ala3_solv_drude.crd

* HEAT & EQUILIBRATE IN CPU RUN USING CHARMM
* USAGE: RUNCHM EQUIL SIZE= SOLUTE= TEMPERATURE=
*  DATE:     8/ 1/18     22:35:16      CREATED BY USER: huang
*
      4642  EXT
         1         1  ALA       N              -4.7646060105       -0.3618371310        0.0735617188  PROA      1               0.0000000000
         2         1  ALA       DN             -4.8886501831       -0.3957909999        0.1049039522  PROA      1               0.0000000000
         3         1  ALA       HT1            -4.7996627453       -1.3304980089       -0.3033583772  PROA      1               0.0000000000
         4         1  ALA       HT2            -5.5731406648        0.1814031522       -0.2908044972  PROA      1               0.0000000000
         5         1  ALA       HT3            -4.8078225044       -0.3922313892        1.1122189962  PROA      1               0.0000000000
         6         1  ALA       CA             -3.5299036142        0.2737327182       -0.3400828345  PROA      1               0.0000000000
         7         1  ALA       DCA            -3.4308773730        0.3271872702       -0.2590839485  PROA      1               0.0000000000
         8         1  ALA       HA             -3.5153127529        0.2901510629       -1.4197270620  PROA      1               0.0000000000
         9         1  ALA       C              -2.3198781260       -0.5058401937        0.1561445430  PROA      1               0.0000000000
        10         1  ALA       DC             -2.3263153814       -0.4978099712        0.1836957048  PROA      1               0.0000000000
        11         1  ALA       O              -2.4667938527       -1.5318232372        0.8163320827  PROA      1               0.0000000000
        12         1  ALA       DO             -2.4424849653       -1.4682152579        0.8280118845  PROA      1               0.0000000000
        13         1  ALA       LPOA           -2.7652209116       -1.5054753931        0.8006134855  PROA      1               0.0000000000
        14         1  ALA       LPOB           -2.1696186928       -1.5669138890        0.8376763648  PROA      1               0.0000000000
        15         1  ALA       CB             -3.4299149442        1.6912740423        0.2128330960  PROA      1               0.0000000000
        16         1  ALA       DCB            -3.4472153010        1.4802596483        0.2844209770  PROA      1               0.0000000000
        17         1  ALA       HB1            -3.4570838426        1.6707513259        1.3233110693  PROA      1               0.0000000000
        18         1  ALA       HB2            -4.2844609172        2.3004910399       -0.1516666352  PROA      1               0.0000000000
        19         1  ALA       HB3            -2.4741319626        2.1565577926       -0.1100351013  PROA      1               0.0000000000
        20         2  ALA       N              -1.1205159558       -0.0143581242       -0.1647236587  PROA      2               0.0000000000
        21         2  ALA       DN             -1.2813159507       -0.1345169790       -0.1074876518  PROA      2               0.0000000000
        22         2  ALA       HN             -1.0164944160        0.8194034912       -0.7011606825  PROA      2               0.0000000000
        23         2  ALA       CA              0.1075572331       -0.6635297000        0.2475968344  PROA      2               0.0000000000
        24         2  ALA       DCA             0.1935518395       -0.5696874527        0.3672870461  PROA      2               0.0000000000
        25         2  ALA       HA              0.1275880234       -0.6818724736        1.3271254342  PROA      2               0.0000000000
        26         2  ALA       C               1.3256456421        0.1019056159       -0.2494680626  PROA      2               0.0000000000
        27         2  ALA       DC              1.2767507796        0.0543873080       -0.2599972428  PROA      2               0.0000000000
        28         2  ALA       O               1.1900744031        1.1293338877       -0.9094298702  PROA      2               0.0000000000
        29         2  ALA       DO              1.2450470398        1.1066038847       -0.9268803225  PROA      2               0.0000000000
        30         2  ALA       LPOA            0.8913757999        1.1064254905       -0.8934813659  PROA      2               0.0000000000
        31         2  ALA       LPOB            1.4876175370        1.1609988817       -0.9310031565  PROA      2               0.0000000000
        32         2  ALA       CB              0.1907339960       -2.0826153909       -0.3050749341  PROA      2               0.0000000000
        33         2  ALA       DCB             0.2307586474       -2.2449789026       -0.3810003311  PROA      2               0.0000000000
        34         2  ALA       HB1             0.1622781999       -2.0621629678       -1.4155220981  PROA      2               0.0000000000
        35         2  ALA       HB2            -0.6701624217       -2.6819835355        0.0608079129  PROA      2               0.0000000000
        36         2  ALA       HB3             1.1416233910       -2.5585933090        0.0166525035  PROA      2               0.0000000000
        37         3  ALA       N               2.5194189668       -0.4030900979        0.0703047645  PROA      3               0.0000000000
        38         3  ALA       DN              2.4004632681       -0.2934653729        0.0472778045  PROA      3               0.0000000000
        39         3  ALA       HN              2.6146182719       -1.2379696471        0.6066464976  PROA      3               0.0000000000
        40         3  ALA       CA              3.7541209950        0.2324797757       -0.3433398009  PROA      3               0.0000000000
        41         3  ALA       DCA             3.8093202153        0.2777607314       -0.3713795325  PROA      3               0.0000000000
        42         3  ALA       HA              3.7729173083        0.2510227182       -1.4228876134  PROA      3               0.0000000000
        43         3  ALA       C               4.9646764310       -0.5463810988        0.1524281238  PROA      3               0.0000000000
        44         3  ALA       DC              4.9369748572       -0.5139813685        0.0811086918  PROA      3               0.0000000000
        45         3  ALA       CB              3.8541095486        1.6500210481        0.2095761286  PROA      3               0.0000000000
        46         3  ALA       DCB             3.7021940311        1.6663613304        0.1970655561  PROA      3               0.0000000000
        47         3  ALA       HB1             3.6471780045        1.6495578793        1.3011348416  PROA      3               0.0000000000
        48         3  ALA       HB2             3.1101233487        2.3049798133       -0.2921885620  PROA      3               0.0000000000
        49         3  ALA       HB3             4.8771663238        2.0497189737        0.0426891723  PROA      3               0.0000000000
        50         3  ALA       OT1             4.7603759641       -1.5918484826        0.8253759284  PROA      3               0.0000000000
        51         3  ALA       DOT1            4.6618006689       -1.5612404907        0.7669545519  PROA      3               0.0000000000
        52         3  ALA       OT2             6.1096790081       -0.1061524759       -0.1352686564  PROA      3               0.0000000000
        53         3  ALA       DOT2            6.1479633058       -0.1643431325       -0.0639633938  PROA      3               0.0000000000
        54         3  ALA       LPT1            5.0655044047       -1.7366351793        0.9172097530  PROA      3               0.0000000000
        55         3  ALA       LPT2            4.4164279355       -1.6457121472        0.8614098613  PROA      3               0.0000000000
        56         3  ALA       LPT3            6.3557293535       -0.3159891058       -0.0013738483  PROA      3               0.0000000000
        57         3  ALA       LPT4            6.0811918459        0.1873326149       -0.3238289475  PROA      3               0.0000000000
        58         4  SWM4      OH2            -5.2011894190       -6.6803279644       -5.5786224268  SOLV      1               0.0000000000
        59         4  SWM4      DOH2           -5.2426238438       -6.6408185990       -5.5290935783  SOLV      1               0.0000000000
        60         4  SWM4      OM             -5.2751535431       -6.9086058514       -5.5921945621  SOLV      1               0.0000000000
        61         4  SWM4      H1             -5.2394401945       -7.3266979320       -4.8736608501  SOLV      1               0.0000000000
        62         4  SWM4      H2             -5.5235380225       -7.1468876127       -6.3497521869  SOLV      1               0.0000000000
        63         5  SWM4      OH2            -1.4951694085       -3.7412879929       -7.2771124541  SOLV      2               0.0000000000
        64         5  SWM4      DOH2           -1.4797544857       -3.7589842871       -7.3868682232  SOLV      2               0.0000000000
        65         5  SWM4      OM             -1.5882428396       -3.7412220010       -7.0555204179  SOLV      2               0.0000000000
        66         5  SWM4      H1             -1.9359005158       -4.4616864970       -6.8265538033  SOLV      2               0.0000000000
        67         5  SWM4      H2             -1.5081994606       -3.0205675714       -6.6473439338  SOLV      2               0.0000000000
        68         6  SWM4      OH2           -11.9093794393       -2.6162279659       -5.4507224747  SOLV      3               0.0000000000
        69         6  SWM4      DOH2          -11.9544050222       -2.5837503858       -5.3693163676  SOLV      3               0.0000000000
        70         6  SWM4      OM            -11.7921304526       -2.8152828562       -5.5170211767  SOLV      3               0.0000000000
        71         6  SWM4      H1            -12.2788595667       -3.4181777746       -5.8202917255  SOLV      3               0.0000000000
        72         6  SWM4      H2            -10.9682712636       -2.7847383622       -5.4043820097  SOLV      3               0.0000000000
        73         7  SWM4      OH2           -14.5887194026       -6.7940079401       -7.9320424265  SOLV      4               0.0000000000
        74         7  SWM4      DOH2          -14.6615731041       -6.8402118906       -7.9623555313  SOLV      4               0.0000000000
        75         7  SWM4      OM            -14.3936320804       -6.9335213858       -7.9476191119  SOLV      4               0.0000000000
        76         7  SWM4      H1            -14.3753689531       -7.5638471900       -7.4047434134  SOLV      4               0.0000000000
        77         7  SWM4      H2            -13.8509603661       -6.7043384610       -8.5352825761  SOLV      4               0.0000000000
        78         8  SWM4      OH2            -4.3836194146        1.3628820305       -7.0650724204  SOLV      5               0.0000000000
        79         8  SWM4      DOH2           -4.3490626920        1.5078805541       -7.1489722985  SOLV      5               0.0000000000
        80         8  SWM4      OM             -4.2992397679        1.1794173997       -6.9347402615  SOLV      5               0.0000000000
        81         8  SWM4      H1             -3.7639815670        0.6863552659       -7.3381532260  SOLV      5               0.0000000000
        82         8  SWM4      H2             -4.5918815581        1.1449636338       -6.1565825744  SOLV      5               0.0000000000
        83         9  SWM4      OH2            -6.8117493716       -4.2481879835       -5.1725224186  SOLV      6               0.0000000000
        84         9  SWM4      DOH2           -6.9477710008       -4.2612851451       -5.0182185814  SOLV      6               0.0000000000
        85         9  SWM4      OM             -6.6014689700       -4.3644854895       -5.1677616160  SOLV      6               0.0000000000
        86         9  SWM4      H1             -6.5079609240       -4.9340475548       -5.7671121791  SOLV      6               0.0000000000
        87         9  SWM4      H2             -6.0903501637       -4.1293178929       -4.5547218228  SOLV      6               0.0000000000
        88        10  SWM4      OH2             1.8512305912      -12.6466579399       -4.3119024318  SOLV      7               0.0000000000
        89        10  SWM4      DOH2            1.6779750536      -12.7148861437       -4.3843337578  SOLV      7               0.0000000000
        90        10  SWM4      OM              1.9486040531      -12.4269378643       -4.3092319819  SOLV      7               0.0000000000
        91        10  SWM4      H1              1.9004492716      -12.0365387183       -3.5759933983  SOLV      7               0.0000000000
        92        10  SWM4      H2              2.2767394847      -12.1855687483       -5.0347921997  SOLV      7               0.0000000000
        93        11  SWM4      OH2            -3.6710494247       -9.8539479782       -4.8450424245  SOLV      8               0.0000000000
        94        11  SWM4      DOH2           -3.7960597532       -9.7864142876       -4.6298146439  SOLV      8               0.0000000000
        95        11  SWM4      OM             -3.6635648829      -10.0055929479       -5.0313579368  SOLV      8               0.0000000000
        96        11  SWM4      H1             -3.5284594611      -10.8002462976       -4.8248806955  SOLV      8               0.0000000000
        97        11  SWM4      H2             -3.7771501018       -9.6469667743       -5.7735510282  SOLV      8               0.0000000000
        98        12  SWM4      OH2           -10.5162194750      -11.7523079759       -7.5725624565  SOLV      9               0.0000000000
        99        12  SWM4      DOH2          -10.5888304223      -11.7586455427       -7.4650265105  SOLV      9               0.0000000000
       100        12  SWM4      OM            -10.6012344735      -11.6892728354       -7.7883508894  SOLV      9               0.0000000000
       101        12  SWM4      H1            -10.4731096333      -10.8924579848       -7.9909325969  SOLV      9               0.0000000000
       102        12  SWM4      H2            -10.9738097341      -12.3048382495       -8.2062412960  SOLV      9               0.0000000000
       103        13  SWM4      OH2            -2.7939494066      -11.6217479148       -9.1717324673  SOLV      10              0.0000000000
       104        13  SWM4      DOH2           -2.8564395917      -11.6818478728       -9.2398293108  SOLV      10              0.0000000000
       105        13  SWM4      OM             -2.5567592695      -11.5829362535       -9.1713427810  SOLV      10              0.0000000000
       106        13  SWM4      H1             -2.1475215403      -11.9504280856       -8.5469733843  SOLV      10              0.0000000000
       107        13  SWM4      H2             -2.2840120078      -11.1038503714       -9.7945920510  SOLV      10              0.0000000000
       108        14  SWM4      OH2           -13.8960693317       -9.3557279401       -6.8104223955  SOLV      11              0.0000000000
       109        14  SWM4      DOH2          -13.9244475820       -9.3332163523       -6.7828697274  SOLV      11              0.0000000000
       110        14  SWM4      OM            -13.7570855717       -9.5247287222       -6.9098604323  SOLV      11              0.0000000000
       111        14  SWM4      H1            -13.2424112858       -9.9055571666       -6.3784123820  SOLV      11              0.0000000000
       112        14  SWM4      H2            -13.8721396742       -9.6298276483       -7.7272221964  SOLV      11              0.0000000000
       113        15  SWM4      OH2            -8.7396194447       -7.8055979670       -7.5952724518  SOLV      12              0.0000000000
       114        15  SWM4      DOH2           -8.7946548246       -7.7489644112       -7.5380884831  SOLV      12              0.0000000000
       115        15  SWM4      OM             -8.7334704217       -8.0448829255       -7.5735794251  SOLV      12              0.0000000000
       116        15  SWM4      H1             -8.1235210714       -8.3320571487       -7.0858733140  SOLV      12              0.0000000000
       117        15  SWM4      H2             -9.3257401661       -8.4457257417       -7.9989115483  SOLV      12              0.0000000000
       118        16  SWM4      OH2             2.2426906025      -11.1687380617       -2.0759224308  SOLV      13              0.0000000000
       119        16  SWM4      DOH2            2.3248360488      -11.1206414299       -2.0657560770  SOLV      13              0.0000000000
       120        16  SWM4      OM              2.1046332360      -11.0742095721       -1.9033818257  SOLV      13              0.0000000000
       121        16  SWM4      H1              1.5541515748      -10.5106671109       -2.1712625735  SOLV      13              0.0000000000
       122        16  SWM4      H2              2.2581491499      -11.3659484931       -1.1393834667  SOLV      13              0.0000000000
       123        17  SWM4      OH2           -11.7060293902      -12.8344679890       -3.4984824546  SOLV      14              0.0000000000
       124        17  SWM4      DOH2          -11.6974694620      -12.8398470260       -3.5166984407  SOLV      14              0.0000000000
       125        17  SWM4      OM            -11.8879149311      -12.6792746877       -3.5229447570  SOLV      14              0.0000000000
       126        17  SWM4      H1            -11.9248601840      -12.3044096651       -4.2648817230  SOLV      14              0.0000000000
       127        17  SWM4      H2            -12.3739388781      -12.6079181420       -2.8513436399  SOLV      14              0.0000000000
       128        18  SWM4      OH2            -4.3370494246       -3.3343579733       -9.9545724285  SOLV      15              0.0000000000
       129        18  SWM4      DOH2           -4.1864358569       -3.3040262297       -9.9096923100  SOLV      15              0.0000000000
       130        18  SWM4      OM             -4.4641599519       -3.2160278761      -10.1207247045  SOLV      15              0.0000000000
       131        18  SWM4      H1             -4.6325367199       -3.6571291500      -10.8058823176  SOLV      15              0.0000000000
       132        18  SWM4      H2             -4.6612690556       -2.4346870962       -9.9133115370  SOLV      15              0.0000000000
       133        19  SWM4      OH2            -9.1368893739       -5.1588979818       -3.2111124355  SOLV      16              0.0000000000
       134        19  SWM4      DOH2           -9.1497705419       -5.3321848275       -3.1726677943  SOLV      16              0.0000000000
       135        19  SWM4      OM             -9.1422510534       -4.9225847814       -3.2546212151  SOLV      16              0.0000000000
       136        19  SWM4      H1             -9.8769793226       -4.5607488639       -3.1075923534  SOLV      16              0.0000000000
       137        19  SWM4      H2             -8.4229390372       -4.6049406355       -3.5267526032  SOLV      16              0.0000000000
       138        20  SWM4      OH2            -1.0301094882      -12.3308178457       -7.1911422244  SOLV      17              0.0000000000
       139        20  SWM4      DOH2           -1.0508797197      -12.3453886760       -7.1858824780  SOLV      17              0.0000000000
       140        20  SWM4      OM             -0.9397479353      -12.3909577905       -6.9767046389  SOLV      17              0.0000000000
       141        20  SWM4      H1             -1.2453086934      -13.0964766247       -6.6585418388  SOLV      17              0.0000000000
       142        20  SWM4      H2             -0.3743710848      -11.8583583242       -6.6782923577  SOLV      17              0.0000000000
       143        21  SWM4      OH2           -12.1122994300      -10.9422879922       -5.5462624749  SOLV      18              0.0000000000
       144        21  SWM4      DOH2          -12.2890572001      -10.9626715113       -5.5557958664  SOLV      18              0.0000000000
       145        21  SWM4      OM            -11.8814013030      -10.9094161373       -5.6043244019  SOLV      18              0.0000000000
       146        21  SWM4      H1            -11.4986710665      -10.3095278342       -5.1730223957  SOLV      18              0.0000000000
       147        21  SWM4      H2            -11.6002319822      -11.4147883162       -6.2025718146  SOLV      18              0.0000000000
       148        22  SWM4      OH2           -10.7294593625       -3.1945979951       -2.4239624419  SOLV      19              0.0000000000
       149        22  SWM4      DOH2          -10.7095399876       -3.4104572838       -2.3461440167  SOLV      19              0.0000000000
       150        22  SWM4      OM            -10.9056174760       -3.0313759249       -2.4143384221  SOLV      19              0.0000000000
       151        22  SWM4      H1            -10.7346995419       -2.3152470083       -2.8020313056  SOLV      19              0.0000000000
       152        22  SWM4      H2            -11.5830474401       -3.2781873258       -1.9989732645  SOLV      19              0.0000000000
       153        23  SWM4      OH2           -14.6083693381       -3.5238079728      -11.6420324304  SOLV      20              0.0000000000
       154        23  SWM4      DOH2          -14.6271137853       -3.5719025377      -11.7241637282  SOLV      20              0.0000000000
       155        23  SWM4      OM            -14.6547952804       -3.3049541881      -11.7298581531  SOLV      20              0.0000000000
       156        23  SWM4      H1            -14.8802790680       -3.2947080746      -12.5307407535  SOLV      20              0.0000000000
       157        23  SWM4      H2            -14.5628002581       -2.6859260503      -11.1815017885  SOLV      20              0.0000000000
       158        24  SWM4      OH2            -0.9833994089       -1.9022179672       -4.9291824404  SOLV      21              0.0000000000
       159        24  SWM4      DOH2           -0.9142433368       -1.9593586507       -4.9160912021  SOLV      21              0.0000000000
       160        24  SWM4      OM             -1.1198055373       -1.7043961861       -4.9241242590  SOLV      21              0.0000000000
       161        24  SWM4      H1             -1.9250285484       -1.8438281427       -4.7674930088  SOLV      21              0.0000000000
       162        24  SWM4      H2             -0.7067895248       -0.9961695537       -5.0662117696  SOLV      21              0.0000000000
       163        25  SWM4      OH2            -0.6826994084      -13.6156879732       -3.5117924497  SOLV      22              0.0000000000
       164        25  SWM4      DOH2           -0.6805238569      -13.6247190620       -3.5694881867  SOLV      22              0.0000000000
       165        25  SWM4      OM             -0.6935049103      -13.4053193789       -3.6275247726  SOLV      22              0.0000000000
       166        25  SWM4      H1             -1.4187801805      -13.0049767321       -3.5496630921  SOLV      22              0.0000000000
       167        25  SWM4      H2              0.0007012749      -13.2007882096       -4.0381522112  SOLV      22              0.0000000000
       168        26  SWM4      OH2            -7.6795593850      -15.5289579482       -6.0459924223  SOLV      23              0.0000000000
       169        26  SWM4      DOH2           -7.6769304196      -15.5136546655       -6.1243261413  SOLV      23              0.0000000000
       170        26  SWM4      OM             -7.8790474529      -15.6552652761       -6.0010848010  SOLV      23              0.0000000000
       171        26  SWM4      H1             -7.7971408149      -16.4773581529       -6.1001628829  SOLV      23              0.0000000000
       172        26  SWM4      H2             -8.5345497487      -15.1963485432       -5.7728820075  SOLV      23              0.0000000000
       173        27  SWM4      OH2            -2.7312794114       -0.1208679747       -8.3040224631  SOLV      24              0.0000000000
       174        27  SWM4      DOH2           -2.6726639242       -0.0499962393       -8.2896883741  SOLV      24              0.0000000000
       175        27  SWM4      OM             -2.5790377754       -0.1015750130       -8.4889979183  SOLV      24              0.0000000000
       176        27  SWM4      H1             -2.3060487673       -0.8280770147       -8.7890622445  SOLV      24              0.0000000000
       177        27  SWM4      H2             -2.4142799818        0.6804007936       -8.7208012745  SOLV      24              0.0000000000
       178        28  SWM4      OH2            -1.5716294061       -2.2200179645       -9.7953624271  SOLV      25              0.0000000000
       179        28  SWM4      DOH2           -1.4501895535       -2.0893585637       -9.8155035879  SOLV      25              0.0000000000
       180        28  SWM4      OM             -1.6098709001       -2.4523883627       -9.7473283489  SOLV      25              0.0000000000
       181        28  SWM4      H1             -1.8291482940       -2.9100063160      -10.4067726299  SOLV      25              0.0000000000
       182        28  SWM4      H2             -1.5005473951       -2.6628967228       -8.9497733880  SOLV      25              0.0000000000
       183        29  SWM4      OH2            -5.4130694106       -6.6913979661      -11.5454123595  SOLV      26              0.0000000000
       184        29  SWM4      DOH2           -5.4068375663       -6.7018121674      -11.5309616714  SOLV      26              0.0000000000
       185        29  SWM4      OM             -5.4172725748       -6.5703426697      -11.7530026254  SOLV      26              0.0000000000
       186        29  SWM4      H1             -6.1245207283       -6.1564294117      -11.8973622036  SOLV      26              0.0000000000
       187        29  SWM4      H2             -4.7221100547       -6.6361883737      -12.2055224445  SOLV      26              0.0000000000
       188        30  SWM4      OH2            -5.3591493951       -8.2339680081      -14.5069124136  SOLV      27              0.0000000000
       189        30  SWM4      DOH2           -5.3345707265       -8.2541285887      -14.5986249175  SOLV      27              0.0000000000
       190        30  SWM4      OM             -5.1533628709       -8.3581317181      -14.5078702624  SOLV      27              0.0000000000
       191        30  SWM4      H1             -4.6581592330       -8.2112789004      -13.8555126388  SOLV      27              0.0000000000
       192        30  SWM4      H2             -5.0568602257       -8.8619979019      -15.1629817169  SOLV      27              0.0000000000
       193        31  SWM4      OH2             1.9563205856       -7.3135479388       -3.2519724380  SOLV      28              0.0000000000
       194        31  SWM4      DOH2            1.8357010229       -7.3558815046       -3.1703154227  SOLV      28              0.0000000000
       195        31  SWM4      OM              1.9178501412       -7.1279934848       -3.3998075237  SOLV      28              0.0000000000
       196        31  SWM4      H1              1.3037330981       -6.6189900442       -3.1628813973  SOLV      28              0.0000000000
       197        31  SWM4      H2              2.4213508351       -7.1034591135       -4.0618148031  SOLV      28              0.0000000000
       198        32  SWM4      OH2            -2.1099494026       -8.3078079370       -1.5261224313  SOLV      29              0.0000000000
       199        32  SWM4      DOH2           -2.1278076093       -8.3257284367       -1.4361603150  SOLV      29              0.0000000000
       200        32  SWM4      OM             -2.2168796908       -8.0939403246       -1.5504575398  SOLV      29              0.0000000000
       201        32  SWM4      H1             -2.0300410669       -7.5443698971       -0.9542752616  SOLV      29              0.0000000000
       202        32  SWM4      H2             -2.7111789575       -8.0285699805       -2.2166117806  SOLV      29              0.0000000000
       203        33  SWM4      OH2           -10.3619294058       -5.8514479878       -8.7113224689  SOLV      30              0.0000000000
       204        33  SWM4      DOH2          -10.4065390214       -5.8535383011       -8.6701238617  SOLV      30              0.0000000000
       205        33  SWM4      OM            -10.3090244101       -6.0650245067       -8.8080270391  SOLV      30              0.0000000000
       206        33  SWM4      H1            -10.6924084128       -6.2221073839       -9.5296206146  SOLV      30              0.0000000000
       207        33  SWM4      H2             -9.7735202027       -6.5220478056       -8.3644923775  SOLV      30              0.0000000000
       208        34  SWM4      OH2            -8.9951793709       -2.4233879766       -6.0301024288  SOLV      31              0.0000000000
       209        34  SWM4      DOH2           -8.9796625070       -2.3937522005       -6.0000127066  SOLV      31              0.0000000000
       210        34  SWM4      OM             -8.8650372759       -2.6182699665       -6.0834849495  SOLV      31              0.0000000000
       211        34  SWM4      H1             -9.0900493957       -3.0020769825       -6.7866413191  SOLV      31              0.0000000000
       212        34  SWM4      H2             -8.2658201114       -2.7948178535       -5.5338219418  SOLV      31              0.0000000000
       213        35  SWM4      OH2            -9.9953794402       -7.0828880035       -5.0778224615  SOLV      32              0.0000000000
       214        35  SWM4      DOH2          -10.0380941287       -7.2244096757       -4.9738781396  SOLV      32              0.0000000000
       215        35  SWM4      OM             -9.8140311287       -6.9272237985       -5.1032621371  SOLV      32              0.0000000000
       216        35  SWM4      H1             -9.4301291632       -6.9614672563       -5.8407012073  SOLV      32              0.0000000000
       217        35  SWM4      H2             -9.6764906485       -6.4453889892       -4.4389711987  SOLV      32              0.0000000000
       218        36  SWM4      OH2            -3.6861594174       -1.5796979759       -4.3437724405  SOLV      33              0.0000000000
       219        36  SWM4      DOH2           -3.6425783602       -1.5725965958       -4.2778609340  SOLV      33              0.0000000000
       220        36  SWM4      OM             -3.7761063127       -1.6150123896       -4.1237085184  SOLV      33              0.0000000000
       221        36  SWM4      H1             -3.9265002267       -0.9173880231       -3.6958509832  SOLV      33              0.0000000000
       222        36  SWM4      H2             -3.8843384567       -2.4141767877       -3.9188116297  SOLV      33              0.0000000000
       223        37  SWM4      OH2            -9.1153094296       -2.6836179878       -0.3606324397  SOLV      34              0.0000000000
       224        37  SWM4      DOH2           -9.0707698656       -2.7677985006       -0.3403223411  SOLV      34              0.0000000000
       225        37  SWM4      OM             -9.3124720769       -2.5545533415       -0.4079069138  SOLV      34              0.0000000000
       226        37  SWM4      H1             -9.4265575834       -1.9012966848        0.0946896141  SOLV      34              0.0000000000
       227        37  SWM4      H2             -9.7652891822       -2.8367099746       -1.0464314340  SOLV      34              0.0000000000
       228        38  SWM4      OH2            -3.1363494029       -7.3197780098      -12.9087025187  SOLV      35              0.0000000000
       229        38  SWM4      DOH2           -3.2211929070       -7.3192789904      -12.9319299784  SOLV      35              0.0000000000
       230        38  SWM4      OM             -2.9325601996       -7.1924502121      -12.9038763164  SOLV      35              0.0000000000
       231        38  SWM4      H1             -2.5567996943       -7.1697469336      -12.1618134439  SOLV      35              0.0000000000
       232        38  SWM4      H2             -2.7223494737       -6.8490378909      -13.6320629728  SOLV      35              0.0000000000
       233        39  SWM4      OH2           -12.1953194223       -6.4855079869       -1.1320624333  SOLV      36              0.0000000000
       234        39  SWM4      DOH2          -12.1655729688       -6.5547605498       -1.1935751886  SOLV      36              0.0000000000
       235        39  SWM4      OM            -12.3636087016       -6.3309682229       -1.0574845716  SOLV      36              0.0000000000
       236        39  SWM4      H1            -12.1249989410       -5.8348286483       -0.4335634742  SOLV      36              0.0000000000
       237        39  SWM4      H2            -13.0861006272       -6.3827605406       -1.4669721290  SOLV      36              0.0000000000
       238        40  SWM4      OH2            -5.4098594305       -0.5829279720       -9.4733924546  SOLV      37              0.0000000000
       239        40  SWM4      DOH2           -5.3626751393       -0.6528005581       -9.5246068097  SOLV      37              0.0000000000
       240        40  SWM4      OM             -5.4281778782       -0.3708846087       -9.3617334581  SOLV      37              0.0000000000
       241        40  SWM4      H1             -4.9360998274       -0.2872976545       -8.6959732739  SOLV      37              0.0000000000
       242        40  SWM4      H2             -5.9729282586        0.1552313980       -9.7064332021  SOLV      37              0.0000000000
       243        41  SWM4      OH2           -10.8757194284       -0.6121179712        0.4027475613  SOLV      38              0.0000000000
       244        41  SWM4      DOH2          -10.8071374389       -0.6894593186        0.3682228173  SOLV      38              0.0000000000
       245        41  SWM4      OM            -11.0620519877       -0.6640571990        0.2601005994  SOLV      38              0.0000000000
       246        41  SWM4      H1            -10.8681894918       -0.7481479013       -0.5447010162  SOLV      38              0.0000000000
       247        41  SWM4      H2            -11.7916794346       -0.7293081344        0.6547475317  SOLV      38              0.0000000000
       248        42  SWM4      OH2             0.5624905863      -15.5697379572      -13.0957324210  SOLV      39              0.0000000000
       249        42  SWM4      DOH2            0.6148873531      -15.6162166578      -13.1004052422  SOLV      39              0.0000000000
       250        42  SWM4      OM              0.4295579389      -15.3707028945      -13.1176325153  SOLV      39              0.0000000000
       251        42  SWM4      H1             -0.3374395598      -15.4308393840      -12.8006726183  SOLV      39              0.0000000000
       252        42  SWM4      H2              0.8143325998      -14.7382781949      -13.4975618371  SOLV      39              0.0000000000
       253        43  SWM4      OH2           -11.3716593716       -6.7820179776      -11.1220424039  SOLV      40              0.0000000000
       254        43  SWM4      DOH2          -11.4473966200       -6.8643309956      -11.0993013542  SOLV      40              0.0000000000
       255        43  SWM4      OM            -11.5698713161       -6.7597037833      -11.2561313916  SOLV      40              0.0000000000
       256        43  SWM4      H1            -11.6635300971       -6.0138480015      -11.6129123581  SOLV      40              0.0000000000
       257        43  SWM4      H2            -12.0461401749       -7.4413987309      -11.2849021563  SOLV      40              0.0000000000
       258        44  SWM4      OH2           -15.2786494317       -4.4190979634       -2.3070624383  SOLV      41              0.0000000000
       259        44  SWM4      DOH2          -15.2646693317       -4.4553481365       -2.2363764511  SOLV      41              0.0000000000
       260        44  SWM4      OM            -15.3803435462       -4.6106226628       -2.4107073978  SOLV      41              0.0000000000
       261        44  SWM4      H1            -15.7798102927       -4.4471591490       -3.1220935161  SOLV      41              0.0000000000
       262        44  SWM4      H2            -15.2732789932       -5.3247790961       -1.9973327603  SOLV      41              0.0000000000
       263        45  SWM4      OH2           -15.5283793628       -1.6387179727       -5.4230424367  SOLV      42              0.0000000000
       264        45  SWM4      DOH2          -15.5093148410       -1.5779421718       -5.3516859258  SOLV      42              0.0000000000
       265        45  SWM4      OM            -15.3573768384       -1.5074483262       -5.3167783786  SOLV      42              0.0000000000
       266        45  SWM4      H1            -14.5823198123       -1.7830155909       -5.4420905302  SOLV      42              0.0000000000
       267        45  SWM4      H2            -15.6407475615       -0.8544397453       -4.8859237735  SOLV      42              0.0000000000
       268        46  SWM4      OH2            -5.9375494020        2.3735420286      -11.0584723888  SOLV      43              0.0000000000
       269        46  SWM4      DOH2           -5.8628469326        2.4281084323      -10.9891761617  SOLV      43              0.0000000000
       270        46  SWM4      OM             -5.9462732218        2.5433764612      -11.2283131625  SOLV      43              0.0000000000
       271        46  SWM4      H1             -6.0129508911        2.2522619889      -12.0049530464  SOLV      43              0.0000000000
       272        46  SWM4      H2             -5.9046790979        3.3228118941      -10.9400121476  SOLV      43              0.0000000000
       273        47  SWM4      OH2           -12.2841694179        1.1622420269       -9.2775724588  SOLV      44              0.0000000000
       274        47  SWM4      DOH2          -12.3046670535        1.1845010665       -9.2589569562  SOLV      44              0.0000000000
       275        47  SWM4      OM            -12.4275282736        1.0177942485       -9.1497101674  SOLV      44              0.0000000000
       276        47  SWM4      H1            -12.1321294863        0.8142824813       -8.3989229041  SOLV      44              0.0000000000
       277        47  SWM4      H2            -13.1351294150        0.8059729878       -9.5328530582  SOLV      44              0.0000000000
       278        48  SWM4      OH2            -2.8359494085        1.5275620297      -14.0562324267  SOLV      45              0.0000000000
       279        48  SWM4      DOH2           -2.8463154513        1.5696654139      -14.0786491644  SOLV      45              0.0000000000
       280        48  SWM4      OM             -2.7581670760        1.3195067520      -13.9644251005  SOLV      45              0.0000000000
       281        48  SWM4      H1             -2.4611080560        0.7831722141      -14.5269729965  SOLV      45              0.0000000000
       282        48  SWM4      H2             -2.8315785294        1.2576208845      -13.1379044655  SOLV      45              0.0000000000
       283        49  SWM4      OH2            -3.1671393929        1.4532720349      -11.3070124037  SOLV      46              0.0000000000
       284        49  SWM4      DOH2           -3.0933786374        1.5369594868      -11.2528679592  SOLV      46              0.0000000000
       285        49  SWM4      OM             -3.3014545090        1.3283142506      -11.1517362957  SOLV      46              0.0000000000
       286        49  SWM4      H1             -4.1021569093        1.5534632369      -11.1283124508  SOLV      46              0.0000000000
       287        49  SWM4      H2             -2.8869488859        0.7438735685      -10.7286931800  SOLV      46              0.0000000000
       288        50  SWM4      OH2            -0.1785494106       -9.4794979247        0.7395475650  SOLV      47              0.0000000000
       289        50  SWM4      DOH2           -0.1545775109       -9.5094270474        0.7099511484  SOLV      47              0.0000000000
       290        50  SWM4      OM             -0.2537760106       -9.5666400021        0.5285666953  SOLV      47              0.0000000000
       291        50  SWM4      H1             -0.5858686382       -8.9989392743        0.0188778031  SOLV      47              0.0000000000
       292        50  SWM4      H2             -0.1379802655      -10.3848976030        0.4316286709  SOLV      47              0.0000000000
       293        51  SWM4      OH2           -13.0295994877       -3.0955579711       -1.2637824320  SOLV      48              0.0000000000
       294        51  SWM4      DOH2          -12.9547619671       -3.0691866640       -1.2777714581  SOLV      48              0.0000000000
       295        51  SWM4      OM            -13.1607492908       -3.2465342119       -1.1304725560  SOLV      48              0.0000000000
       296        51  SWM4      H1            -12.8134695218       -3.4569967107       -0.4042036934  SOLV      48              0.0000000000
       297        51  SWM4      H2            -13.8851283510       -3.4701777977       -1.4734316985  SOLV      48              0.0000000000
       298        52  SWM4      OH2           -10.4107994377      -14.6255079039       -5.2683624288  SOLV      49              0.0000000000
       299        52  SWM4      DOH2          -10.3931559450      -14.6597161112       -5.2690712677  SOLV      49              0.0000000000
       300        52  SWM4      OM            -10.5921300604      -14.4678123702       -5.2642498970  SOLV      49              0.0000000000
       301        52  SWM4      H1            -11.2724286223      -14.7126870444       -5.6760721578  SOLV      49              0.0000000000
       302        52  SWM4      H2            -10.4332300236      -13.7694992140       -4.8406023013  SOLV      49              0.0000000000
       303        53  SWM4      OH2            -5.7480193848      -14.9034678902       -1.8936624401  SOLV      50              0.0000000000
       304        53  SWM4      DOH2           -5.7598153538      -14.9148359886       -1.8688507282  SOLV      50              0.0000000000
       305        53  SWM4      OM             -5.8531870549      -15.0252974331       -1.7151601115  SOLV      50              0.0000000000
       306        53  SWM4      H1             -5.3277087577      -15.3187597510       -1.1406009101  SOLV      50              0.0000000000
       307        53  SWM4      H2             -6.6810589621      -15.0821374224       -1.7764620091  SOLV      50              0.0000000000
       308        54  SWM4      OH2            -2.4215294094      -11.1479479022       -1.0402124303  SOLV      51              0.0000000000
       309        54  SWM4      DOH2           -2.4273513989      -11.0731998154       -1.0670362080  SOLV      51              0.0000000000
       310        54  SWM4      OM             -2.5588702686      -10.9866196005       -0.9267387310  SOLV      51              0.0000000000
       311        54  SWM4      H1             -2.9355812495      -11.2737269469       -0.2426100895  SOLV      51              0.0000000000
       312        54  SWM4      H2             -2.5770604273      -10.2356392210       -1.2845922063  SOLV      51              0.0000000000
       313        55  SWM4      OH2            -1.6590394134       -6.2869480035      -15.2789124527  SOLV      52              0.0000000000
       314        55  SWM4      DOH2           -1.5653292728       -6.2874644614      -15.2923606668  SOLV      52              0.0000000000
       315        55  SWM4      OM             -1.4762230913       -6.2508273022      -15.4306990385  SOLV      52              0.0000000000
       316        55  SWM4      H1             -1.6169586396       -6.5095572579      -16.2089120592  SOLV      52              0.0000000000
       317        55  SWM4      H2             -0.8098282741       -5.8882382420      -15.0889243309  SOLV      52              0.0000000000
       318        56  SWM4      OH2            -6.0862894362      -12.4111280723      -14.6085824937  SOLV      53              0.0000000000
       319        56  SWM4      DOH2           -6.0818349712      -12.3809111411      -14.6191557816  SOLV      53              0.0000000000
       320        56  SWM4      OM             -6.1909618800      -12.5859480752      -14.4811177893  SOLV      53              0.0000000000
       321        56  SWM4      H1             -6.3398090789      -12.3919679092      -13.6857735350  SOLV      53              0.0000000000
       322        56  SWM4      H2             -6.3430792612      -13.2825888034      -14.9099639829  SOLV      53              0.0000000000
       323        57  SWM4      OH2           -10.3197894249       -9.6600579879       -4.1733424326  SOLV      54              0.0000000000
       324        57  SWM4      DOH2          -10.3562752622       -9.6210428395       -4.1533355831  SOLV      54              0.0000000000
       325        57  SWM4      OM            -10.4438001348       -9.4782851407       -4.0766694850  SOLV      54              0.0000000000
       326        57  SWM4      H1            -10.9615799611       -9.7003282001       -3.4643339737  SOLV      54              0.0000000000
       327        57  SWM4      H2            -10.2825897828       -8.7335892894       -4.4110401638  SOLV      54              0.0000000000
       328        58  SWM4      OH2            -4.7873293734       -9.0230179497      -10.4442624514  SOLV      55              0.0000000000
       329        58  SWM4      DOH2           -4.6807939104       -9.0741829253      -10.4269740899  SOLV      55              0.0000000000
       330        58  SWM4      OM             -4.7234065506       -8.8845947226      -10.6300540451  SOLV      55              0.0000000000
       331        58  SWM4      H1             -5.1962991111       -8.2081578444      -10.7357826553  SOLV      55              0.0000000000
       332        58  SWM4      H2             -4.0667093306       -9.1630079322      -11.0585524486  SOLV      55              0.0000000000
       333        59  SWM4      OH2            -3.7825594174       -9.5769779813       -7.6302924452  SOLV      56              0.0000000000
       334        59  SWM4      DOH2           -3.7965959811       -9.6351554186       -7.4855655587  SOLV      56              0.0000000000
       335        59  SWM4      OM             -3.7854907502       -9.6237033426       -7.8660334360  SOLV      56              0.0000000000
       336        59  SWM4      H1             -3.9781094274       -8.9712987436       -8.3452323421  SOLV      56              0.0000000000
       337        59  SWM4      H2             -3.6013008539      -10.4104576569       -8.0646611164  SOLV      56              0.0000000000
       338        60  SWM4      OH2           -12.5697393910       -9.3397079783       -2.3061424266  SOLV      57              0.0000000000
       339        60  SWM4      DOH2          -12.6082287419       -9.3314008203       -2.3447430126  SOLV      57              0.0000000000
       340        60  SWM4      OM            -12.6782349591       -9.4251583543       -2.1094380301  SOLV      57              0.0000000000
       341        60  SWM4      H1            -12.6078005029       -8.9395479903       -1.4374338299  SOLV      57              0.0000000000
       342        60  SWM4      H2            -13.0606297033      -10.1564661780       -2.2158531139  SOLV      57              0.0000000000
       343        61  SWM4      OH2           -15.9616594010      -12.2235280298       -8.4556724920  SOLV      58              0.0000000000
       344        61  SWM4      DOH2          -15.9672246673      -12.2174250955       -8.4916289456  SOLV      58              0.0000000000
       345        61  SWM4      OM            -15.7400928086      -12.3166342726       -8.4579328070  SOLV      58              0.0000000000
       346        61  SWM4      H1            -15.3308890375      -12.2523175306       -7.7362829050  SOLV      58              0.0000000000
       347        61  SWM4      H2            -15.5122298320      -12.6486582614       -9.1860822376  SOLV      58              0.0000000000
       348        62  SWM4      OH2           -14.6874494470      -11.4773279922      -13.0316324394  SOLV      59              0.0000000000
       349        62  SWM4      DOH2          -14.7394351832      -11.4671816845      -12.9310713248  SOLV      59              0.0000000000
       350        62  SWM4      OM            -14.7373314950      -11.2473358708      -13.0804289689  SOLV      59              0.0000000000
       351        62  SWM4      H1            -14.2132802348      -10.8863376558      -13.6165408586  SOLV      59              0.0000000000
       352        62  SWM4      H2            -15.4048090534      -10.9470374371      -12.6846213124  SOLV      59              0.0000000000
       353        63  SWM4      OH2            -4.5186393961       -7.9388480045       -2.9590524533  SOLV      60              0.0000000000
       354        63  SWM4      DOH2           -4.6284453847       -7.7437125516       -3.0012152191  SOLV      60              0.0000000000
       355        63  SWM4      OM             -4.5425536575       -8.1779722971       -2.9554033303  SOLV      60              0.0000000000
       356        63  SWM4      H1             -4.1951588786       -8.5698757852       -3.6020030335  SOLV      60              0.0000000000
       357        63  SWM4      H2             -4.9587093185       -8.4736272321       -2.2983112308  SOLV      60              0.0000000000
       358        64  SWM4      OH2            -7.7413494210      -12.0112980036       -8.1749323993  SOLV      61              0.0000000000
       359        64  SWM4      DOH2           -7.7584033612      -12.0954787605       -8.1165468310  SOLV      61              0.0000000000
       360        64  SWM4      OM             -7.8245436220      -12.0120711954       -7.9494468054  SOLV      61              0.0000000000
       361        64  SWM4      H1             -8.6522380458      -11.9546175784       -7.8863310057  SOLV      61              0.0000000000
       362        64  SWM4      H2             -7.2360616979      -12.0717482189       -7.3642125670  SOLV      61              0.0000000000
       363        65  SWM4      OH2            -3.3361594232      -12.7766679626       -4.9107524430  SOLV      62              0.0000000000
       364        65  SWM4      DOH2           -3.2524854891      -12.7699809510       -4.8817612365  SOLV      62              0.0000000000
       365        65  SWM4      OM             -3.5745748957      -12.7815374128       -4.9407526415  SOLV      62              0.0000000000
       366        65  SWM4      H1             -4.0129981177      -12.6453576831       -4.2467830687  SOLV      62              0.0000000000
       367        65  SWM4      H2             -3.8216683677      -12.9317181905       -5.7209819821  SOLV      62              0.0000000000
       368        66  SWM4      OH2            -0.0486494111        2.8948720309        1.3660075596  SOLV      63              0.0000000000
       369        66  SWM4      DOH2           -0.0147003280        2.9843928797        1.3625076287  SOLV      63              0.0000000000
       370        66  SWM4      OM              0.1267741034        3.0524032259        1.3193579134  SOLV      63              0.0000000000
       371        66  SWM4      H1              0.1512201587        3.3190604690        0.5315351064  SOLV      63              0.0000000000
       372        66  SWM4      H2              0.6067201370        3.2386926144        1.9730497108  SOLV      63              0.0000000000
       373        67  SWM4      OH2           -12.4506694419       -4.6309979607        0.9740575600  SOLV      64              0.0000000000
       374        67  SWM4      DOH2          -12.4505968751       -4.6520431677        0.9914419597  SOLV      64              0.0000000000
       375        67  SWM4      OM            -12.4604921305       -4.5368232753        1.1949654975  SOLV      64              0.0000000000
       376        67  SWM4      H1            -11.7184298593       -4.3764086224        1.5355071010  SOLV      64              0.0000000000
       377        67  SWM4      H2            -13.2307974329       -4.4264587938        1.4895976664  SOLV      64              0.0000000000
       378        68  SWM4      OH2            -6.4213793877       -9.2239980176       -6.2879724560  SOLV      65              0.0000000000
       379        68  SWM4      DOH2           -6.4058548817       -9.1301980391       -6.2304474403  SOLV      65              0.0000000000
       380        68  SWM4      OM             -6.3359113495       -9.4430928910       -6.2383915342  SOLV      65              0.0000000000
       381        68  SWM4      H1             -5.8570386302       -9.7703374300       -6.8350107891  SOLV      65              0.0000000000
       382        68  SWM4      H2             -6.5690391265       -9.7458077051       -5.4992132339  SOLV      65              0.0000000000
       383        69  SWM4      OH2           -11.4194093681      -13.0873879652       -9.8694923761  SOLV      66              0.0000000000
       384        69  SWM4      DOH2          -11.4201594635      -13.0833733343       -9.7796791194  SOLV      66              0.0000000000
       385        69  SWM4      OM            -11.3241633235      -13.2721395025       -9.9901603865  SOLV      66              0.0000000000
       386        69  SWM4      H1            -11.7364596820      -13.9898578510       -9.9049522255  SOLV      66              0.0000000000
       387        69  SWM4      H2            -10.6380000717      -13.0856484115      -10.4223319214  SOLV      66              0.0000000000
       388        70  SWM4      OH2            -7.7947894450      -10.8353880122       -3.8739324548  SOLV      67              0.0000000000
       389        70  SWM4      DOH2           -7.7947637470      -10.8387449330       -3.8281396272  SOLV      67              0.0000000000
       390        70  SWM4      OM             -7.8586640669      -10.6856956441       -3.6970767321  SOLV      67              0.0000000000
       391        70  SWM4      H1             -8.6302592830      -10.3814389658       -3.7636913971  SOLV      67              0.0000000000
       392        70  SWM4      H2             -7.2707303247      -10.5595366460       -3.1219422385  SOLV      67              0.0000000000
       393        71  SWM4      OH2            -7.2505294421       -4.6226179608      -12.1892924787  SOLV      68              0.0000000000
       394        71  SWM4      DOH2           -7.1967305418       -4.6051035874      -12.2065609011  SOLV      68              0.0000000000
       395        71  SWM4      OM             -7.4308601124       -4.7166970413      -12.0612469433  SOLV      68              0.0000000000
       396        71  SWM4      H1             -7.9954276808       -5.1300875268      -12.5115017885  SOLV      68              0.0000000000
       397        71  SWM4      H2             -7.3848087366       -4.5738180198      -11.2428152609  SOLV      68              0.0000000000
       398        72  SWM4      OH2            -0.1006394122       -5.4897979746       -3.4025324247  SOLV      69              0.0000000000
       399        72  SWM4      DOH2           -0.0738401353       -5.4636103938       -3.4172300683  SOLV      69              0.0000000000
       400        72  SWM4      OM             -0.1392890605       -5.3729101063       -3.6089522100  SOLV      69              0.0000000000
       401        72  SWM4      H1              0.5412385653       -5.0331678583       -3.9463131383  SOLV      69              0.0000000000
       402        72  SWM4      H2             -0.9309482887       -5.3765584109       -3.8651210397  SOLV      69              0.0000000000
       403        73  SWM4      OH2            -3.3528494196      -11.8086279605      -13.9900323887  SOLV      70              0.0000000000
       404        73  SWM4      DOH2           -3.3122876600      -11.8335597203      -14.0234564519  SOLV      70              0.0000000000
       405        73  SWM4      OM             -3.4844034108      -11.6100264796      -13.9581474844  SOLV      70              0.0000000000
       406        73  SWM4      H1             -4.2914288973      -11.6970682280      -14.1411512263  SOLV      70              0.0000000000
       407        73  SWM4      H2             -3.0556396554      -10.9519392521      -13.6834635251  SOLV      70              0.0000000000
       408        74  SWM4      OH2            -5.7313194133       -4.4382879803       -0.9523824408  SOLV      71              0.0000000000
       409        74  SWM4      DOH2           -5.7456474806       -4.3898971009       -0.9337524864  SOLV      71              0.0000000000
       410        74  SWM4      OM             -5.8431846047       -4.3251466478       -0.7722410914  SOLV      71              0.0000000000
       411        74  SWM4      H1             -6.0767104126       -4.8200455583       -0.1454220087  SOLV      71              0.0000000000
       412        74  SWM4      H2             -5.9313096308       -3.5049273018       -0.8810922292  SOLV      71              0.0000000000
       413        75  SWM4      OH2            -2.6344994186       -9.9413579241      -12.3292924453  SOLV      72              0.0000000000
       414        75  SWM4      DOH2           -2.6641375987       -9.9275198131      -12.3740187464  SOLV      72              0.0000000000
       415        75  SWM4      OM             -2.4400009306       -9.8073981305      -12.3739103943  SOLV      72              0.0000000000
       416        75  SWM4      H1             -1.7426006321      -10.0788577051      -12.0101733872  SOLV      72              0.0000000000
       417        75  SWM4      H2             -2.5781393157       -9.1507495573      -12.8659423484  SOLV      72              0.0000000000
       418        76  SWM4      OH2           -12.1256993735       -5.3276179520       -6.4195024646  SOLV      73              0.0000000000
       419        76  SWM4      DOH2          -12.2133727452       -5.3353555792       -6.3943952410  SOLV      73              0.0000000000
       420        76  SWM4      OM            -11.9570181205       -5.4970525611       -6.4440830740  SOLV      73              0.0000000000
       421        76  SWM4      H1            -11.3809807180       -5.3300473281       -7.0208504564  SOLV      73              0.0000000000
       422        76  SWM4      H2            -12.0480418356       -6.1512376531       -5.9379929732  SOLV      73              0.0000000000
       423        77  SWM4      OH2            -5.1251193901       -3.1641879671      -13.1638324463  SOLV      74              0.0000000000
       424        77  SWM4      DOH2           -5.1585325453       -3.2204771285      -13.2342506121  SOLV      74              0.0000000000
       425        77  SWM4      OM             -5.3298569143       -3.1216305643      -13.0453540847  SOLV      74              0.0000000000
       426        77  SWM4      H1             -5.4202781484       -2.3373985472      -12.7823526776  SOLV      74              0.0000000000
       427        77  SWM4      H2             -5.8281189133       -3.7834966916      -12.9676939241  SOLV      74              0.0000000000
       428        78  SWM4      OH2            -8.1012394586       -7.3499379829        1.1083175614  SOLV      75              0.0000000000
       429        78  SWM4      DOH2           -8.1095580160       -7.3151986005        1.2137031628  SOLV      75              0.0000000000
       430        78  SWM4      OM             -7.9708686814       -7.4290449326        0.9225454953  SOLV      75              0.0000000000
       431        78  SWM4      H1             -8.3971595714       -7.5156388876        0.2132299877  SOLV      75              0.0000000000
       432        78  SWM4      H2             -7.1697215017       -7.5699088009        1.0977083503  SOLV      75              0.0000000000
       433        79  SWM4      OH2             2.2503705765       -9.7319479957      -12.6346224143  SOLV      76              0.0000000000
       434        79  SWM4      DOH2            2.3245626440       -9.8155003640      -12.6009528351  SOLV      76              0.0000000000
       435        79  SWM4      OM              2.1572459249       -9.6264523682      -12.8294664181  SOLV      76              0.0000000000
       436        79  SWM4      H1              1.6960001781      -10.1281470178      -13.3068717121  SOLV      76              0.0000000000
       437        79  SWM4      H2              2.3507321306       -8.8214280426      -12.9122922387  SOLV      76              0.0000000000
       438        80  SWM4      OH2             0.5455405871       -0.9459079724      -12.1694124235  SOLV      77              0.0000000000
       439        80  SWM4      DOH2            0.5836666341       -0.8883013802      -12.2733966581  SOLV      77              0.0000000000
       440        80  SWM4      OM              0.5259440181       -1.1528033167      -12.2901434642  SOLV      77              0.0000000000
       441        80  SWM4      H1              0.1726512032       -1.7715263461      -11.8603529924  SOLV      77              0.0000000000
       442        80  SWM4      H2              0.8228908805       -1.1289669527      -13.0670724416  SOLV      77              0.0000000000
       443        81  SWM4      OH2            -2.2940694132       -6.1379579699       -5.1482224392  SOLV      78              0.0000000000
       444        81  SWM4      DOH2           -2.2136604567       -6.1285065658       -5.1262522642  SOLV      78              0.0000000000
       445        81  SWM4      OM             -2.3919493102       -6.3448820480       -5.2214865666  SOLV      78              0.0000000000
       446        81  SWM4      H1             -3.2223778267       -6.3697662114       -5.1752924591  SOLV      78              0.0000000000
       447        81  SWM4      H2             -1.8429590843       -6.9149755116       -5.4783399877  SOLV      78              0.0000000000
       448        82  SWM4      OH2            -9.7507593413       -1.8097979788       -9.0153524551  SOLV      79              0.0000000000
       449        82  SWM4      DOH2           -9.6857389891       -1.8781995624       -8.9360635711  SOLV      79              0.0000000000
       450        82  SWM4      OM             -9.8231509036       -1.6050186225       -9.1182630084  SOLV      79              0.0000000000
       451        82  SWM4      H1             -9.2235397160       -1.0363583083       -9.2154715965  SOLV      79              0.0000000000
       452        82  SWM4      H2            -10.6309083013       -1.5848785524       -9.3169523571  SOLV      79              0.0000000000
       453        83  SWM4      OH2           -13.9959894475       -6.9473879728      -14.4281123867  SOLV      80              0.0000000000
       454        83  SWM4      DOH2          -13.9929212311       -7.0049929030      -14.3669960419  SOLV      80              0.0000000000
       455        83  SWM4      OM            -14.0463961283       -6.7540285593      -14.2945573980  SOLV      80              0.0000000000
       456        83  SWM4      H1            -13.3800006328       -6.3206683672      -14.0486320609  SOLV      80              0.0000000000
       457        83  SWM4      H2            -14.8577303544       -6.6314084001      -14.1564616457  SOLV      80              0.0000000000
       458        84  SWM4      OH2            -8.3235293579       -4.1468079912       -9.4389224682  SOLV      81              0.0000000000
       459        84  SWM4      DOH2           -8.2682742300       -4.1252218585       -9.4988383307  SOLV      81              0.0000000000
       460        84  SWM4      OM             -8.5248737065       -4.0511093612       -9.3491004662  SOLV      81              0.0000000000
       461        84  SWM4      H1             -8.5645288520       -3.2213681725       -9.3973925942  SOLV      81              0.0000000000
       462        84  SWM4      H2             -9.0641691105       -4.6056758423       -9.0425318053  SOLV      81              0.0000000000
       463        85  SWM4      OH2            -7.8088694118        0.0025520253       -3.1238124429  SOLV      82              0.0000000000
       464        85  SWM4      DOH2           -7.8196011303       -0.0325680136       -3.0839630561  SOLV      82              0.0000000000
       465        85  SWM4      OM             -7.6254973919        0.1179752739       -3.0198035067  SOLV      82              0.0000000000
       466        85  SWM4      H1             -7.4464008428        0.8571114281       -3.3573712700  SOLV      82              0.0000000000
       467        85  SWM4      H2             -7.2773505359       -0.2892881377       -2.3831817631  SOLV      82              0.0000000000
       468        86  SWM4      OH2            -9.6404493731        0.8749520285       -9.8937025109  SOLV      83              0.0000000000
       469        86  SWM4      DOH2           -9.6712446442        0.9233002470       -9.9155575576  SOLV      83              0.0000000000
       470        86  SWM4      OM             -9.7631366611        1.0649869524       -9.8124602920  SOLV      83              0.0000000000
       471        86  SWM4      H1            -10.5903988840        0.9806924846       -9.8423720643  SOLV      83              0.0000000000
       472        86  SWM4      H2             -9.2886385105        1.6956918213       -9.5489519457  SOLV      83              0.0000000000
       473        87  SWM4      OH2            -4.2647894166       -3.8983779854       -3.4232524441  SOLV      84              0.0000000000
       474        87  SWM4      DOH2           -4.2262655300       -3.8618917797       -3.4572196261  SOLV      84              0.0000000000
       475        87  SWM4      OM             -4.2330560429       -4.0966538302       -3.2911715800  SOLV      84              0.0000000000
       476        87  SWM4      H1             -4.6906598611       -4.1262079328       -2.5968520698  SOLV      84              0.0000000000
       477        87  SWM4      H2             -3.6842105395       -4.6371960656       -3.6057230074  SOLV      84              0.0000000000
       478        88  SWM4      OH2            -2.0618994235       -2.9693279666      -14.3493525074  SOLV      85              0.0000000000
       479        88  SWM4      DOH2           -1.9903816512       -2.8644836859      -14.3506435624  SOLV      85              0.0000000000
       480        88  SWM4      OM             -2.1840110078       -3.0664565633      -14.1665396453  SOLV      85              0.0000000000
       481        88  SWM4      H1             -1.7085894616       -3.3493449384      -13.5450037029  SOLV      85              0.0000000000
       482        88  SWM4      H2             -3.0105479702       -3.0628478861      -14.2624223835  SOLV      85              0.0000000000
       483        89  SWM4      OH2             2.4415405876        1.5099220327      -14.1483323980  SOLV      86              0.0000000000
       484        89  SWM4      DOH2            2.4146805540        1.5731475807      -14.1976070992  SOLV      86              0.0000000000
       485        89  SWM4      OM              2.4517140755        1.7467523057      -14.1086639574  SOLV      86              0.0000000000
       486        89  SWM4      H1              3.1853279641        2.0959703469      -14.2881732877  SOLV      86              0.0000000000
       487        89  SWM4      H2              1.7473522116        2.0785008434      -13.8150946890  SOLV      86              0.0000000000
       488        90  SWM4      OH2           -13.4837793853      -12.1136580455       -1.5465124420  SOLV      87              0.0000000000
       489        90  SWM4      DOH2          -13.4722371102      -12.1074879330       -1.5838598545  SOLV      87              0.0000000000
       490        90  SWM4      OM            -13.6871483366      -12.2196713538       -1.4746242170  SOLV      87              0.0000000000
       491        90  SWM4      H1            -14.3765493044      -11.7751183264       -1.6141126945  SOLV      87              0.0000000000
       492        90  SWM4      H2            -13.5825000968      -12.9690483608       -1.1284336780  SOLV      87              0.0000000000
       493        91  SWM4      OH2            -1.1959694140       -4.2971279292      -12.1225625081  SOLV      88              0.0000000000
       494        91  SWM4      DOH2           -1.2263370781       -4.2049532629      -12.1838741509  SOLV      88              0.0000000000
       495        91  SWM4      OM             -1.0626308790       -4.4220179371      -11.9663924237  SOLV      88              0.0000000000
       496        91  SWM4      H1             -1.4732100062       -5.0251989906      -11.5664537697  SOLV      88              0.0000000000
       497        91  SWM4      H2             -0.2686692958       -4.1779275105      -11.9173028306  SOLV      88              0.0000000000
       498        92  SWM4      OH2           -13.8325794408       -0.3092179739       -3.1115724309  SOLV      89              0.0000000000
       499        92  SWM4      DOH2          -13.8566013972       -0.2902216320       -3.1187429010  SOLV      89              0.0000000000
       500        92  SWM4      OM            -13.7375341331       -0.4440303654       -2.9367648318  SOLV      89              0.0000000000
       501        92  SWM4      H1            -13.6155489603       -1.2409772285       -3.1426014887  SOLV      89              0.0000000000
       502        92  SWM4      H2            -13.5862296588       -0.0347180858       -2.2282924518  SOLV      89              0.0000000000
       503        93  SWM4      OH2            -7.9711194011       -1.8577179711      -15.9023524887  SOLV      90              0.0000000000
       504        93  SWM4      DOH2           -7.9932178014       -1.8676622458      -15.9204131574  SOLV      90              0.0000000000
       505        93  SWM4      OM             -7.9772504384       -2.0907303748      -15.8437578644  SOLV      90              0.0000000000
       506        93  SWM4      H1             -7.7321404574       -2.6059071529      -16.4494627971  SOLV      90              0.0000000000
       507        93  SWM4      H2             -8.2399894555       -2.2455470919      -15.0695730565  SOLV      90              0.0000000000
       508        94  SWM4      OH2            -9.0340593749       -2.2873379697      -13.4460924570  SOLV      91              0.0000000000
       509        94  SWM4      DOH2           -8.9866671350       -2.2417270479      -13.4973141898  SOLV      91              0.0000000000
       510        94  SWM4      OM             -9.0045291107       -2.2080114752      -13.2211458694  SOLV      91              0.0000000000
       511        94  SWM4      H1             -8.8872594652       -2.8073576136      -12.6560023712  SOLV      91              0.0000000000
       512        94  SWM4      H2             -9.0368906426       -1.3805787621      -13.1395030691  SOLV      91              0.0000000000
       513        95  SWM4      OH2           -12.5809494310       -5.0350079609      -12.9355524491  SOLV      92              0.0000000000
       514        95  SWM4      DOH2          -12.5955460296       -5.1298740214      -12.8671277547  SOLV      92              0.0000000000
       515        95  SWM4      OM            -12.6144406942       -4.8062613419      -12.8698334882  SOLV      92              0.0000000000
       516        95  SWM4      H1            -13.2670177458       -4.6827607017      -12.3685830271  SOLV      92              0.0000000000
       517        95  SWM4      H2            -12.0581608921       -4.2720495985      -13.1821231450  SOLV      92              0.0000000000
       518        96  SWM4      OH2            -4.7494394095      -12.3726279346       -2.6566524405  SOLV      93              0.0000000000
       519        96  SWM4      DOH2           -4.7018827871      -12.4072678193       -2.6920200778  SOLV      93              0.0000000000
       520        96  SWM4      OM             -4.6842271413      -12.5347983914       -2.4916863224  SOLV      93              0.0000000000
       521        96  SWM4      H1             -4.0506509146      -12.2987583887       -2.0066826835  SOLV      93              0.0000000000
       522        96  SWM4      H2             -5.1302987369      -13.2371264399       -2.5023632393  SOLV      93              0.0000000000
       523        97  SWM4      OH2            -3.9649494179      -12.7204579262      -11.5594223759  SOLV      94              0.0000000000
       524        97  SWM4      DOH2           -4.0232738753      -12.7248317255      -11.5048992042  SOLV      94              0.0000000000
       525        97  SWM4      OM             -3.8053246622      -12.5428715839      -11.5867843157  SOLV      94              0.0000000000
       526        97  SWM4      H1             -3.7451189474      -12.2489184890      -12.3628809717  SOLV      94              0.0000000000
       527        97  SWM4      H2             -3.4065499273      -12.3261975665      -10.8893626604  SOLV      94              0.0000000000
       528        98  SWM4      OH2            -6.2963393981       -0.5899779729      -12.6966724747  SOLV      95              0.0000000000
       529        98  SWM4      DOH2           -6.3180252855       -0.6715476545      -12.6754881418  SOLV      95              0.0000000000
       530        98  SWM4      OM             -6.3551575987       -0.3905407128      -12.8172164765  SOLV      95              0.0000000000
       531        98  SWM4      H1             -7.1127270809       -0.0930082912      -12.6442430182  SOLV      95              0.0000000000
       532        98  SWM4      H2             -5.7667083724       -0.1146277096      -13.3367926462  SOLV      95              0.0000000000
       533        99  SWM4      OH2            -5.8812894204      -13.9112779776       -9.7864724553  SOLV      96              0.0000000000
       534        99  SWM4      DOH2           -5.9721625578      -14.0166299062       -9.8798124814  SOLV      96              0.0000000000
       535        99  SWM4      OM             -5.8172856776      -13.6820364660       -9.7530428255  SOLV      96              0.0000000000
       536        99  SWM4      H1             -6.2279392834      -13.2942187166       -9.1420422063  SOLV      96              0.0000000000
       537        99  SWM4      H2             -5.2226002096      -13.4107089545      -10.2679221684  SOLV      96              0.0000000000
       538       100  SWM4      OH2            -8.9580293929        0.4537420244      -12.7149824126  SOLV      97              0.0000000000
       539       100  SWM4      DOH2           -8.9187794200        0.5005232079      -12.7804614126  SOLV      97              0.0000000000
       540       100  SWM4      OM             -8.9654853163        0.6806693971      -12.6361531811  SOLV      97              0.0000000000
       541       100  SWM4      H1             -8.7971597379        1.2534900885      -13.2157218737  SOLV      97              0.0000000000
       542       100  SWM4      H2             -9.1552490302        0.7603409695      -11.8299237309  SOLV      97              0.0000000000
       543       101  SWM4      OH2           -10.2235894255      -12.8483379215      -13.0992224913  SOLV      98              0.0000000000
       544       101  SWM4      DOH2          -10.3620064519      -12.9102892950      -13.0441253864  SOLV      98              0.0000000000
       545       101  SWM4      OM            -10.0581622444      -12.7205556553      -12.9806002772  SOLV      98              0.0000000000
       546       101  SWM4      H1            -10.3071103735      -11.9600289679      -12.7525827335  SOLV      98              0.0000000000
       547       101  SWM4      H2             -9.3335600300      -13.1136685211      -12.8675426772  SOLV      98              0.0000000000
       548       102  SWM4      OH2            -1.4226394143       -8.3491779933       -6.6092224354  SOLV      99              0.0000000000
       549       102  SWM4      DOH2           -1.3788400369       -8.3684408773       -6.4970148898  SOLV      99              0.0000000000
       550       102  SWM4      OM             -1.4949326119       -8.5759547013       -6.5758807099  SOLV      99              0.0000000000
       551       102  SWM4      H1             -2.2202007409       -8.7641587453       -6.9377204013  SOLV      99              0.0000000000
       552       102  SWM4      H2             -0.9775314233       -9.0398070474       -6.1181723951  SOLV      99              0.0000000000
       553       103  SWM4      OH2           -11.9650594406       -2.4211179800      -14.0387724249  SOLV      100             0.0000000000
       554       103  SWM4      DOH2          -11.9991449815       -2.4185308627      -14.0291753567  SOLV      100             0.0000000000
       555       103  SWM4      OM            -11.7493938119       -2.3664697175      -14.1296989342  SOLV      100             0.0000000000
       556       103  SWM4      H1            -11.3729093993       -1.7216392563      -13.7625335822  SOLV      100             0.0000000000
       557       103  SWM4      H2            -11.5057599249       -2.8541661216      -14.7583116640  SOLV      100             0.0000000000
       558       104  SWM4      OH2           -13.6491393809       -9.7568178995      -14.9228323791  SOLV      101             0.0000000000
       559       104  SWM4      DOH2          -13.7249401684       -9.8128371025      -14.8399623350  SOLV      101             0.0000000000
       560       104  SWM4      OM            -13.8403911455       -9.6124594953      -14.9415158921  SOLV      101             0.0000000000
       561       104  SWM4      H1            -13.6938800599       -8.8175080014      -14.7441314887  SOLV      101             0.0000000000
       562       104  SWM4      H2            -14.5368193688       -9.9923283740      -15.1926211814  SOLV      101             0.0000000000
       563       105  SWM4      OH2            -0.3361794130        0.9070720270       -4.9868724188  SOLV      102             0.0000000000
       564       105  SWM4      DOH2           -0.3816115396        0.9111142603       -4.9773022344  SOLV      102             0.0000000000
       565       105  SWM4      OM             -0.1767909396        1.0609838346       -5.0799968563  SOLV      102             0.0000000000
       566       105  SWM4      H1             -0.4917498103        1.5855111718       -5.6439432472  SOLV      102             0.0000000000
       567       105  SWM4      H2              0.5964608185        0.9790021129       -4.7838131876  SOLV      102             0.0000000000
       568       106  SWM4      OH2           -12.8409393832      -14.9751579425       -6.2497324328  SOLV      103             0.0000000000
       569       106  SWM4      DOH2          -12.7877133351      -14.9147404322       -6.1842649685  SOLV      103             0.0000000000
       570       106  SWM4      OM            -12.9787105662      -15.1253428805       -6.3771267711  SOLV      103             0.0000000000
       571       106  SWM4      H1            -13.0699579390      -14.9159075214       -7.1772306916  SOLV      103             0.0000000000
       572       106  SWM4      H2            -13.2835987360      -15.7666075113       -5.9433217971  SOLV      103             0.0000000000
       573       107  SWM4      OH2           -14.6222394170        1.5779220232        1.2406475616  SOLV      104             0.0000000000
       574       107  SWM4      DOH2          -14.6206873598        1.6500306963        1.3010912136  SOLV      104             0.0000000000
       575       107  SWM4      OM            -14.6101341293        1.3682980198        1.3575959006  SOLV      104             0.0000000000
       576       107  SWM4      H1            -14.0820206841        1.3613237860        2.0005668754  SOLV      104             0.0000000000
       577       107  SWM4      H2            -15.1034406910        0.7725219672        1.0508965829  SOLV      104             0.0000000000
       578       108  SWM4      OH2           -10.0248994445        0.4973620260        2.8610675686  SOLV      105             0.0000000000
       579       108  SWM4      DOH2          -10.0579338942        0.4232748746        2.7904943744  SOLV      105             0.0000000000
       580       108  SWM4      OM             -9.8718153182        0.3568717533        2.7402642189  SOLV      105             0.0000000000
       581       108  SWM4      H1             -9.2571790203        0.0384412186        3.2019863031  SOLV      105             0.0000000000
       582       108  SWM4      H2            -10.0462800039        0.2713420766        1.9311891827  SOLV      105             0.0000000000
       583       109  SWM4      OH2            -5.9329393669        0.0054220291      -15.7637524216  SOLV      106             0.0000000000
       584       109  SWM4      DOH2           -5.9405973653        0.1551282713      -15.7300111521  SOLV      106             0.0000000000
       585       109  SWM4      OM             -5.9087496516       -0.2329932759      -15.7453493822  SOLV      106             0.0000000000
       586       109  SWM4      H1             -6.5768388825       -0.6257152723      -15.4423815768  SOLV      106             0.0000000000
       587       109  SWM4      H2             -5.1711079458       -0.5257766625      -15.9954035545  SOLV      106             0.0000000000
       588       110  SWM4      OH2           -14.7152894400       -4.6116679891        2.1950775534  SOLV      107             0.0000000000
       589       110  SWM4      DOH2          -14.5886411777       -4.5021565542        2.1587171808  SOLV      107             0.0000000000
       590       110  SWM4      OM            -14.8441457619       -4.7379624597        2.0362965899  SOLV      107             0.0000000000
       591       110  SWM4      H1            -14.5712386141       -5.5135966980        1.9087467124  SOLV      107             0.0000000000
       592       110  SWM4      H2            -15.4875488562       -4.3254581054        1.7073093720  SOLV      107             0.0000000000
       593       111  SWM4      OH2           -10.3739194082       -4.2680979707      -15.6724624301  SOLV      108             0.0000000000
       594       111  SWM4      DOH2          -10.3973750798       -4.1953404479      -15.7458993697  SOLV      108             0.0000000000
       595       111  SWM4      OM            -10.2267848123       -4.4553179919      -15.7051083419  SOLV      108             0.0000000000
       596       111  SWM4      H1            -10.3095100273       -5.0621374459      -15.1418220372  SOLV      108             0.0000000000
       597       111  SWM4      H2             -9.7209990036       -4.3868178668      -16.3622622411  SOLV      108             0.0000000000
       598       112  SWM4      OH2            -5.0215794214       -3.2209279792      -15.9366624729  SOLV      109             0.0000000000
       599       112  SWM4      DOH2           -4.9873065694       -3.2019694933      -16.0079168058  SOLV      109             0.0000000000
       600       112  SWM4      OM             -5.1190149365       -3.3737734398      -15.7788325535  SOLV      109             0.0000000000
       601       112  SWM4      H1             -5.2901691884       -3.0407175028      -15.0357735276  SOLV      109             0.0000000000
       602       112  SWM4      H2             -5.2280176213       -4.1463071191      -16.0680822065  SOLV      109             0.0000000000
       603       113  SWM4      OH2            -2.3251594245       -4.7261279916       -0.9890524428  SOLV      110             0.0000000000
       604       113  SWM4      DOH2           -2.3275471970       -4.7484166837       -1.0277059838  SOLV      110             0.0000000000
       605       113  SWM4      OM             -2.3275881434       -4.4860727909       -1.0005983700  SOLV      110             0.0000000000
       606       113  SWM4      H1             -1.5796788955       -4.1377569629       -1.1086525923  SOLV      110             0.0000000000
       607       113  SWM4      H2             -3.0824810164       -4.1441560409       -0.9257422403  SOLV      110             0.0000000000
       608       114  SWM4      OH2           -13.8826393792       -7.4113379598        1.6150075570  SOLV      111             0.0000000000
       609       114  SWM4      DOH2          -13.8933068166       -7.3586251283        1.6359253091  SOLV      111             0.0000000000
       610       114  SWM4      OM            -13.8523067755       -7.5842931052        1.7791177095  SOLV      111             0.0000000000
       611       114  SWM4      H1            -13.4745187445       -8.2686779280        1.4940666058  SOLV      111             0.0000000000
       612       114  SWM4      H2            -14.1428786623       -7.3972076293        2.5360356786  SOLV      111             0.0000000000
       613       115  SWM4      OH2            -9.2245394197       -6.2954780021      -13.3666624768  SOLV      112             0.0000000000
       614       115  SWM4      DOH2           -9.1977243500       -6.2575274183      -13.3469937454  SOLV      112             0.0000000000
       615       115  SWM4      OM             -9.2665734541       -6.5318971615      -13.3564271812  SOLV      112             0.0000000000
       616       115  SWM4      H1             -9.6843394699       -6.7796469631      -12.6808129081  SOLV      112             0.0000000000
       617       115  SWM4      H2             -8.9696706504       -6.9639369735      -14.0026115532  SOLV      112             0.0000000000
       618       116  SWM4      OH2            -9.9356093912       -8.4027679821       -1.0107024385  SOLV      113             0.0000000000
       619       116  SWM4      DOH2           -9.9259100075       -8.4266704661       -0.9639063776  SOLV      113             0.0000000000
       620       116  SWM4      OM             -9.9918655245       -8.1984657266       -1.1241111367  SOLV      113             0.0000000000
       621       116  SWM4      H1            -10.5539983068       -7.7281085807       -0.7302326317  SOLV      113             0.0000000000
       622       116  SWM4      H2             -9.5914895113       -8.0813789435       -1.8440812774  SOLV      113             0.0000000000
       623       117  SWM4      OH2            -8.1534993538       -8.0522980182      -15.1043424278  SOLV      114             0.0000000000
       624       117  SWM4      DOH2           -8.2291415495       -8.0051419345      -15.1174429416  SOLV      114             0.0000000000
       625       117  SWM4      OM             -7.9956529278       -8.0619404499      -15.2853318392  SOLV      114             0.0000000000
       626       117  SWM4      H1             -8.3339978634       -8.2071786951      -16.0315126817  SOLV      114             0.0000000000
       627       117  SWM4      H2             -7.2034479084       -7.9444277483      -15.0595537101  SOLV      114             0.0000000000
       628       118  SWM4      OH2            -9.5962393732      -11.0476879624        0.0716075620  SOLV      115             0.0000000000
       629       118  SWM4      DOH2           -9.5665224779      -10.9881881694        0.1619810312  SOLV      115             0.0000000000
       630       118  SWM4      OM             -9.5649944470      -11.0377811061       -0.1664917486  SOLV      115             0.0000000000
       631       118  SWM4      H1             -9.4461501198      -11.7765581327       -0.5304233793  SOLV      115             0.0000000000
       632       118  SWM4      H2             -9.5939995395      -10.2705188290       -0.4871711201  SOLV      115             0.0000000000
       633       119  SWM4      OH2            -9.1836693620      -12.6781080082       -2.4356524274  SOLV      116             0.0000000000
       634       119  SWM4      DOH2           -9.2067964765      -12.6721183435       -2.3138940190  SOLV      116             0.0000000000
       635       119  SWM4      OM             -9.2485450777      -12.6076207030       -2.6560802098  SOLV      116             0.0000000000
       636       119  SWM4      H1             -8.6479197188      -12.2264388696       -3.0877225447  SOLV      116             0.0000000000
       637       119  SWM4      H2            -10.0357093802      -12.7861286272       -2.8582408401  SOLV      116             0.0000000000
       638       120  SWM4      OH2            -7.6018294436       -7.2384879730       -2.1961324549  SOLV      117             0.0000000000
       639       120  SWM4      DOH2           -7.6825548093       -7.2466395985       -2.2296823097  SOLV      117             0.0000000000
       640       120  SWM4      OM             -7.5174633602       -7.0958486924       -2.3702073778  SOLV      117             0.0000000000
       641       120  SWM4      H1             -6.8513497287       -7.3947369243       -2.7693507412  SOLV      117             0.0000000000
       642       120  SWM4      H2             -7.9409987811       -6.3868286135       -2.4715827979  SOLV      117             0.0000000000
       643       121  SWM4      OH2            -1.8694894173       -6.6347879754        0.9096675624  SOLV      118             0.0000000000
       644       121  SWM4      DOH2           -1.8793510902       -6.6888115835        1.0094145451  SOLV      118             0.0000000000
       645       121  SWM4      OM             -1.7339221816       -6.5041784129        0.7602408225  SOLV      118             0.0000000000
       646       121  SWM4      H1             -2.1509896697       -5.9253295722        0.3320482752  SOLV      118             0.0000000000
       647       121  SWM4      H2             -0.9270597473       -6.7074870283        0.7587884748  SOLV      118             0.0000000000
       648       122  SWM4      OH2           -11.1176093651       -9.8493379677        1.9831675751  SOLV      119             0.0000000000
       649       122  SWM4      DOH2          -11.1126588997       -9.8845143622        2.0037913395  SOLV      119             0.0000000000
       650       122  SWM4      OM            -11.1357006196      -10.0221430246        1.8171048746  SOLV      119             0.0000000000
       651       122  SWM4      H1            -11.8847085641      -10.3818562467        1.7729294041  SOLV      119             0.0000000000
       652       122  SWM4      H2            -10.4387101729      -10.1592966115        1.3838002035  SOLV      119             0.0000000000
       653       123  SWM4      OH2            -8.3781194268      -15.2215379891       -2.0042924257  SOLV      120             0.0000000000
       654       123  SWM4      DOH2           -8.4139975167      -15.2478596284       -1.9921608380  SOLV      120             0.0000000000
       655       123  SWM4      OM             -8.5505010031      -15.1038641967       -2.1234694166  SOLV      120             0.0000000000
       656       123  SWM4      H1             -8.4761582369      -14.2752189461       -2.1096717096  SOLV      120             0.0000000000
       657       123  SWM4      H2             -9.1204998759      -15.5941570928       -2.4799413898  SOLV      120             0.0000000000
       658       124  SWM4      OH2            -2.7642594072      -13.1385379609        2.6400875554  SOLV      121             0.0000000000
       659       124  SWM4      DOH2           -2.7042250711      -13.1000958426        2.6560056730  SOLV      121             0.0000000000
       660       124  SWM4      OM             -2.8501016451      -13.2787516993        2.8154070191  SOLV      121             0.0000000000
       661       124  SWM4      H1             -2.8610799142      -14.0908086288        2.6342777695  SOLV      121             0.0000000000
       662       124  SWM4      H2             -3.0859486594      -12.8698562062        3.5006390799  SOLV      121             0.0000000000
       663       125  SWM4      OH2           -12.9373293953      -11.9289579395        1.6876375581  SOLV      122             0.0000000000
       664       125  SWM4      DOH2          -12.9766209551      -11.8749936872        1.6569733255  SOLV      122             0.0000000000
       665       125  SWM4      OM            -12.9167175968      -12.1635635562        1.7356071527  SOLV      122             0.0000000000
       666       125  SWM4      H1            -12.7255896596      -12.6353477960        1.0773878853  SOLV      122             0.0000000000
       667       125  SWM4      H2            -13.0485787501      -12.3663571336        2.5317567022  SOLV      122             0.0000000000
       668       126  SWM4      OH2            -8.2563294142        2.6380720169      -14.1029824640  SOLV      123             0.0000000000
       669       126  SWM4      DOH2           -8.2239641543        2.6641636281      -14.0936361152  SOLV      123             0.0000000000
       670       126  SWM4      OM             -8.1191188785        2.8089662249      -14.2016441057  SOLV      123             0.0000000000
       671       126  SWM4      H1             -7.3232589155        2.7959424039      -13.9591432867  SOLV      123             0.0000000000
       672       126  SWM4      H2             -8.5204490740        3.3133724059      -14.7278331181  SOLV      123             0.0000000000
       673       127  SWM4      OH2           -14.6878394132       -2.7255479633      -14.6201723999  SOLV      124             0.0000000000
       674       127  SWM4      DOH2          -14.7471138483       -2.6726110733      -14.6137895433  SOLV      124             0.0000000000
       675       127  SWM4      OM            -14.4988803112       -2.8502894200      -14.7007933197  SOLV      124             0.0000000000
       676       127  SWM4      H1            -13.7739199308       -2.6466568519      -14.3467809191  SOLV      124             0.0000000000
       677       127  SWM4      H2            -14.6805306950       -3.4125884092      -15.2866129224  SOLV      124             0.0000000000
       678       128  SWM4      OH2           -15.1688594792        0.7480020275       -7.7381624601  SOLV      125             0.0000000000
       679       128  SWM4      DOH2          -15.1483679839        0.7161497988       -7.7605857171  SOLV      125             0.0000000000
       680       128  SWM4      OM            -15.1918484126        0.6383138054       -7.5255461378  SOLV      125             0.0000000000
       681       128  SWM4      H1            -15.5031796514       -0.1322674379       -7.5661418573  SOLV      125             0.0000000000
       682       128  SWM4      H2            -14.9466191950        1.0935020752       -6.8736020069  SOLV      125             0.0000000000
       683       129  SWM4      OH2             2.3796206006        1.5576420312       -4.7576824193  SOLV      126             0.0000000000
       684       129  SWM4      DOH2            2.3218558347        1.6479456045       -4.7907737982  SOLV      126             0.0000000000
       685       129  SWM4      OM              2.5169016599        1.7121423565       -4.6350071847  SOLV      126             0.0000000000
       686       129  SWM4      H1              2.3582902573        1.7424815296       -3.8187431402  SOLV      126             0.0000000000
       687       129  SWM4      H2              3.0702389358        2.1260396171       -5.0985411449  SOLV      126             0.0000000000
       688       130  SWM4      OH2             0.3936405891       -3.0854379689        2.8022575627  SOLV      127             0.0000000000
       689       130  SWM4      DOH2            0.5353194224       -3.1252064362        2.7861968114  SOLV      127             0.0000000000
       690       130  SWM4      OM              0.2932768703       -2.9514350364        2.9746988933  SOLV      127             0.0000000000
       691       130  SWM4      H1             -0.4722498559       -3.1904663566        3.1964863573  SOLV      127             0.0000000000
       692       130  SWM4      H2              0.7702306725       -2.3271088338        3.2487265293  SOLV      127             0.0000000000
       693       131  SWM4      OH2             1.6946105856       -4.8290679803      -11.6834924245  SOLV      128             0.0000000000
       694       131  SWM4      DOH2            1.7986924739       -4.7929873295      -11.7257976325  SOLV      128             0.0000000000
       695       131  SWM4      OM              1.8701163537       -4.8944786239      -11.5328775445  SOLV      128             0.0000000000
       696       131  SWM4      H1              2.5447491923       -4.4079784514      -11.5563335732  SOLV      128             0.0000000000
       697       131  SWM4      H2              1.7001212917       -5.5690561490      -11.0763535201  SOLV      128             0.0000000000
       698       132  SWM4      OH2             2.0891705779       -6.7753279614       -9.8599224181  SOLV      129             0.0000000000
       699       132  SWM4      DOH2            2.1492528448       -6.7216947752       -9.8636785678  SOLV      129             0.0000000000
       700       132  SWM4      OM              2.0593861444       -6.8315846357       -9.6281601959  SOLV      129             0.0000000000
       701       132  SWM4      H1              1.3626314215       -7.2550664905       -9.4621628015  SOLV      129             0.0000000000
       702       132  SWM4      H2              2.6705009196       -6.5698591337       -9.1277651162  SOLV      129             0.0000000000
       703       133  SWM4      OH2             1.8482905887       -3.9905779545       -4.9121624495  SOLV      130             0.0000000000
       704       133  SWM4      DOH2            1.8467185445       -3.9839380338       -4.9124633677  SOLV      130             0.0000000000
       705       133  SWM4      OM              2.0422160714       -3.8746636198       -4.9941529143  SOLV      130             0.0000000000
       706       133  SWM4      H1              2.6817083177       -4.3685759533       -5.1928020122  SOLV      130             0.0000000000
       707       133  SWM4      H2              1.9603216947       -3.0474602147       -5.0312528237  SOLV      130             0.0000000000
       708       134  SWM4      OH2             2.3574805917       -6.8744779712      -13.4687924662  SOLV      131             0.0000000000
       709       134  SWM4      DOH2            2.4079381796       -6.8564910923      -13.4663954463  SOLV      131             0.0000000000
       710       134  SWM4      OM              2.2436478044       -6.6629651575      -13.4771653426  SOLV      131             0.0000000000
       711       134  SWM4      H1              1.8355907183       -6.5180678785      -14.1877021634  SOLV      131             0.0000000000
       712       134  SWM4      H2              2.3244015165       -6.1996995847      -12.7907034236  SOLV      131             0.0000000000
       713       135  SWM4      OH2             0.7063805885       -9.6349179342      -14.9180824576  SOLV      132             0.0000000000
       714       135  SWM4      DOH2            0.8146906314       -9.6024293911      -14.9285368315  SOLV      132             0.0000000000
       715       135  SWM4      OM              0.6974378913       -9.6654120794      -15.1563172095  SOLV      132             0.0000000000
       716       135  SWM4      H1              0.8028212992       -8.9682187448      -15.5981116827  SOLV      132             0.0000000000
       717       135  SWM4      H2              0.5663412928      -10.4502865312      -15.3995328086  SOLV      132             0.0000000000
       718       136  SWM4      OH2             0.7321405868       -6.2843479757        0.3417775607  SOLV      133             0.0000000000
       719       136  SWM4      DOH2            0.6500600858       -6.2401106147        0.3604396539  SOLV      133             0.0000000000
       720       136  SWM4      OM              0.9673384942       -6.2767052288        0.3906571799  SOLV      133             0.0000000000
       721       136  SWM4      H1              1.3148711997       -7.0191158724        0.5334987298  SOLV      133             0.0000000000
       722       136  SWM4      H2              1.2960709090       -5.5123192595        0.3883599386  SOLV      133             0.0000000000
       723       137  SWM4      OH2             2.2288505928       -8.3817679711        1.0263175664  SOLV      134             0.0000000000
       724       137  SWM4      DOH2            2.1847050411       -8.2547028521        1.0898612431  SOLV      134             0.0000000000
       725       137  SWM4      OM              2.1757343522       -8.6109447590        0.9771002247  SOLV      134             0.0000000000
       726       137  SWM4      H1              1.3655228069       -8.7605560256        0.8607887976  SOLV      134             0.0000000000
       727       137  SWM4      H2              2.8332207726       -9.1202870283        0.9518966915  SOLV      134             0.0000000000
       728       138  SWM4      OH2            -0.0462394118      -12.2269379408      -15.8005324775  SOLV      135             0.0000000000
       729       138  SWM4      DOH2            0.0312107426      -12.1976690810      -15.8984571170  SOLV      135             0.0000000000
       730       138  SWM4      OM             -0.0926500277      -12.3895162987      -15.6297107041  SOLV      135             0.0000000000
       731       138  SWM4      H1              0.5643419174      -12.5982566813      -15.1637134933  SOLV      135             0.0000000000
       732       138  SWM4      H2             -0.8830894112      -12.6482483571      -15.6045327251  SOLV      135             0.0000000000
       733       139  SWM4      OH2            -0.4136694107      -10.6720979801      -10.8345424209  SOLV      136             0.0000000000
       734       139  SWM4      DOH2           -0.4032235204      -10.6479128232      -10.9346258378  SOLV      136             0.0000000000
       735       139  SWM4      OM             -0.2005782802      -10.7690788615      -10.8888798787  SOLV      136             0.0000000000
       736       139  SWM4      H1             -0.1339607687      -11.5790569711      -10.7103716230  SOLV      136             0.0000000000
       737       139  SWM4      H2              0.3454992064      -10.2379471295      -11.2236230538  SOLV      136             0.0000000000
       738       140  SWM4      OH2             0.1981605873      -10.0903579169       -5.3986524677  SOLV      137             0.0000000000
       739       140  SWM4      DOH2            0.1612293735      -10.1516509828       -5.4209066040  SOLV      137             0.0000000000
       740       140  SWM4      OM              0.3412372111      -10.0261163631       -5.2165322015  SOLV      137             0.0000000000
       741       140  SWM4      H1              1.1309585747       -9.8783675764       -5.4330520767  SOLV      137             0.0000000000
       742       140  SWM4      H2             -0.0370900519       -9.9891479992       -4.4763543159  SOLV      137             0.0000000000
       743       141  SWM4      OH2             0.2273505872       -9.3538279089       -2.6227124281  SOLV      138             0.0000000000
       744       141  SWM4      DOH2            0.2331568271       -9.3980886007       -2.5702595500  SOLV      138             0.0000000000
       745       141  SWM4      OM              0.1452142457       -9.1302049211       -2.5909008303  SOLV      138             0.0000000000
       746       141  SWM4      H1             -0.6155195583       -9.0857879914       -2.2567330323  SOLV      138             0.0000000000
       747       141  SWM4      H2              0.6697816073       -8.5316382675       -2.8336004008  SOLV      138             0.0000000000
       748       142  SWM4      OH2           -15.4914294428      -10.9059580449        0.8542075601  SOLV      139             0.0000000000
       749       142  SWM4      DOH2          -15.5248691955      -10.8370700482        0.7859370371  SOLV      139             0.0000000000
       750       142  SWM4      OM            -15.3950381003      -11.0848584313        0.9825390963  SOLV      139             0.0000000000
       751       142  SWM4      H1            -14.5719406397      -11.0281271679        1.0905166447  SOLV      139             0.0000000000
       752       142  SWM4      H2            -15.9409791896      -11.6559875320        1.2435565805  SOLV      139             0.0000000000
       753       143  SWM4      OH2             2.5105105822      -15.3738079558        2.7307875557  SOLV      140             0.0000000000
       754       143  SWM4      DOH2            2.4781076762      -15.3441377312        2.7991625397  SOLV      140             0.0000000000
       755       143  SWM4      OM              2.6123810722      -15.3361161111        2.5163874624  SOLV      140             0.0000000000
       756       143  SWM4      H1              2.8602106067      -16.0274573622        2.1252577416  SOLV      140             0.0000000000
       757       143  SWM4      H2              2.6574613992      -14.5363988298        2.2910497338  SOLV      140             0.0000000000
       758       144  SWM4      OH2             0.1998105903      -13.4091679107      -10.7863424130  SOLV      141             0.0000000000
       759       144  SWM4      DOH2            0.2879088104      -13.3868929935      -10.8163729395  SOLV      141             0.0000000000
       760       144  SWM4      OM              0.1142345734      -13.6211359262      -10.7120992293  SOLV      141             0.0000000000
       761       144  SWM4      H1              0.3823098569      -13.8580178418       -9.9608431211  SOLV      141             0.0000000000
       762       144  SWM4      H2             -0.3998984128      -13.9937275935      -11.2498830423  SOLV      141             0.0000000000
       763       145  SWM4      OH2           -14.2701794041      -12.5937979986       -6.2545024488  SOLV      142             0.0000000000
       764       145  SWM4      DOH2          -14.3453511010      -12.6475520593       -6.2044602296  SOLV      142             0.0000000000
       765       145  SWM4      OM            -14.0832259541      -12.6092286686       -6.1042493925  SOLV      142             0.0000000000
       766       145  SWM4      H1            -13.8250207888      -13.3855481153       -5.9525310398  SOLV      142             0.0000000000
       767       145  SWM4      H2            -13.8038803712      -11.8772774906       -5.8239417143  SOLV      142             0.0000000000
       768       146  SWM4      OH2           -15.9661493576       -9.5944979755       -5.1854824676  SOLV      143             0.0000000000
       769       146  SWM4      DOH2          -15.8976795612       -9.5936575062       -5.1262088924  SOLV      143             0.0000000000
       770       146  SWM4      OM            -15.7909677106       -9.4674520101       -5.2900593471  SOLV      143             0.0000000000
       771       146  SWM4      H1            -15.4741703271       -9.8154475649       -5.9762817402  SOLV      143             0.0000000000
       772       146  SWM4      H2            -15.6040586582       -8.7541563033       -4.9045302932  SOLV      143             0.0000000000
       773       147  SWM4      OH2             2.0664306009      -13.3413579176      -14.2583124801  SOLV      144             0.0000000000
       774       147  SWM4      DOH2            1.9558557232      -13.3324135763      -14.2273753734  SOLV      144             0.0000000000
       775       147  SWM4      OM              2.2908059622      -13.3520176183      -14.3437976558  SOLV      144             0.0000000000
       776       147  SWM4      H1              2.4786891398      -14.0627878934      -14.7335129733  SOLV      144             0.0000000000
       777       147  SWM4      H2              2.7480794052      -12.6718970276      -14.1998822890  SOLV      144             0.0000000000
       778       148  SWM4      OH2           -15.6524993888      -13.3365879680      -11.1312424806  SOLV      145             0.0000000000
       779       148  SWM4      DOH2          -15.6456123926      -13.2906298561      -11.1094941923  SOLV      145             0.0000000000
       780       148  SWM4      OM            -15.7491438007      -13.1944965237      -11.2992767833  SOLV      145             0.0000000000
       781       148  SWM4      H1            -16.5776587827      -13.1279274131      -11.2606921759  SOLV      145             0.0000000000
       782       148  SWM4      H2            -15.1985110476      -12.8525094127      -11.8210114991  SOLV      145             0.0000000000
       783       149  SWM4      OH2            -0.8817794155        1.6475820292       -9.1855024909  SOLV      146             0.0000000000
       784       149  SWM4      DOH2           -0.9685647443        1.5309082867       -9.1485840723  SOLV      146             0.0000000000
       785       149  SWM4      OM             -0.6432958072        1.6764070046       -9.1777323923  SOLV      146             0.0000000000
       786       149  SWM4      H1             -0.2294917855        1.2997917157       -9.7935918220  SOLV      146             0.0000000000
       787       149  SWM4      H2             -0.3713997301        2.1359011938       -8.5395322493  SOLV      146             0.0000000000
       788       150  SWM4      OH2           -13.4970294526       -1.4232779668        1.3575875625  SOLV      147             0.0000000000
       789       150  SWM4      DOH2          -13.4770923404       -1.3774558007        1.3954606732  SOLV      147             0.0000000000
       790       150  SWM4      OM            -13.7171122123       -1.4025365611        1.4519220716  SOLV      147             0.0000000000
       791       150  SWM4      H1            -14.3177792486       -1.2486277782        0.8970573499  SOLV      147             0.0000000000
       792       150  SWM4      H2            -13.7492490075       -1.4968074296        2.2780263975  SOLV      147             0.0000000000
       793       151  SWM4      OH2           -10.5427394149       -0.4491579715       -2.3840124587  SOLV      148             0.0000000000
       794       151  SWM4      DOH2          -10.5571746626       -0.4790551708       -2.3359856591  SOLV      148             0.0000000000
       795       151  SWM4      OM            -10.4444093081       -0.2655268697       -2.5039143998  SOLV      148             0.0000000000
       796       151  SWM4      H1            -10.9676290548        0.3606907561       -2.6665517836  SOLV      148             0.0000000000
       797       151  SWM4      H2             -9.6384603666       -0.3637489498       -2.6860319665  SOLV      148             0.0000000000
       798       152  SWM4      OH2           -13.1410693793        2.8072320240       -2.3364824418  SOLV      149             0.0000000000
       799       152  SWM4      DOH2          -13.1327994255        2.8077084893       -2.2085754983  SOLV      149             0.0000000000
       800       152  SWM4      OM            -13.3638181825        2.8461160728       -2.2550163430  SOLV      149             0.0000000000
       801       152  SWM4      H1            -13.8614301007        3.2473313198       -2.7877116558  SOLV      149             0.0000000000
       802       152  SWM4      H2            -13.5066692817        2.5567030422       -1.4880841222  SOLV      149             0.0000000000
       803       153  SWM4      OH2           -10.6738094186        2.4076220310       -3.3067624314  SOLV      150             0.0000000000
       804       153  SWM4      DOH2          -10.7037443483        2.3414326349       -3.2426804656  SOLV      150             0.0000000000
       805       153  SWM4      OM            -10.8624897683        2.5345018120       -3.3846528477  SOLV      150             0.0000000000
       806       153  SWM4      H1            -11.5385876600        2.4794713698       -2.9027525124  SOLV      150             0.0000000000
       807       153  SWM4      H2            -10.7289086399        2.9543528227       -4.0905135490  SOLV      150             0.0000000000
       808       154  SWM4      OH2            -5.9632494560        2.2955120991       -4.1311625107  SOLV      151             0.0000000000
       809       154  SWM4      DOH2           -5.9325157171        2.3805328418       -4.0766949321  SOLV      151             0.0000000000
       810       154  SWM4      OM             -6.0235118011        2.5277221853       -4.1165851082  SOLV      151             0.0000000000
       811       154  SWM4      H1             -6.4198501334        2.8244818557       -4.7853219063  SOLV      151             0.0000000000
       812       154  SWM4      H2             -5.8004501710        2.8986509181       -3.4059337318  SOLV      151             0.0000000000
       813       155  SWM4      OH2            -3.6356194197        1.1734720292       -3.1861324489  SOLV      152             0.0000000000
       814       155  SWM4      DOH2           -3.6646038025        1.2541251707       -3.0891553754  SOLV      152             0.0000000000
       815       155  SWM4      OM             -3.7332064400        1.3823272460       -3.2541173121  SOLV      152             0.0000000000
       816       155  SWM4      H1             -4.5402484325        1.3384928410       -3.4519214961  SOLV      152             0.0000000000
       817       155  SWM4      H2             -3.2067611484        2.0266931097       -3.2517932068  SOLV      152             0.0000000000
       818       156  SWM4      OH2            -1.0314294193        2.7433820181       -2.8913524207  SOLV      153             0.0000000000
       819       156  SWM4      DOH2           -0.9389981631        2.6951097871       -2.9845300141  SOLV      153             0.0000000000
       820       156  SWM4      OM             -1.0324595532        2.8470887698       -3.1081692949  SOLV      153             0.0000000000
       821       156  SWM4      H1             -1.2132319919        3.6592723263       -3.1018631100  SOLV      153             0.0000000000
       822       156  SWM4      H2             -0.8546496557        2.3330939815       -3.7378892169  SOLV      153             0.0000000000
       823       157  SWM4      OH2           -13.7262593991        1.4304820256       -5.4263024454  SOLV      154             0.0000000000
       824       157  SWM4      DOH2          -13.8236743520        1.5404573859       -5.5874685899  SOLV      154             0.0000000000
       825       157  SWM4      OM            -13.5649606321        1.2778798720       -5.3343189811  SOLV      154             0.0000000000
       826       157  SWM4      H1            -13.7446613809        1.0049924532       -4.5690701661  SOLV      154             0.0000000000
       827       157  SWM4      H2            -12.9214702439        1.1119833435       -5.8350830836  SOLV      154             0.0000000000
       828       158  SWM4      OH2           -11.5849494130        0.1403520286       -6.7713124031  SOLV      155             0.0000000000
       829       158  SWM4      DOH2          -11.6290920271        0.3047421115       -6.8303344147  SOLV      155             0.0000000000
       830       158  SWM4      OM            -11.4607976352       -0.0188602396       -6.6409151532  SOLV      155             0.0000000000
       831       158  SWM4      H1            -11.8038797054       -0.7759086952       -6.6017142835  SOLV      155             0.0000000000
       832       158  SWM4      H2            -10.7607320972        0.2803915996       -6.3051742441  SOLV      155             0.0000000000
       833       159  SWM4      OH2            -9.0476994622        0.6102820265       -5.9225124177  SOLV      156             0.0000000000
       834       159  SWM4      DOH2           -9.0247304856        0.6203320030       -5.8326861247  SOLV      156             0.0000000000
       835       159  SWM4      OM             -8.9908663382        0.4210977118       -5.7856001429  SOLV      156             0.0000000000
       836       159  SWM4      H1             -8.8351314778       -0.2778163082       -6.2094230177  SOLV      156             0.0000000000
       837       159  SWM4      H2             -8.9831902213        0.5760514098       -4.9681145848  SOLV      156             0.0000000000
       838       160  SWM4      OH2            -5.5393294049      -13.7256579149       -6.7781824085  SOLV      157             0.0000000000
       839       160  SWM4      DOH2           -5.4121787068      -13.7674862085       -6.7809258594  SOLV      157             0.0000000000
       840       160  SWM4      OM             -5.5619743308      -13.9540627606       -6.8494860196  SOLV      157             0.0000000000
       841       160  SWM4      H1             -6.2136497063      -14.3550985092       -6.5226028485  SOLV      157             0.0000000000
       842       160  SWM4      H2             -4.9754111527      -14.2097683564       -7.3813908699  SOLV      157             0.0000000000
       843       161  SWM4      OH2            -0.3966094129      -15.6182580070       -6.6654724273  SOLV      158             0.0000000000
       844       161  SWM4      DOH2           -0.4596214290      -15.6260856331       -6.6090165802  SOLV      158             0.0000000000
       845       161  SWM4      OM             -0.4511777950      -15.4405103877       -6.8177675326  SOLV      158             0.0000000000
       846       161  SWM4      H1              0.2071499897      -15.0707187034       -7.1673723233  SOLV      158             0.0000000000
       847       161  SWM4      H2             -1.2664079252      -15.2992181718       -6.9060624194  SOLV      158             0.0000000000
       848       162  SWM4      OH2             1.3304305902      -14.4793879907       -8.3323824237  SOLV      159             0.0000000000
       849       162  SWM4      DOH2            1.2656478239      -14.5293446969       -8.2894016298  SOLV      159             0.0000000000
       850       162  SWM4      OM              1.5343318050      -14.4049769088       -8.4355956884  SOLV      159             0.0000000000
       851       162  SWM4      H1              1.9421794043      -14.9938183813       -8.8590221697  SOLV      159             0.0000000000
       852       162  SWM4      H2              1.7127674668      -13.6021791820       -8.3089414245  SOLV      159             0.0000000000
       853       163  SWM4      OH2           -13.2125793401      -15.0916279442       -8.9561924269  SOLV      160             0.0000000000
       854       163  SWM4      DOH2          -13.2089084769      -15.0579592370       -8.9515515115  SOLV      160             0.0000000000
       855       163  SWM4      OM            -13.2631727840      -15.3031617903       -9.0584640196  SOLV      160             0.0000000000
       856       163  SWM4      H1            -13.9895987688      -15.3261379616       -9.4636014547  SOLV      160             0.0000000000
       857       163  SWM4      H2            -12.6822196090      -15.8884175891       -8.9473921013  SOLV      160             0.0000000000
       858       164  SWM4      OH2           -14.3762393913      -15.2938180255      -13.1525824414  SOLV      161             0.0000000000
       859       164  SWM4      DOH2          -14.4193002987      -15.3152477648      -13.1290995170  SOLV      161             0.0000000000
       860       164  SWM4      OM            -14.4161733770      -15.0580454896      -13.1767142466  SOLV      161             0.0000000000
       861       164  SWM4      H1            -13.9371698306      -14.6827683868      -13.7442323084  SOLV      161             0.0000000000
       862       164  SWM4      H2            -15.0099986351      -14.7554077029      -12.6785821654  SOLV      161             0.0000000000
       863       165  SWM4      OH2            -8.6333194520      -15.1649179929       -9.1428824237  SOLV      162             0.0000000000
       864       165  SWM4      DOH2           -8.6052075353      -15.2112826760       -9.1054456720  SOLV      162             0.0000000000
       865       165  SWM4      OM             -8.4818567627      -15.1293896473       -8.9596817263  SOLV      162             0.0000000000
       866       165  SWM4      H1             -7.7589804965      -14.7764891464       -9.1724522522  SOLV      162             0.0000000000
       867       165  SWM4      H2             -8.7692398681      -15.3801373807       -8.2201623898  SOLV      162             0.0000000000
       868       166  SWM4      OH2            -3.0764794012      -15.1349379689       -7.4937124209  SOLV      163             0.0000000000
       869       166  SWM4      DOH2           -3.1046427944      -15.0836138331       -7.5274603458  SOLV      163             0.0000000000
       870       166  SWM4      OM             -3.1172811647      -15.3016045393       -7.6620073220  SOLV      163             0.0000000000
       871       166  SWM4      H1             -3.0003197853      -15.0397787733       -8.4431109930  SOLV      163             0.0000000000
       872       166  SWM4      H2             -3.3515601385      -16.0426473661       -7.3648021833  SOLV      163             0.0000000000
       873       167  SWM4      OH2            -1.7232194161      -15.1091580155      -11.8012124697  SOLV      164             0.0000000000
       874       167  SWM4      DOH2           -1.6201948447      -15.1217376377      -11.8478540898  SOLV      164             0.0000000000
       875       167  SWM4      OM             -1.9586412989      -15.1547776556      -11.8173693415  SOLV      164             0.0000000000
       876       167  SWM4      H1             -2.4261082956      -14.4942377416      -12.0110720934  SOLV      164             0.0000000000
       877       167  SWM4      H2             -2.1680785163      -15.9464870837      -11.6701223334  SOLV      164             0.0000000000
       878       168  SWM4      OH2           -14.4752893458        0.6544020285      -12.2550723964  SOLV      165             0.0000000000
       879       168  SWM4      DOH2          -14.4538437417        0.7171695167      -12.2714695331  SOLV      165             0.0000000000
       880       168  SWM4      OM            -14.6150320153        0.8338052431      -12.3328684290  SOLV      165             0.0000000000
       881       168  SWM4      H1            -15.1602985512        0.6162904993      -12.9225625059  SOLV      165             0.0000000000
       882       168  SWM4      H2            -14.4715695028        1.5671609130      -11.9668623891  SOLV      165             0.0000000000
       883       169  SWM4      OH2           -12.5153293994      -13.3776680149      -14.7101724850  SOLV      166             0.0000000000
       884       169  SWM4      DOH2          -12.5781766002      -13.4479929626      -14.7371675632  SOLV      166             0.0000000000
       885       169  SWM4      OM            -12.2866312525      -13.4461399264      -14.6823442719  SOLV      166             0.0000000000
       886       169  SWM4      H1            -12.0239901543      -14.0074286304      -15.2376223548  SOLV      166             0.0000000000
       887       169  SWM4      H2            -11.8916999294      -13.0817280129      -14.0470524890  SOLV      166             0.0000000000
       888       170  SWM4      OH2            -7.4893194143      -13.0845179110      -12.2531224567  SOLV      167             0.0000000000
       889       170  SWM4      DOH2           -7.4850033218      -13.1211050386      -12.3071854431  SOLV      167             0.0000000000
       890       170  SWM4      OM             -7.4637309823      -13.0461429989      -12.0172447577  SOLV      167             0.0000000000
       891       170  SWM4      H1             -7.3111892276      -13.7311981994      -11.5702626051  SOLV      167             0.0000000000
       892       170  SWM4      H2             -7.5426987129      -12.2507489120      -11.7860129775  SOLV      167             0.0000000000
       893       171  SWM4      OH2            -5.6109394132        1.8638920337      -13.8574524520  SOLV      168             0.0000000000
       894       171  SWM4      DOH2           -5.6347917203        1.8859867907      -13.7948745524  SOLV      168             0.0000000000
       895       171  SWM4      OM             -5.4839129950        1.8490297444      -14.0609446297  SOLV      168             0.0000000000
       896       171  SWM4      H1             -4.7449200365        2.2306326840      -14.0356316716  SOLV      168             0.0000000000
       897       171  SWM4      H2             -5.8576586016        1.4246925709      -14.6713717411  SOLV      168             0.0000000000
       898       172  SWM4      OH2             1.0980205842        1.4269220313      -11.1783424066  SOLV      169             0.0000000000
       899       172  SWM4      DOH2            1.0767315066        1.3998955880      -11.1164245075  SOLV      169             0.0000000000
       900       172  SWM4      OM              1.0501714067        1.4290184752      -11.4138668932  SOLV      169             0.0000000000
       901       172  SWM4      H1              0.9037316246        0.6791327137      -11.7433828288  SOLV      169             0.0000000000
       902       172  SWM4      H2              1.0590312785        2.1849323373      -11.7615514695  SOLV      169             0.0000000000
       903       173  SWM4      OH2           -13.2547794594      -14.5774379758        0.5614275596  SOLV      170             0.0000000000
       904       173  SWM4      DOH2          -13.3338234697      -14.5633746732        0.5926637623  SOLV      170             0.0000000000
       905       173  SWM4      OM            -13.1426490271      -14.7285501095        0.7109521261  SOLV      170             0.0000000000
       906       173  SWM4      H1            -13.6209585846      -15.3431774005        1.0038964509  SOLV      170             0.0000000000
       907       173  SWM4      H2            -12.3419301943      -14.5484165710        0.8479367904  SOLV      170             0.0000000000
       908       174  SWM4      OH2           -11.2816993820      -15.2269979774        2.0971375650  SOLV      171             0.0000000000
       909       174  SWM4      DOH2          -11.3496464608      -15.1806486207        2.1813522538  SOLV      171             0.0000000000
       910       174  SWM4      OM            -11.1767480270      -15.4354730218        2.1544875949  SOLV      171             0.0000000000
       911       174  SWM4      H1            -10.3833404011      -15.5009780110        1.9124770986  SOLV      171             0.0000000000
       912       174  SWM4      H2            -11.6683887666      -15.9693961957        2.5613963875  SOLV      171             0.0000000000
       913       175  SWM4      OH2           -12.6571694578        1.5744820232      -15.2298624266  SOLV      172             0.0000000000
       914       175  SWM4      DOH2          -12.6389304760        1.6509553338      -15.2655539522  SOLV      172             0.0000000000
       915       175  SWM4      OM            -12.5538480766        1.5211951170      -15.0195034722  SOLV      172             0.0000000000
       916       175  SWM4      H1            -12.9247085739        1.8607728048      -14.3565523975  SOLV      172             0.0000000000
       917       175  SWM4      H2            -11.8859092486        1.0284025288      -15.0776122235  SOLV      172             0.0000000000
       918       176  SWM4      OH2            14.7216805327       -5.9353979583       -8.9974424289  SOLV      173             0.0000000000
       919       176  SWM4      DOH2           14.7460865480       -5.9679805865       -9.0116565150  SOLV      173             0.0000000000
       920       176  SWM4      OM             14.6090467372       -5.7982879529       -9.1595538578  SOLV      173             0.0000000000
       921       176  SWM4      H1             14.8107908040       -4.9915791076       -9.1297329618  SOLV      173             0.0000000000
       922       176  SWM4      H2             14.0834408630       -6.2107577741       -9.6555014731  SOLV      173             0.0000000000
       923       177  SWM4      OH2            13.6548105846       -6.6803279648       -5.5786224463  SOLV      174             0.0000000000
       924       177  SWM4      DOH2           13.6540366267       -6.7112733200       -5.5869197024  SOLV      174             0.0000000000
       925       177  SWM4      OM             13.5808464344       -6.9086058225       -5.5921949714  SOLV      174             0.0000000000
       926       177  SWM4      H1             13.6165596454       -7.3266983636       -4.8736625747  SOLV      174             0.0000000000
       927       177  SWM4      H2             13.3324614264       -7.1468888360       -6.3497531476  SOLV      174             0.0000000000
       928       178  SWM4      OH2             6.0233105967       -7.0661179569       -3.9856324239  SOLV      175             0.0000000000
       929       178  SWM4      DOH2            5.9618739543       -7.0146227685       -3.9840718066  SOLV      175             0.0000000000
       930       178  SWM4      OM              6.1759106048       -7.0664891000       -3.7999478598  SOLV      175             0.0000000000
       931       178  SWM4      H1              6.0645207936       -7.6917871205       -3.2623925072  SOLV      175             0.0000000000
       932       178  SWM4      H2              6.7260814121       -6.4422579648       -3.8035921466  SOLV      175             0.0000000000
       933       179  SWM4      OH2             6.9466205911       -2.6162279618       -5.4507224542  SOLV      176             0.0000000000
       934       179  SWM4      DOH2            6.8734397507       -2.5113266527       -5.4302603641  SOLV      176             0.0000000000
       935       179  SWM4      OM              7.0638699661       -2.8152825289       -5.5170213640  SOLV      176             0.0000000000
       936       179  SWM4      H1              6.5771401394       -3.4181756780       -5.8202925702  SOLV      176             0.0000000000
       937       179  SWM4      H2              7.8877307079       -2.7847367104       -5.4043815612  SOLV      176             0.0000000000
       938       180  SWM4      OH2             3.5566705943       -8.9559679524      -10.0578424242  SOLV      177             0.0000000000
       939       180  SWM4      DOH2            3.6039355031       -8.9137783252      -10.1060184835  SOLV      177             0.0000000000
       940       180  SWM4      OM              3.3498065864       -8.9013485864      -10.1673398921  SOLV      177             0.0000000000
       941       180  SWM4      H1              3.1090117611       -8.1100990263      -10.0761926143  SOLV      177             0.0000000000
       942       180  SWM4      H2              2.9957908094       -9.5355470212      -10.5733331059  SOLV      177             0.0000000000
       943       181  SWM4      OH2             4.2672805922       -6.7940079264       -7.9320424071  SOLV      178             0.0000000000
       944       181  SWM4      DOH2            4.1711523173       -6.6777060303       -7.9598812679  SOLV      178             0.0000000000
       945       181  SWM4      OM              4.4623681186       -6.9335211287       -7.9476191435  SOLV      178             0.0000000000
       946       181  SWM4      H1              4.4806289015       -7.5638459637       -7.4047423679  SOLV      178             0.0000000000
       947       181  SWM4      H2              5.0050396734       -6.7043357433       -8.5352834174  SOLV      178             0.0000000000
       948       182  SWM4      OH2            14.4723806244        1.3628820285       -7.0650724662  SOLV      179             0.0000000000
       949       182  SWM4      DOH2           14.4555281131        1.4334482047       -7.0566241897  SOLV      179             0.0000000000
       950       182  SWM4      OM             14.5567603372        1.1794171972       -6.9347405695  SOLV      179             0.0000000000
       951       182  SWM4      H1             15.0920198222        0.6863518960       -7.3381533178  SOLV      179             0.0000000000
       952       182  SWM4      H2             14.2641193571        1.1449627155       -6.1565824473  SOLV      179             0.0000000000
       953       183  SWM4      OH2            12.0442506023       -4.2481879762       -5.1725224309  SOLV      180             0.0000000000
       954       183  SWM4      DOH2           11.9896655368       -4.1495537975       -5.1009411367  SOLV      180             0.0000000000
       955       183  SWM4      OM             12.2545311923       -4.3644853035       -5.1677616743  SOLV      180             0.0000000000
       956       183  SWM4      H1             12.3480398478       -4.9340462922       -5.7671114457  SOLV      180             0.0000000000
       957       183  SWM4      H2             12.7656492185       -4.1293176507       -4.5547229961  SOLV      180             0.0000000000
       958       184  SWM4      OH2            15.1849505896       -9.8539479377       -4.8450424194  SOLV      181             0.0000000000
       959       184  SWM4      DOH2           15.0802051961       -9.8027213034       -4.7067184671  SOLV      181             0.0000000000
       960       184  SWM4      OM             15.1924352139      -10.0055928497       -5.0313580932  SOLV      181             0.0000000000
       961       184  SWM4      H1             15.3275409516      -10.8002465930       -4.8248817116  SOLV      181             0.0000000000
       962       184  SWM4      H2             15.0788502134       -9.6469668714       -5.7735524381  SOLV      181             0.0000000000
       963       185  SWM4      OH2             8.3397805242      -11.7523079767       -7.5725624263  SOLV      182             0.0000000000
       964       185  SWM4      DOH2            8.3244726842      -11.7685306092       -7.4628715289  SOLV      182             0.0000000000
       965       185  SWM4      OM              8.2547658411      -11.6892727720       -7.7883510513  SOLV      182             0.0000000000
       966       185  SWM4      H1              8.3828914006      -10.8924579387       -7.9909323726  SOLV      182             0.0000000000
       967       185  SWM4      H2              7.8821911240      -12.3048379289       -8.2062422394  SOLV      182             0.0000000000
       968       186  SWM4      OH2             4.9599306143       -9.3557279773       -6.8104224248  SOLV      183             0.0000000000
       969       186  SWM4      DOH2            4.9246600492       -9.3312578356       -6.8573401283  SOLV      183             0.0000000000
       970       186  SWM4      OM              5.0989145044       -9.5247285927       -6.9098605164  SOLV      183             0.0000000000
       971       186  SWM4      H1              5.6135895333       -9.9055576253       -6.3784147623  SOLV      183             0.0000000000
       972       186  SWM4      H2              4.9838606091       -9.6298278719       -7.7272212261  SOLV      183             0.0000000000
       973       187  SWM4      OH2            10.1163805287       -7.8055979902       -7.5952724532  SOLV      184             0.0000000000
       974       187  SWM4      DOH2           10.1280078800       -7.8520972415       -7.6197371860  SOLV      184             0.0000000000
       975       187  SWM4      OM             10.1225300527       -8.0448828823       -7.5735794689  SOLV      184             0.0000000000
       976       187  SWM4      H1             10.7324792840       -8.3320575625       -7.0858734731  SOLV      184             0.0000000000
       977       187  SWM4      H2              9.5302621554       -8.4457262636       -7.9989115457  SOLV      184             0.0000000000
       978       188  SWM4      OH2             7.1499705752      -12.8344679803       -3.4984824483  SOLV      185             0.0000000000
       979       188  SWM4      DOH2            7.1347029710      -12.8611958126       -3.5081792290  SOLV      185             0.0000000000
       980       188  SWM4      OM              6.9680852173      -12.6792745917       -3.5229446548  SOLV      185             0.0000000000
       981       188  SWM4      H1              6.9311406814      -12.3044091230       -4.2648805789  SOLV      185             0.0000000000
       982       188  SWM4      H2              6.4820613811      -12.6079184514       -2.8513440649  SOLV      185             0.0000000000
       983       189  SWM4      OH2            14.5189505737       -3.3343579849       -9.9545724900  SOLV      186             0.0000000000
       984       189  SWM4      DOH2           14.5913321702       -3.3696479929       -9.9179006939  SOLV      186             0.0000000000
       985       189  SWM4      OM             14.3918399735       -3.2160280774      -10.1207246933  SOLV      186             0.0000000000
       986       189  SWM4      H1             14.2234616826       -3.6571294898      -10.8058819660  SOLV      186             0.0000000000
       987       189  SWM4      H2             14.1947320744       -2.4346880108       -9.9133122574  SOLV      186             0.0000000000
       988       190  SWM4      OH2             9.7191105167       -5.1588979934       -3.2111124473  SOLV      187             0.0000000000
       989       190  SWM4      DOH2            9.7119369127       -5.2524383088       -3.1960429765  SOLV      187             0.0000000000
       990       190  SWM4      OM              9.7137491791       -4.9225847562       -3.2546211946  SOLV      187             0.0000000000
       991       190  SWM4      H1              8.9790221021       -4.5607484916       -3.1075922889  SOLV      187             0.0000000000
       992       190  SWM4      H2             10.4330601593       -4.6049389241       -3.5267529905  SOLV      187             0.0000000000
       993       191  SWM4      OH2             6.7437005625      -10.9422880283       -5.5462624350  SOLV      188             0.0000000000
       994       191  SWM4      DOH2            6.6732521336      -10.9135945024       -5.6059396627  SOLV      188             0.0000000000
       995       191  SWM4      OM              6.9745987238      -10.9094163228       -5.6043246160  SOLV      188             0.0000000000
       996       191  SWM4      H1              7.3573298470      -10.3095284996       -5.1730236417  SOLV      188             0.0000000000
       997       191  SWM4      H2              7.2557721271      -11.4147883020       -6.2025728181  SOLV      188             0.0000000000
       998       192  SWM4      OH2             8.1265406087       -3.1945979720       -2.4239624292  SOLV      189             0.0000000000
       999       192  SWM4      DOH2            8.1946237211       -3.3288896510       -2.3492384993  SOLV      189             0.0000000000
      1000       192  SWM4      OM              7.9503825966       -3.0313759483       -2.4143384074  SOLV      189             0.0000000000
      1001       192  SWM4      H1              8.1213010898       -2.3152480989       -2.8020308357  SOLV      189             0.0000000000
      1002       192  SWM4      H2              7.2729535046       -3.2781874599       -1.9989736429  SOLV      189             0.0000000000
      1003       193  SWM4      OH2             4.2476305834       -3.5238079728      -11.6420325199  SOLV      190             0.0000000000
      1004       193  SWM4      DOH2            4.2588177654       -3.5158786140      -11.7073929846  SOLV      190             0.0000000000
      1005       193  SWM4      OM              4.2012050390       -3.3049541976      -11.7298581058  SOLV      190             0.0000000000
      1006       193  SWM4      H1              3.9757217571       -3.2947078707      -12.5307399532  SOLV      190             0.0000000000
      1007       193  SWM4      H2              4.2932004470       -2.6859270085      -11.1815026343  SOLV      190             0.0000000000
      1008       194  SWM4      OH2            13.4429305619       -6.6913979809      -11.5454124635  SOLV      191             0.0000000000
      1009       194  SWM4      DOH2           13.4732787951       -6.7823662910      -11.5128176278  SOLV      191             0.0000000000
      1010       194  SWM4      OM             13.4387277529       -6.5703426387      -11.7530024330  SOLV      191             0.0000000000
      1011       194  SWM4      H1             12.7314802366       -6.1564289876      -11.8973617455  SOLV      191             0.0000000000
      1012       194  SWM4      H2             14.1338907689       -6.6361888273      -12.2055222243  SOLV      191             0.0000000000
      1013       195  SWM4      OH2            13.4968505194       -8.2339679403      -14.5069124992  SOLV      192             0.0000000000
      1014       195  SWM4      DOH2           13.5128033663       -8.2537780891      -14.5753074383  SOLV      192             0.0000000000
      1015       195  SWM4      OM             13.7026373624       -8.3581317221      -14.5078701741  SOLV      192             0.0000000000
      1016       195  SWM4      H1             14.1978407564       -8.2112783997      -13.8555126582  SOLV      192             0.0000000000
      1017       195  SWM4      H2             13.7991398278       -8.8619974929      -15.1629817339  SOLV      192             0.0000000000
      1018       196  SWM4      OH2             8.4940705707       -5.8514479656       -8.7113224333  SOLV      193             0.0000000000
      1019       196  SWM4      DOH2            8.5038952410       -5.8079491490       -8.7002771032  SOLV      193             0.0000000000
      1020       196  SWM4      OM              8.5469757982       -6.0650244427       -8.8080272519  SOLV      193             0.0000000000
      1021       196  SWM4      H1              8.1635915041       -6.2221074363       -9.5296218609  SOLV      193             0.0000000000
      1022       196  SWM4      H2              9.0824810239       -6.5220474492       -8.3644922668  SOLV      193             0.0000000000
      1023       197  SWM4      OH2             9.8608205410       -2.4233879632       -6.0301024196  SOLV      194             0.0000000000
      1024       197  SWM4      DOH2            9.8178782835       -2.3947855839       -5.9740818069  SOLV      194             0.0000000000
      1025       197  SWM4      OM              9.9909628997       -2.6182699506       -6.0834850907  SOLV      194             0.0000000000
      1026       197  SWM4      H1              9.7659506499       -3.0020767668       -6.7866416665  SOLV      194             0.0000000000
      1027       197  SWM4      H2             10.5901798964       -2.7948172637       -5.5338222143  SOLV      194             0.0000000000
      1028       198  SWM4      OH2             8.8606205520       -7.0828879456       -5.0778224272  SOLV      195             0.0000000000
      1029       198  SWM4      DOH2            8.8689987698       -7.1354480251       -5.1142026147  SOLV      195             0.0000000000
      1030       198  SWM4      OM              9.0419687396       -6.9272237326       -5.1032622198  SOLV      195             0.0000000000
      1031       198  SWM4      H1              9.4258695023       -6.9614681588       -5.8407020753  SOLV      195             0.0000000000
      1032       198  SWM4      H2              9.1795092816       -6.4453878048       -4.4389704944  SOLV      195             0.0000000000
      1033       199  SWM4      OH2            15.1698405840       -1.5796979674       -4.3437724637  SOLV      196             0.0000000000
      1034       199  SWM4      DOH2           15.1832585542       -1.5361828624       -4.3650285208  SOLV      196             0.0000000000
      1035       199  SWM4      OM             15.0798935012       -1.6150126153       -4.1237085934  SOLV      196             0.0000000000
      1036       199  SWM4      H1             14.9294998040       -0.9173896282       -3.6958532501  SOLV      196             0.0000000000
      1037       199  SWM4      H2             14.9716616239       -2.4141759972       -3.9188129352  SOLV      196             0.0000000000
      1038       200  SWM4      OH2             9.7406906273       -2.6836179715       -0.3606324395  SOLV      197             0.0000000000
      1039       200  SWM4      DOH2            9.7125139272       -2.8037176801       -0.3013441880  SOLV      197             0.0000000000
      1040       200  SWM4      OM              9.5435278642       -2.5545533800       -0.4079071399  SOLV      197             0.0000000000
      1041       200  SWM4      H1              9.4294408892       -1.9012961673        0.0946890362  SOLV      197             0.0000000000
      1042       200  SWM4      H2              9.0907108386       -2.8367095951       -1.0464325844  SOLV      197             0.0000000000
      1043       201  SWM4      OH2             6.6606806118       -6.4855079986       -1.1320624464  SOLV      198             0.0000000000
      1044       201  SWM4      DOH2            6.6823277658       -6.6038658241       -1.1860013411  SOLV      198             0.0000000000
      1045       201  SWM4      OM              6.4923916293       -6.3309679450       -1.0574841967  SOLV      198             0.0000000000
      1046       201  SWM4      H1              6.7310019293       -5.8348289510       -0.4335630090  SOLV      198             0.0000000000
      1047       201  SWM4      H2              5.7699023191       -6.3827601240       -1.4669711490  SOLV      198             0.0000000000
      1048       202  SWM4      OH2            13.4461405785       -0.5829279728       -9.4733924130  SOLV      199             0.0000000000
      1049       202  SWM4      DOH2           13.5006744440       -0.5926448597       -9.4425040867  SOLV      199             0.0000000000
      1050       202  SWM4      OM             13.4278223537       -0.3708847695       -9.3617331780  SOLV      199             0.0000000000
      1051       202  SWM4      H1             13.9199016992       -0.2872986334       -8.6959720549  SOLV      199             0.0000000000
      1052       202  SWM4      H2             12.8830716230        0.1552318916       -9.7064322167  SOLV      199             0.0000000000
      1053       203  SWM4      OH2             7.4843406081       -6.7820180156      -11.1220425264  SOLV      200             0.0000000000
      1054       203  SWM4      DOH2            7.5013434618       -6.8151212650      -11.1493430972  SOLV      200             0.0000000000
      1055       203  SWM4      OM              7.2861289021       -6.7597034142      -11.2561313751  SOLV      200             0.0000000000
      1056       203  SWM4      H1              7.1924707108       -6.0138469819      -11.6129121911  SOLV      200             0.0000000000
      1057       203  SWM4      H2              6.8098603225       -7.4413978118      -11.2849029348  SOLV      200             0.0000000000
      1058       204  SWM4      OH2             3.5773505910       -4.4190979760       -2.3070624523  SOLV      201             0.0000000000
      1059       204  SWM4      DOH2            3.5418240466       -4.4555753100       -2.2327189681  SOLV      201             0.0000000000
      1060       204  SWM4      OM              3.4756561501       -4.6106223401       -2.4107076583  SOLV      201             0.0000000000
      1061       204  SWM4      H1              3.0761900854       -4.4471576665       -3.1220938040  SOLV      201             0.0000000000
      1062       204  SWM4      H2              3.5827207143       -5.3247754401       -1.9973323501  SOLV      201             0.0000000000
      1063       205  SWM4      OH2             3.3276206018       -1.6387179723       -5.4230424474  SOLV      202             0.0000000000
      1064       205  SWM4      DOH2            3.3167571352       -1.5702251110       -5.4190803415  SOLV      202             0.0000000000
      1065       205  SWM4      OM              3.4986232987       -1.5074482701       -5.3167785455  SOLV      202             0.0000000000
      1066       205  SWM4      H1              4.2736804722       -1.7830158833       -5.4420920759  SOLV      202             0.0000000000
      1067       205  SWM4      H2              3.2152519451       -0.8544397350       -4.8859237946  SOLV      202             0.0000000000
      1068       206  SWM4      OH2            12.5038705792       -1.3988279740       -0.8645324434  SOLV      203             0.0000000000
      1069       206  SWM4      DOH2           12.4866307743       -1.4636797585       -0.9382767270  SOLV      203             0.0000000000
      1070       206  SWM4      OM             12.3446956240       -1.2969184404       -0.7160620586  SOLV      203             0.0000000000
      1071       206  SWM4      H1             12.5913318633       -0.5723664731       -0.3896218009  SOLV      203             0.0000000000
      1072       206  SWM4      H2             11.6403823896       -1.7284486574       -0.6156039922  SOLV      203             0.0000000000
      1073       207  SWM4      OH2            12.9184505247        2.3735420301      -11.0584724395  SOLV      204             0.0000000000
      1074       207  SWM4      DOH2           12.9647581614        2.3960553837      -11.0439385298  SOLV      204             0.0000000000
      1075       207  SWM4      OM             12.9097269263        2.5433766219      -11.2283129043  SOLV      204             0.0000000000
      1076       207  SWM4      H1             12.8430502300        2.2522630727      -12.0049507928  SOLV      204             0.0000000000
      1077       207  SWM4      H2             12.9513201974        3.3228116288      -10.9400130257  SOLV      204             0.0000000000
      1078       208  SWM4      OH2             6.5718305940        1.1622420376       -9.2775724689  SOLV      205             0.0000000000
      1079       208  SWM4      DOH2            6.4870868185        1.2092912194       -9.2405732311  SOLV      205             0.0000000000
      1080       208  SWM4      OM              6.4284717172        1.0177942316       -9.1497101336  SOLV      205             0.0000000000
      1081       208  SWM4      H1              6.7238705188        0.8142828795       -8.3989237461  SOLV      205             0.0000000000
      1082       208  SWM4      H2              5.7208714109        0.8059733579       -9.5328527925  SOLV      205             0.0000000000
      1083       209  SWM4      OH2            15.6888606309        1.4532720273      -11.3070125052  SOLV      206             0.0000000000
      1084       209  SWM4      DOH2           15.7172670727        1.5127419413      -11.2599536812  SOLV      206             0.0000000000
      1085       209  SWM4      OM             15.5545454142        1.3283140882      -11.1517362766  SOLV      206             0.0000000000
      1086       209  SWM4      H1             14.7538417815        1.5534625989      -11.1283123950  SOLV      206             0.0000000000
      1087       209  SWM4      H2             15.9690510434        0.7438721839      -10.7286925385  SOLV      206             0.0000000000
      1088       210  SWM4      OH2             8.4452005717      -14.6255079318       -5.2683624518  SOLV      207             0.0000000000
      1089       210  SWM4      DOH2            8.4351890128      -14.6211924787       -5.3081280511  SOLV      207             0.0000000000
      1090       210  SWM4      OM              8.2638701003      -14.4678121054       -5.2642500308  SOLV      207             0.0000000000
      1091       210  SWM4      H1              7.5835724541      -14.7126874762       -5.6760735313  SOLV      207             0.0000000000
      1092       210  SWM4      H2              8.4227707379      -13.7694980914       -4.8406018896  SOLV      207             0.0000000000
      1093       211  SWM4      OH2            13.1079805184      -14.9034680200       -1.8936624350  SOLV      208             0.0000000000
      1094       211  SWM4      DOH2           13.1924208302      -14.9037845945       -1.9006651077  SOLV      208             0.0000000000
      1095       211  SWM4      OM             13.0028131748      -15.0252972576       -1.7151601462  SOLV      208             0.0000000000
      1096       211  SWM4      H1             13.5282915469      -15.3187585067       -1.1406018986  SOLV      208             0.0000000000
      1097       211  SWM4      H2             12.1749423630      -15.0821374340       -1.7764627246  SOLV      208             0.0000000000
      1098       212  SWM4      OH2            12.7697105610      -12.4111279894      -14.6085823747  SOLV      209             0.0000000000
      1099       212  SWM4      DOH2           12.8396488618      -12.3800079934      -14.6034704594  SOLV      209             0.0000000000
      1100       212  SWM4      OM             12.6650382140      -12.5859481170      -14.4811177847  SOLV      209             0.0000000000
      1101       212  SWM4      H1             12.5161917162      -12.3919674321      -13.6857733764  SOLV      209             0.0000000000
      1102       212  SWM4      H2             12.5129208740      -13.2825883385      -14.9099638023  SOLV      209             0.0000000000
      1103       213  SWM4      OH2             8.5362106763       -9.6600579188       -4.1733424219  SOLV      210             0.0000000000
      1104       213  SWM4      DOH2            8.5554179883       -9.6329577257       -4.1554319560  SOLV      210             0.0000000000
      1105       213  SWM4      OM              8.4121999825       -9.4782850444       -4.0766695491  SOLV      210             0.0000000000
      1106       213  SWM4      H1              7.8944214829       -9.7003289203       -3.4643346697  SOLV      210             0.0000000000
      1107       213  SWM4      H2              8.5734116393       -8.7335897314       -4.4110409414  SOLV      210             0.0000000000
      1108       214  SWM4      OH2             8.5331205357       -9.4390478981       -9.2613424392  SOLV      211             0.0000000000
      1109       214  SWM4      DOH2            8.5957716460       -9.4750339086       -9.2809503476  SOLV      211             0.0000000000
      1110       214  SWM4      OM              8.4424497015       -9.5861774333       -9.4283676285  SOLV      211             0.0000000000
      1111       214  SWM4      H1              7.6404129374       -9.7794394465       -9.3199632157  SOLV      211             0.0000000000
      1112       214  SWM4      H2              8.9837802591       -9.8159569052      -10.0170197524  SOLV      211             0.0000000000
      1113       215  SWM4      OH2            14.0686705711       -9.0230179441      -10.4442624529  SOLV      212             0.0000000000
      1114       215  SWM4      DOH2           14.0877700396       -9.1257261700      -10.4782739939  SOLV      212             0.0000000000
      1115       215  SWM4      OM             14.1325935841       -8.8845948350      -10.6300541100  SOLV      212             0.0000000000
      1116       215  SWM4      H1             13.6597005799       -8.2081581232      -10.7357824440  SOLV      212             0.0000000000
      1117       215  SWM4      H2             14.7892912602       -9.1630086316      -11.0585526097  SOLV      212             0.0000000000
      1118       216  SWM4      OH2            13.1708305853       -8.8473779695        1.0438075698  SOLV      213             0.0000000000
      1119       216  SWM4      DOH2           13.1843927754       -8.8483862568        1.0477259527  SOLV      213             0.0000000000
      1120       216  SWM4      OM             13.2249232499       -9.0167292782        1.2055474715  SOLV      213             0.0000000000
      1121       216  SWM4      H1             12.6082132894       -9.5522171217        1.3645886504  SOLV      213             0.0000000000
      1122       216  SWM4      H2             13.9971697429       -8.9681883857        1.5115681477  SOLV      213             0.0000000000
      1123       217  SWM4      OH2            15.0734405722       -9.5769779332       -7.6302924494  SOLV      214             0.0000000000
      1124       217  SWM4      DOH2           15.0269453149       -9.6401621124       -7.5486353467  SOLV      214             0.0000000000
      1125       217  SWM4      OM             15.0705096216       -9.6237033258       -7.8660334583  SOLV      214             0.0000000000
      1126       217  SWM4      H1             14.8778913487       -8.9712987739       -8.3452325754  SOLV      214             0.0000000000
      1127       217  SWM4      H2             15.2547005042      -10.4104574018       -8.0646619769  SOLV      214             0.0000000000
      1128       218  SWM4      OH2             6.2862605961       -9.3397080544       -2.3061424296  SOLV      215             0.0000000000
      1129       218  SWM4      DOH2            6.3280464815       -9.3305266379       -2.2292161017  SOLV      215             0.0000000000
      1130       218  SWM4      OM              6.1777650369       -9.4251583335       -2.1094380863  SOLV      215             0.0000000000
      1131       218  SWM4      H1              6.2481993590       -8.9395481698       -1.4374342667  SOLV      215             0.0000000000
      1132       218  SWM4      H2              5.7953696177      -10.1564669339       -2.2158517692  SOLV      215             0.0000000000
      1133       219  SWM4      OH2             9.6520005724      -11.9654779085      -15.5075424207  SOLV      216             0.0000000000
      1134       219  SWM4      DOH2            9.6657038188      -11.9078063848      -15.4911865329  SOLV      216             0.0000000000
      1135       219  SWM4      OM              9.4163117986      -11.9805252359      -15.4629325700  SOLV      216             0.0000000000
      1136       219  SWM4      H1              9.2210705911      -12.4104688423      -14.7778044988  SOLV      216             0.0000000000
      1137       219  SWM4      H2              8.9338701399      -11.5938471176      -16.0197930069  SOLV      216             0.0000000000
      1138       220  SWM4      OH2             2.8943405997      -12.2235280370       -8.4556724733  SOLV      217             0.0000000000
      1139       220  SWM4      DOH2            2.9019263822      -12.2377584914       -8.4752444957  SOLV      217             0.0000000000
      1140       220  SWM4      OM              3.1159071828      -12.3166342733       -8.4579328703  SOLV      217             0.0000000000
      1141       220  SWM4      H1              3.5251100293      -12.2523172603       -7.7362834466  SOLV      217             0.0000000000
      1142       220  SWM4      H2              3.3437705255      -12.6486583696       -9.1860819494  SOLV      217             0.0000000000
      1143       221  SWM4      OH2             4.1685505785      -11.4773279659      -13.0316324114  SOLV      218             0.0000000000
      1144       221  SWM4      DOH2            4.2162011415      -11.5555171928      -13.1008195993  SOLV      218             0.0000000000
      1145       221  SWM4      OM              4.1186686134      -11.2473359395      -13.0804292431  SOLV      218             0.0000000000
      1146       221  SWM4      H1              4.6427211276      -10.8863380813      -13.6165409960  SOLV      218             0.0000000000
      1147       221  SWM4      H2              3.4511906761      -10.9470385566      -12.6846223298  SOLV      218             0.0000000000
      1148       222  SWM4      OH2            14.3373605262       -7.9388479890       -2.9590524262  SOLV      219             0.0000000000
      1149       222  SWM4      DOH2           14.3400751083       -7.7797685787       -3.0003222823  SOLV      219             0.0000000000
      1150       222  SWM4      OM             14.3134466553       -8.1779723457       -2.9554035887  SOLV      219             0.0000000000
      1151       222  SWM4      H1             14.6608405315       -8.5698772106       -3.6020030101  SOLV      219             0.0000000000
      1152       222  SWM4      H2             13.8972925794       -8.4736263506       -2.2983126236  SOLV      219             0.0000000000
      1153       223  SWM4      OH2            11.1146506393      -12.0112979998       -8.1749324846  SOLV      220             0.0000000000
      1154       223  SWM4      DOH2           11.1735715502      -11.9943361539       -8.2179540883  SOLV      220             0.0000000000
      1155       223  SWM4      OM             11.0314566147      -12.0120709701       -7.9494465227  SOLV      220             0.0000000000
      1156       223  SWM4      H1             10.2037625810      -11.9546165540       -7.8863321827  SOLV      220             0.0000000000
      1157       223  SWM4      H2             11.6199409255      -12.0717478718       -7.3642141544  SOLV      220             0.0000000000
      1158       224  SWM4      OH2             5.9429905932      -10.3826679704       -9.3481724087  SOLV      221             0.0000000000
      1159       224  SWM4      DOH2            5.9743141766      -10.2939312531       -9.3389464029  SOLV      221             0.0000000000
      1160       224  SWM4      OM              5.8214180578      -10.5348933375       -9.4889320097  SOLV      221             0.0000000000
      1161       224  SWM4      H1              5.0537922213      -10.2831184491       -9.6882121217  SOLV      221             0.0000000000
      1162       224  SWM4      H2              6.2394832076      -11.2243666770       -9.6943822779  SOLV      221             0.0000000000
      1163       225  SWM4      OH2             9.5961706703      -10.3824079161      -11.6917124118  SOLV      222             0.0000000000
      1164       225  SWM4      DOH2            9.5469803613      -10.3800923190      -11.6781473800  SOLV      222             0.0000000000
      1165       225  SWM4      OM              9.7431511892      -10.2186387834      -11.7883662824  SOLV      222             0.0000000000
      1166       225  SWM4      H1             10.5277209779      -10.2534079968      -11.5134026819  SOLV      222             0.0000000000
      1167       225  SWM4      H2              9.3812003062       -9.7129780227      -12.3412418344  SOLV      222             0.0000000000
      1168       226  SWM4      OH2            15.5198405820      -12.7766680166       -4.9107524616  SOLV      223             0.0000000000
      1169       226  SWM4      DOH2           15.6353497123      -12.7662227406       -4.9172702527  SOLV      223             0.0000000000
      1170       226  SWM4      OM             15.2814251326      -12.7815373275       -4.9407528640  SOLV      223             0.0000000000
      1171       226  SWM4      H1             14.8430031782      -12.6453580428       -4.2467828094  SOLV      223             0.0000000000
      1172       226  SWM4      H2             15.0343327429      -12.9317176334       -5.7209834099  SOLV      223             0.0000000000
      1173       227  SWM4      OH2             8.2701905728       -9.1881879632      -14.1251024426  SOLV      224             0.0000000000
      1174       227  SWM4      DOH2            8.2015772343       -9.1974377423      -14.1018025466  SOLV      224             0.0000000000
      1175       227  SWM4      OM              8.3298799957       -9.2261654555      -14.3547991261  SOLV      224             0.0000000000
      1176       227  SWM4      H1              7.7277023302       -9.5678080065      -14.8163423722  SOLV      224             0.0000000000
      1177       227  SWM4      H2              9.1036803791       -8.9937179561      -14.5536935875  SOLV      224             0.0000000000
      1178       228  SWM4      OH2             6.4053305492       -4.6309979912        0.9740575585  SOLV      225             0.0000000000
      1179       228  SWM4      DOH2            6.4711562503       -4.5995447333        1.0325767033  SOLV      225             0.0000000000
      1180       228  SWM4      OM              6.3955076337       -4.5368231704        1.1949654686  SOLV      225             0.0000000000
      1181       228  SWM4      H1              7.1375686920       -4.3764089886        1.5355068659  SOLV      225             0.0000000000
      1182       228  SWM4      H2              5.6252025176       -4.4264577673        1.4895982897  SOLV      225             0.0000000000
      1183       229  SWM4      OH2            12.4346205904       -9.2239979538       -6.2879724166  SOLV      226             0.0000000000
      1184       229  SWM4      DOH2           12.4706014051       -9.1244693570       -6.3880801818  SOLV      226             0.0000000000
      1185       229  SWM4      OM             12.5200884319       -9.4430931441       -6.2383917686  SOLV      226             0.0000000000
      1186       229  SWM4      H1             12.9989602737       -9.7703371694       -6.8350119824  SOLV      226             0.0000000000
      1187       229  SWM4      H2             12.2869595326       -9.7458065518       -5.4992137253  SOLV      226             0.0000000000
      1188       230  SWM4      OH2             7.4365905894      -13.0873879692       -9.8694924971  SOLV      227             0.0000000000
      1189       230  SWM4      DOH2            7.5290198890      -13.0520486301       -9.8569775414  SOLV      227             0.0000000000
      1190       230  SWM4      OM              7.5318366609      -13.2721394434       -9.9901603208  SOLV      227             0.0000000000
      1191       230  SWM4      H1              7.1195412442      -13.9898589832       -9.9049531255  SOLV      227             0.0000000000
      1192       230  SWM4      H2              8.2179995334      -13.0856487381      -10.4223325854  SOLV      227             0.0000000000
      1193       231  SWM4      OH2            11.0612106207      -10.8353880001       -3.8739324391  SOLV      228             0.0000000000
      1194       231  SWM4      DOH2           11.0827582550      -10.8094717812       -3.8657792414  SOLV      228             0.0000000000
      1195       231  SWM4      OM             10.9973359782      -10.6856955148       -3.6970768291  SOLV      228             0.0000000000
      1196       231  SWM4      H1             10.2257423205      -10.3814387092       -3.7636916781  SOLV      228             0.0000000000
      1197       231  SWM4      H2             11.5852693455      -10.5595373668       -3.1219439782  SOLV      228             0.0000000000
      1198       232  SWM4      OH2            11.6054705913       -4.6226179982      -12.1892925195  SOLV      229             0.0000000000
      1199       232  SWM4      DOH2           11.6306737863       -4.7192666365      -12.1736144587  SOLV      229             0.0000000000
      1200       232  SWM4      OM             11.4251397994       -4.7166970923      -12.0612469788  SOLV      229             0.0000000000
      1201       232  SWM4      H1             10.8605708803       -5.1300880896      -12.5115012564  SOLV      229             0.0000000000
      1202       232  SWM4      H2             11.4711905651       -4.5738189450      -11.2428149817  SOLV      229             0.0000000000
      1203       233  SWM4      OH2            15.5031505324      -11.8086280271      -13.9900324940  SOLV      230             0.0000000000
      1204       233  SWM4      DOH2           15.5565972183      -11.8050295096      -13.9308562872  SOLV      230             0.0000000000
      1205       233  SWM4      OM             15.3715966282      -11.6100263868      -13.9581472808  SOLV      230             0.0000000000
      1206       233  SWM4      H1             14.5645709398      -11.6970679659      -14.1411513015  SOLV      230             0.0000000000
      1207       233  SWM4      H2             15.8003604926      -10.9519395185      -13.6834629614  SOLV      230             0.0000000000
      1208       234  SWM4      OH2            13.1246805321       -4.4382879888       -0.9523824381  SOLV      231             0.0000000000
      1209       234  SWM4      DOH2           13.0796552958       -4.3932690717       -0.9819746362  SOLV      231             0.0000000000
      1210       234  SWM4      OM             13.0128154572       -4.3251469212       -0.7722409451  SOLV      231             0.0000000000
      1211       234  SWM4      H1             12.7792904494       -4.8200473500       -0.1454228881  SOLV      231             0.0000000000
      1212       234  SWM4      H2             12.9246902626       -3.5049279540       -0.8810916666  SOLV      231             0.0000000000
      1213       235  SWM4      OH2             6.7303006102       -5.3276179676       -6.4195024421  SOLV      232             0.0000000000
      1214       235  SWM4      DOH2            6.7437480282       -5.3814541280       -6.5211906066  SOLV      232             0.0000000000
      1215       235  SWM4      OM              6.8989818248       -5.4970525685       -6.4440835123  SOLV      232             0.0000000000
      1216       235  SWM4      H1              7.4750182757       -5.3300479736       -7.0208511172  SOLV      232             0.0000000000
      1217       235  SWM4      H2              6.8079593176       -6.1512377509       -5.9379948584  SOLV      232             0.0000000000
      1218       236  SWM4      OH2            13.7308805710       -3.1641879878      -13.1638324726  SOLV      233             0.0000000000
      1219       236  SWM4      DOH2           13.7023484618       -3.2162777036      -13.1606049829  SOLV      233             0.0000000000
      1220       236  SWM4      OM             13.5261432243       -3.1216306443      -13.0453538815  SOLV      233             0.0000000000
      1221       236  SWM4      H1             13.4357213345       -2.3373978807      -12.7823521505  SOLV      233             0.0000000000
      1222       236  SWM4      H2             13.0278811276       -3.7834977609      -12.9676928080  SOLV      233             0.0000000000
      1223       237  SWM4      OH2             3.7382705793       -6.8669279567       -1.1046524304  SOLV      234             0.0000000000
      1224       237  SWM4      DOH2            3.6587114759       -6.7838619870       -1.0340786948  SOLV      234             0.0000000000
      1225       237  SWM4      OM              3.6605064602       -7.0783037684       -1.0207554662  SOLV      234             0.0000000000
      1226       237  SWM4      H1              3.9611291562       -7.2849676478       -0.2729024632  SOLV      234             0.0000000000
      1227       237  SWM4      H2              3.1362815395       -7.4794271621       -1.5273719502  SOLV      234             0.0000000000
      1228       238  SWM4      OH2            10.7547606071       -7.3499379659        1.1083175599  SOLV      235             0.0000000000
      1229       238  SWM4      DOH2           10.7636368958       -7.3061983376        1.1648026693  SOLV      235             0.0000000000
      1230       238  SWM4      OM             10.8851313474       -7.4290442425        0.9225452921  SOLV      235             0.0000000000
      1231       238  SWM4      H1             10.4588414521       -7.5156371184        0.2132291302  SOLV      235             0.0000000000
      1232       238  SWM4      H2             11.6862775761       -7.5699060285        1.0977086861  SOLV      235             0.0000000000
      1233       239  SWM4      OH2            15.3750405662       -1.9767379795       -1.0018824370  SOLV      236             0.0000000000
      1234       239  SWM4      DOH2           15.3485591664       -1.9925385200       -0.9323235140  SOLV      236             0.0000000000
      1235       239  SWM4      OM             15.1973188028       -1.8860391946       -0.8678885332  SOLV      236             0.0000000000
      1236       239  SWM4      H1             14.4744708526       -1.7934780797       -1.2694908347  SOLV      236             0.0000000000
      1237       239  SWM4      H2             15.4091501461       -1.7178074289       -0.0810036760  SOLV      236             0.0000000000
      1238       240  SWM4      OH2             9.1052405281       -1.8097979637       -9.0153524796  SOLV      237             0.0000000000
      1239       240  SWM4      DOH2            9.2199995325       -1.9004341021       -9.0535811040  SOLV      237             0.0000000000
      1240       240  SWM4      OM              9.0328488024       -1.6050189903       -9.1182632684  SOLV      237             0.0000000000
      1241       240  SWM4      H1              9.6324599825       -1.0363592146       -9.2154730062  SOLV      237             0.0000000000
      1242       240  SWM4      H2              8.2250890201       -1.5848787749       -9.3169531426  SOLV      237             0.0000000000
      1243       241  SWM4      OH2             4.8600105700       -6.9473879533      -14.4281125307  SOLV      238             0.0000000000
      1244       241  SWM4      DOH2            4.9029467866       -7.0199679107      -14.4272585105  SOLV      238             0.0000000000
      1245       241  SWM4      OM              4.8096041600       -6.7540282880      -14.2945574610  SOLV      238             0.0000000000
      1246       241  SWM4      H1              5.4760007613       -6.3206678672      -14.0486326960  SOLV      238             0.0000000000
      1247       241  SWM4      H2              3.9982704518       -6.6314085712      -14.1564633103  SOLV      238             0.0000000000
      1248       242  SWM4      OH2            10.5324706437       -4.1468079524       -9.4389224254  SOLV      239             0.0000000000
      1249       242  SWM4      DOH2           10.5820509763       -4.1260988147       -9.5387693866  SOLV      239             0.0000000000
      1250       242  SWM4      OM             10.3311261850       -4.0511096269       -9.3491005803  SOLV      239             0.0000000000
      1251       242  SWM4      H1             10.2914708630       -3.2213681586       -9.3973926822  SOLV      239             0.0000000000
      1252       242  SWM4      H2              9.7918307763       -4.6056773040       -9.0425322155  SOLV      239             0.0000000000
      1253       243  SWM4      OH2            11.0471306004        0.0025520259       -3.1238124461  SOLV      240             0.0000000000
      1254       243  SWM4      DOH2           11.0126277445       -0.0228086456       -3.1239547291  SOLV      240             0.0000000000
      1255       243  SWM4      OM             11.2305026465        0.1179754600       -3.0198038153  SOLV      240             0.0000000000
      1256       243  SWM4      H1             11.4096003119        0.8571118848       -3.3573711996  SOLV      240             0.0000000000
      1257       243  SWM4      H2             11.5786491375       -0.2892871518       -2.3831834083  SOLV      240             0.0000000000
      1258       244  SWM4      OH2             9.2155505949        0.8749520303       -9.8937025203  SOLV      241             0.0000000000
      1259       244  SWM4      DOH2            9.2316754221        0.9466644501       -9.9584035884  SOLV      241             0.0000000000
      1260       244  SWM4      OM              9.0928631270        1.0649868703       -9.8124605048  SOLV      241             0.0000000000
      1261       244  SWM4      H1              8.2656010105        0.9806923039       -9.8423725328  SOLV      241             0.0000000000
      1262       244  SWM4      H2              9.5673603179        1.6956911946       -9.5489529509  SOLV      241             0.0000000000
      1263       245  SWM4      OH2            14.5912105552       -3.8983779729       -3.4232524348  SOLV      242             0.0000000000
      1264       245  SWM4      DOH2           14.6739632857       -3.8443041487       -3.4870723236  SOLV      242             0.0000000000
      1265       245  SWM4      OM             14.6229439961       -4.0966538900       -3.2911716507  SOLV      242             0.0000000000
      1266       245  SWM4      H1             14.1653400518       -4.1262082130       -2.5968525841  SOLV      242             0.0000000000
      1267       245  SWM4      H2             15.1717896326       -4.6371963604       -3.6057226632  SOLV      242             0.0000000000
      1268       246  SWM4      OH2             5.3722206113      -12.1136579610       -1.5465124401  SOLV      243             0.0000000000
      1269       246  SWM4      DOH2            5.3819724135      -12.1498283743       -1.5142364270  SOLV      243             0.0000000000
      1270       246  SWM4      OM              5.1688517335      -12.2196714921       -1.4746240126  SOLV      243             0.0000000000
      1271       246  SWM4      H1              4.4794521440      -11.7751182600       -1.6141121860  SOLV      243             0.0000000000
      1272       246  SWM4      H2              5.2734999553      -12.9690481200       -1.1284333462  SOLV      243             0.0000000000
      1273       247  SWM4      OH2             5.0234206163       -0.3092179740       -3.1115724309  SOLV      244             0.0000000000
      1274       247  SWM4      DOH2            4.9699520059       -0.3408220951       -3.1755014616  SOLV      244             0.0000000000
      1275       247  SWM4      OM              5.1184656393       -0.4440302994       -2.9367647222  SOLV      244             0.0000000000
      1276       247  SWM4      H1              5.2404490853       -1.2409755634       -3.1426017417  SOLV      244             0.0000000000
      1277       247  SWM4      H2              5.2697704498       -0.0347181086       -2.2282931364  SOLV      244             0.0000000000
      1278       248  SWM4      OH2            10.8848806313       -1.8577179656      -15.9023523903  SOLV      245             0.0000000000
      1279       248  SWM4      DOH2           10.8933047296       -1.8814513058      -15.8917701636  SOLV      245             0.0000000000
      1280       248  SWM4      OM             10.8787494722       -2.0907303585      -15.8437579435  SOLV      245             0.0000000000
      1281       248  SWM4      H1             11.1238591650       -2.6059069744      -16.4494622694  SOLV      245             0.0000000000
      1282       248  SWM4      H2             10.6160105948       -2.2455473084      -15.0695733659  SOLV      245             0.0000000000
      1283       249  SWM4      OH2             9.8219405453       -2.2873379826      -13.4460923591  SOLV      246             0.0000000000
      1284       249  SWM4      DOH2            9.7708500786       -2.2813809740      -13.5039128472  SOLV      246             0.0000000000
      1285       249  SWM4      OM              9.8514710525       -2.2080115705      -13.2211460136  SOLV      246             0.0000000000
      1286       249  SWM4      H1              9.9687396102       -2.8073584395      -12.6560021631  SOLV      246             0.0000000000
      1287       249  SWM4      H2              9.8191108502       -1.3805782971      -13.1395026823  SOLV      246             0.0000000000
      1288       250  SWM4      OH2             6.2750505884       -5.0350079951      -12.9355524245  SOLV      247             0.0000000000
      1289       250  SWM4      DOH2            6.3275839524       -5.1733332367      -12.9229010116  SOLV      247             0.0000000000
      1290       250  SWM4      OM              6.2415596875       -4.8062612627      -12.8698333898  SOLV      247             0.0000000000
      1291       250  SWM4      H1              5.5889830849       -4.6827612206      -12.3685825530  SOLV      247             0.0000000000
      1292       250  SWM4      H2              6.7978408187       -4.2720497660      -13.1821231309  SOLV      247             0.0000000000
      1293       251  SWM4      OH2            14.1065605652      -12.3726280338       -2.6566524401  SOLV      248             0.0000000000
      1294       251  SWM4      DOH2           14.2043383013      -12.4000580522       -2.6679115712  SOLV      248             0.0000000000
      1295       251  SWM4      OM             14.1717730887      -12.5347982742       -2.4916864549  SOLV      248             0.0000000000
      1296       251  SWM4      H1             14.8053506838      -12.2987589435       -2.0066831362  SOLV      248             0.0000000000
      1297       251  SWM4      H2             13.7257013576      -13.2371270702       -2.5023623373  SOLV      248             0.0000000000
      1298       252  SWM4      OH2            14.8910505719      -12.7204579621      -11.5594224236  SOLV      249             0.0000000000
      1299       252  SWM4      DOH2           14.8663596201      -12.7211560645      -11.5267432333  SOLV      249             0.0000000000
      1300       252  SWM4      OM             15.0506753354      -12.5428714996      -11.5867842569  SOLV      249             0.0000000000
      1301       252  SWM4      H1             15.1108807147      -12.2489185076      -12.3628812027  SOLV      249             0.0000000000
      1302       252  SWM4      H2             15.4494498926      -12.3261977592      -10.8893623164  SOLV      249             0.0000000000
      1303       253  SWM4      OH2            12.5596605845       -0.5899779715      -12.6966724970  SOLV      250             0.0000000000
      1304       253  SWM4      DOH2           12.5731597331       -0.6795081833      -12.6793455764  SOLV      250             0.0000000000
      1305       253  SWM4      OM             12.5008420384       -0.3905408325      -12.8172164366  SOLV      250             0.0000000000
      1306       253  SWM4      H1             11.7432711782       -0.0930085425      -12.6442425713  SOLV      250             0.0000000000
      1307       253  SWM4      H2             13.0892911964       -0.1146285818      -13.3367927505  SOLV      250             0.0000000000
      1308       254  SWM4      OH2            12.0910405595      -10.9925779758      -10.7245823623  SOLV      251             0.0000000000
      1309       254  SWM4      DOH2           12.0402693577      -10.9683524535      -10.7711606905  SOLV      251             0.0000000000
      1310       254  SWM4      OM             12.2074536816      -10.9188835353      -10.5276490527  SOLV      251             0.0000000000
      1311       254  SWM4      H1             12.9033000262      -10.4882586531      -10.6784129581  SOLV      251             0.0000000000
      1312       254  SWM4      H2             11.8463403858      -11.1376081511       -9.8106243792  SOLV      251             0.0000000000
      1313       255  SWM4      OH2            12.6266805698      -10.0063080087       -1.5399224424  SOLV      252             0.0000000000
      1314       255  SWM4      DOH2           12.6405427833      -10.0296230130       -1.4769058230  SOLV      252             0.0000000000
      1315       255  SWM4      OM             12.7855396940      -10.0297976494       -1.3610993092  SOLV      252             0.0000000000
      1316       255  SWM4      H1             12.7457105410       -9.4327682107       -0.7828834423  SOLV      252             0.0000000000
      1317       255  SWM4      H2             13.2821396882      -10.6943676542       -1.4251409827  SOLV      252             0.0000000000
      1318       256  SWM4      OH2            12.9747106145      -13.9112779955       -9.7864724171  SOLV      253             0.0000000000
      1319       256  SWM4      DOH2           12.9574357450      -13.9836726996       -9.8754278825  SOLV      253             0.0000000000
      1320       256  SWM4      OM             13.0387142718      -13.6820364405       -9.7530428490  SOLV      253             0.0000000000
      1321       256  SWM4      H1             12.6280603308      -13.2942181223       -9.1420423095  SOLV      253             0.0000000000
      1322       256  SWM4      H2             13.6334003352      -13.4107086404      -10.2679218293  SOLV      253             0.0000000000
      1323       257  SWM4      OH2             9.8979705781        0.4537420256      -12.7149824413  SOLV      254             0.0000000000
      1324       257  SWM4      DOH2            9.8950432048        0.4248844167      -12.7486850213  SOLV      254             0.0000000000
      1325       257  SWM4      OM              9.8905147241        0.6806693630      -12.6361530500  SOLV      254             0.0000000000
      1326       257  SWM4      H1             10.0588406611        1.2534892660      -13.2157220215  SOLV      254             0.0000000000
      1327       257  SWM4      H2              9.7007506670        0.7603403669      -11.8299234267  SOLV      254             0.0000000000
      1328       258  SWM4      OH2             8.6324105868      -12.8483380033      -13.0992224153  SOLV      255             0.0000000000
      1329       258  SWM4      DOH2            8.6012582471      -12.8627352025      -13.1288810652  SOLV      255             0.0000000000
      1330       258  SWM4      OM              8.7978377117      -12.7205554038      -12.9806004912  SOLV      255             0.0000000000
      1331       258  SWM4      H1              8.5488902040      -11.9600285991      -12.7525838480  SOLV      255             0.0000000000
      1332       258  SWM4      H2              9.5224389508      -13.1136681234      -12.8675425128  SOLV      255             0.0000000000
      1333       259  SWM4      OH2             6.8909405876       -2.4211179795      -14.0387725200  SOLV      256             0.0000000000
      1334       259  SWM4      DOH2            6.8711533821       -2.4770460557      -14.0368061147  SOLV      256             0.0000000000
      1335       259  SWM4      OM              7.1066061404       -2.3664698177      -14.1296987977  SOLV      256             0.0000000000
      1336       259  SWM4      H1              7.4830898337       -1.7216395995      -13.7625332467  SOLV      256             0.0000000000
      1337       259  SWM4      H2              7.3502393368       -2.8541667242      -14.7583112187  SOLV      256             0.0000000000
      1338       260  SWM4      OH2             5.2068606164       -9.7568179492      -14.9228324142  SOLV      257             0.0000000000
      1339       260  SWM4      DOH2            5.2354997213       -9.7780638873      -14.9072337086  SOLV      257             0.0000000000
      1340       260  SWM4      OM              5.0156088594       -9.6124594454      -14.9415161002  SOLV      257             0.0000000000
      1341       260  SWM4      H1              5.1621217673       -8.8175091662      -14.7441325402  SOLV      257             0.0000000000
      1342       260  SWM4      H2              4.3191805836       -9.9923285883      -15.1926214272  SOLV      257             0.0000000000
      1343       261  SWM4      OH2             6.0150605734      -14.9751579864       -6.2497324355  SOLV      258             0.0000000000
      1344       261  SWM4      DOH2            6.1070607808      -14.9269843127       -6.2891418722  SOLV      258             0.0000000000
      1345       261  SWM4      OM              5.8772896522      -15.1253429102       -6.3771267864  SOLV      258             0.0000000000
      1346       261  SWM4      H1              5.7860427939      -14.9159083345       -7.1772308396  SOLV      258             0.0000000000
      1347       261  SWM4      H2              5.5724005807      -15.7666082176       -5.9433226397  SOLV      258             0.0000000000
      1348       262  SWM4      OH2             4.9453905756       -1.0344479753      -10.0891524429  SOLV      259             0.0000000000
      1349       262  SWM4      DOH2            4.9406680108       -1.0777250216      -10.1073683708  SOLV      259             0.0000000000
      1350       262  SWM4      OM              4.8866645852       -0.8330197282      -10.2063855178  SOLV      259             0.0000000000
      1351       262  SWM4      H1              4.1132506447       -0.5621797239      -10.0620116006  SOLV      259             0.0000000000
      1352       262  SWM4      H2              5.4912225545       -0.5246887909      -10.6878423448  SOLV      259             0.0000000000
      1353       263  SWM4      OH2            12.9230605174        0.0054220272      -15.7637524778  SOLV      260             0.0000000000
      1354       263  SWM4      DOH2           12.9182064554        0.0643500554      -15.6865855559  SOLV      260             0.0000000000
      1355       263  SWM4      OM             12.9472502304       -0.2329933188      -15.7453493454  SOLV      260             0.0000000000
      1356       263  SWM4      H1             12.2791602593       -0.6257161550      -15.4423818579  SOLV      260             0.0000000000
      1357       263  SWM4      H2             13.6848916344       -0.5257779659      -15.9954032810  SOLV      260             0.0000000000
      1358       264  SWM4      OH2            15.4079706643       -1.1225279743        1.5902175614  SOLV      261             0.0000000000
      1359       264  SWM4      DOH2           15.4045604543       -1.1153469276        1.5935656424  SOLV      261             0.0000000000
      1360       264  SWM4      OM             15.4849425752       -1.2689832449        1.7645500720  SOLV      261             0.0000000000
      1361       264  SWM4      H1             15.0569216816       -1.9792266691        1.8332583735  SOLV      261             0.0000000000
      1362       264  SWM4      H2             16.1342891744       -0.9798571253        2.1971179422  SOLV      261             0.0000000000
      1363       265  SWM4      OH2             4.1407105622       -4.6116679892        2.1950775532  SOLV      262             0.0000000000
      1364       265  SWM4      DOH2            4.2298867193       -4.4809249116        2.1841061866  SOLV      262             0.0000000000
      1365       265  SWM4      OM              4.0118540091       -4.7379624752        2.0362967817  SOLV      262             0.0000000000
      1366       265  SWM4      H1              4.2847610926       -5.5135986313        1.9087470235  SOLV      262             0.0000000000
      1367       265  SWM4      H2              3.3684485374       -4.3254577937        1.7073082886  SOLV      262             0.0000000000
      1368       266  SWM4      OH2             8.4820806601       -4.2680979741      -15.6724624922  SOLV      263             0.0000000000
      1369       266  SWM4      DOH2            8.4566555859       -4.2793096929      -15.7412558028  SOLV      263             0.0000000000
      1370       266  SWM4      OM              8.6292150098       -4.4553180389      -15.7051081626  SOLV      263             0.0000000000
      1371       266  SWM4      H1              8.5464903361       -5.0621369825      -15.1418220392  SOLV      263             0.0000000000
      1372       266  SWM4      H2              9.1350001356       -4.3868187746      -16.3622616065  SOLV      263             0.0000000000
      1373       267  SWM4      OH2            10.7963206058       -4.6418579471        1.6277175559  SOLV      264             0.0000000000
      1374       267  SWM4      DOH2           10.8056009228       -4.6127618705        1.7166281392  SOLV      264             0.0000000000
      1375       267  SWM4      OM             10.7600561875       -4.7793280432        1.4339327292  SOLV      264             0.0000000000
      1376       267  SWM4      H1             10.4677006468       -4.3710462801        0.7704595313  SOLV      264             0.0000000000
      1377       267  SWM4      H2             10.9481413143       -5.5828750791        1.5402190292  SOLV      264             0.0000000000
      1378       268  SWM4      OH2            13.8344205529       -3.2209279838      -15.9366623576  SOLV      265             0.0000000000
      1379       268  SWM4      DOH2           13.8502030384       -3.2195636124      -15.9772025380  SOLV      265             0.0000000000
      1380       268  SWM4      OM             13.7369847911       -3.3737735447      -15.7788330733  SOLV      265             0.0000000000
      1381       268  SWM4      H1             13.5658297975       -3.0407178186      -15.0357727294  SOLV      265             0.0000000000
      1382       268  SWM4      H2             13.6279801722       -4.1463096899      -16.0680830632  SOLV      265             0.0000000000
      1383       269  SWM4      OH2             4.9733605539       -7.4113379957        1.6150075685  SOLV      266             0.0000000000
      1384       269  SWM4      DOH2            4.8602784169       -7.3822046205        1.6763806203  SOLV      266             0.0000000000
      1385       269  SWM4      OM              5.0036932011       -7.5842929472        1.7791178112  SOLV      266             0.0000000000
      1386       269  SWM4      H1              5.3814793679       -8.2686773684        1.4940685815  SOLV      266             0.0000000000
      1387       269  SWM4      H2              4.7131226853       -7.3972076954        2.5360345905  SOLV      266             0.0000000000
      1388       270  SWM4      OH2             9.6314605928       -6.2954779959      -13.3666624565  SOLV      267             0.0000000000
      1389       270  SWM4      DOH2            9.6671574879       -6.2770631471      -13.3433540501  SOLV      267             0.0000000000
      1390       270  SWM4      OM              9.5894268348       -6.5318972320      -13.3564272628  SOLV      267             0.0000000000
      1391       270  SWM4      H1              9.1716608915       -6.7796479992      -12.6808131664  SOLV      267             0.0000000000
      1392       270  SWM4      H2              9.8863304408       -6.9639383588      -14.0026115612  SOLV      267             0.0000000000
      1393       271  SWM4      OH2             8.9203905953       -8.4027680110       -1.0107024357  SOLV      268             0.0000000000
      1394       271  SWM4      DOH2            8.9465173352       -8.3581877287       -1.0117137194  SOLV      268             0.0000000000
      1395       271  SWM4      OM              8.8641346171       -8.1984654445       -1.1241108016  SOLV      268             0.0000000000
      1396       271  SWM4      H1              8.3020022194       -7.7281062416       -0.7302308387  SOLV      268             0.0000000000
      1397       271  SWM4      H2              9.2645100203       -8.0813772323       -1.8440824524  SOLV      268             0.0000000000
      1398       272  SWM4      OH2            10.7025006236       -8.0522979487      -15.1043424412  SOLV      269             0.0000000000
      1399       272  SWM4      DOH2           10.5909683173       -8.0669200978      -15.0523488641  SOLV      269             0.0000000000
      1400       272  SWM4      OM             10.8603468952       -8.0619405521      -15.2853320048  SOLV      269             0.0000000000
      1401       272  SWM4      H1             10.5220008820       -8.2071792047      -16.0315120642  SOLV      269             0.0000000000
      1402       272  SWM4      H2             11.6525506662       -7.9444272908      -15.0595537356  SOLV      269             0.0000000000
      1403       273  SWM4      OH2            13.9402105862       -5.9312379960        2.2667775525  SOLV      270             0.0000000000
      1404       273  SWM4      DOH2           13.8719547209       -5.8685493740        2.4077670373  SOLV      270             0.0000000000
      1405       273  SWM4      OM             14.1027802634       -6.0600309108        2.3882236587  SOLV      270             0.0000000000
      1406       273  SWM4      H1             14.8933308855       -5.8473276574        2.2393783146  SOLV      270             0.0000000000
      1407       273  SWM4      H2             13.7796713506       -6.6430561323        2.8862665469  SOLV      270             0.0000000000
      1408       274  SWM4      OH2             9.2597605635      -11.0476880101        0.0716075630  SOLV      271             0.0000000000
      1409       274  SWM4      DOH2            9.2283148651      -11.0648598081        0.1993851678  SOLV      271             0.0000000000
      1410       274  SWM4      OM              9.2910055856      -11.0377811297       -0.1664917625  SOLV      271             0.0000000000
      1411       274  SWM4      H1              9.4098497999      -11.7765586582       -0.5304218341  SOLV      271             0.0000000000
      1412       274  SWM4      H2              9.2619998960      -10.2705188875       -0.4871695057  SOLV      271             0.0000000000
      1413       275  SWM4      OH2             9.6723305715      -12.6781079162       -2.4356524346  SOLV      272             0.0000000000
      1414       275  SWM4      DOH2            9.6568851083      -12.6534804907       -2.3272651559  SOLV      272             0.0000000000
      1415       275  SWM4      OM              9.6074552235      -12.6076207539       -2.6560802106  SOLV      272             0.0000000000
      1416       275  SWM4      H1             10.2080800730      -12.2264387466       -3.0877227497  SOLV      272             0.0000000000
      1417       275  SWM4      H2              8.8202921641      -12.7861284171       -2.8582407797  SOLV      272             0.0000000000
      1418       276  SWM4      OH2            11.2541706426       -7.2384879660       -2.1961324526  SOLV      273             0.0000000000
      1419       276  SWM4      DOH2           11.2127510221       -7.2082471852       -2.1760453155  SOLV      273             0.0000000000
      1420       276  SWM4      OM             11.3385365026       -7.0958485382       -2.3702072340  SOLV      273             0.0000000000
      1421       276  SWM4      H1             12.0046493873       -7.3947370203       -2.7693522517  SOLV      273             0.0000000000
      1422       276  SWM4      H2             10.9150021588       -6.3868270153       -2.4715810619  SOLV      273             0.0000000000
      1423       277  SWM4      OH2             7.7383905551       -9.8493379462        1.9831675625  SOLV      274             0.0000000000
      1424       277  SWM4      DOH2            7.7327604224       -9.8753734518        2.0992872545  SOLV      274             0.0000000000
      1425       277  SWM4      OM              7.7202997244      -10.0221430609        1.8171048766  SOLV      274             0.0000000000
      1426       277  SWM4      H1              6.9712897789      -10.3818566338        1.7729282956  SOLV      274             0.0000000000
      1427       277  SWM4      H2              8.4172928821      -10.1592976360        1.3837999578  SOLV      274             0.0000000000
      1428       278  SWM4      OH2            10.4778805514      -15.2215379937       -2.0042924476  SOLV      275             0.0000000000
      1429       278  SWM4      DOH2           10.4820298750      -15.2474798701       -1.9830353171  SOLV      275             0.0000000000
      1430       278  SWM4      OM             10.3054989341      -15.1038644116       -2.1234694387  SOLV      275             0.0000000000
      1431       278  SWM4      H1             10.3798419889      -14.2752203150       -2.1096711870  SOLV      275             0.0000000000
      1432       278  SWM4      H2              9.7355015344      -15.5941585203       -2.4799406960  SOLV      275             0.0000000000
      1433       279  SWM4      OH2            11.7419305166      -10.8999979988        1.5595475573  SOLV      276             0.0000000000
      1434       279  SWM4      DOH2           11.8450769658      -10.8155258558        1.5015084167  SOLV      276             0.0000000000
      1435       279  SWM4      OM             11.5329654011      -10.9874202867        1.6398999403  SOLV      276             0.0000000000
      1436       279  SWM4      H1             11.5064705267      -11.1193269580        2.4610388521  SOLV      276             0.0000000000
      1437       279  SWM4      H2             10.9586228936      -11.1068790599        1.0497985484  SOLV      276             0.0000000000
      1438       280  SWM4      OH2            14.4575905907      -11.7726479317        0.6348975581  SOLV      277             0.0000000000
      1439       280  SWM4      DOH2           14.4859362153      -11.7476930648        0.5707931264  SOLV      277             0.0000000000
      1440       280  SWM4      OM             14.3273859069      -11.8943466813        0.7961485016  SOLV      277             0.0000000000
      1441       280  SWM4      H1             13.5101305724      -11.7406774190        0.7672277716  SOLV      277             0.0000000000
      1442       280  SWM4      H2             14.7702612444      -12.3979384284        1.2887172483  SOLV      277             0.0000000000
      1443       281  SWM4      OH2             5.9186705770      -11.9289580331        1.6876375598  SOLV      278             0.0000000000
      1444       281  SWM4      DOH2            5.9016439126      -11.8846926612        1.6848882356  SOLV      278             0.0000000000
      1445       281  SWM4      OM              5.9392822739      -12.1635634547        1.7356068817  SOLV      278             0.0000000000
      1446       281  SWM4      H1              6.1304106422      -12.6353490652        1.0773879664  SOLV      278             0.0000000000
      1447       281  SWM4      H2              5.8074202098      -12.3663582170        2.5317554906  SOLV      278             0.0000000000
      1448       282  SWM4      OH2            11.0534406298      -14.2449579749        2.7206175704  SOLV      279             0.0000000000
      1449       282  SWM4      DOH2           11.1026424556      -14.3071996094        2.7652924853  SOLV      279             0.0000000000
      1450       282  SWM4      OM             10.9034944450      -14.1898359707        2.5410530140  SOLV      279             0.0000000000
      1451       282  SWM4      H1             10.9216603218      -14.7205784223        1.9004687809  SOLV      279             0.0000000000
      1452       282  SWM4      H2             10.4541810606      -13.5005986407        2.6653262194  SOLV      279             0.0000000000
      1453       283  SWM4      OH2            10.5996706414        2.6380720166      -14.1029823899  SOLV      280             0.0000000000
      1454       283  SWM4      DOH2           10.5707686721        2.6034523865      -14.1122045936  SOLV      280             0.0000000000
      1455       283  SWM4      OM             10.7368810073        2.8089663015      -14.2016441161  SOLV      280             0.0000000000
      1456       283  SWM4      H1             11.5327404997        2.7959422974      -13.9591428234  SOLV      280             0.0000000000
      1457       283  SWM4      H2             10.3355504207        3.3133720053      -14.7278325871  SOLV      280             0.0000000000
      1458       284  SWM4      OH2             4.1681605682       -2.7255479555      -14.6201723992  SOLV      281             0.0000000000
      1459       284  SWM4      DOH2            4.1104886500       -2.6635137486      -14.5432198694  SOLV      281             0.0000000000
      1460       284  SWM4      OM              4.3571198004       -2.8502892968      -14.7007933484  SOLV      281             0.0000000000
      1461       284  SWM4      H1              5.0820796430       -2.6466554199      -14.3467808436  SOLV      281             0.0000000000
      1462       284  SWM4      H2              4.1754697601       -3.4125887072      -15.2866129571  SOLV      281             0.0000000000
      1463       285  SWM4      OH2             2.8172205761        2.6673020398       -9.5427824504  SOLV      282             0.0000000000
      1464       285  SWM4      DOH2            2.7681059312        2.7090527315       -9.5436914299  SOLV      282             0.0000000000
      1465       285  SWM4      OM              2.7571574077        2.4348068320       -9.5325801469  SOLV      282             0.0000000000
      1466       285  SWM4      H1              2.1699320627        2.2054730551      -10.0756616298  SOLV      282             0.0000000000
      1467       285  SWM4      H2              3.1716796130        1.9956343398       -8.9601635252  SOLV      282             0.0000000000
      1468       286  SWM4      OH2             3.6871405981        0.7480020264       -7.7381624054  SOLV      283             0.0000000000
      1469       286  SWM4      DOH2            3.8041038347        0.7320144464       -7.7581540485  SOLV      283             0.0000000000
      1470       286  SWM4      OM              3.6641515752        0.6383137516       -7.5255462537  SOLV      283             0.0000000000
      1471       286  SWM4      H1              3.3528202137       -0.1322674317       -7.5661416706  SOLV      283             0.0000000000
      1472       286  SWM4      H2              3.9093813546        1.0935016992       -6.8736024538  SOLV      283             0.0000000000
      1473       287  SWM4      OH2             3.7670905950       -6.1764579599       -5.2866724527  SOLV      284             0.0000000000
      1474       287  SWM4      DOH2            3.7499590049       -6.1447195739       -5.3077230185  SOLV      284             0.0000000000
      1475       287  SWM4      OM              3.9790949319       -6.2187385652       -5.3917066235  SOLV      284             0.0000000000
      1476       287  SWM4      H1              3.9513801358       -6.2582880872       -6.2223794837  SOLV      284             0.0000000000
      1477       287  SWM4      H2              4.6163775339       -6.3007566043       -4.8630347000  SOLV      284             0.0000000000
      1478       288  SWM4      OH2             3.3645705938      -10.9059579770        0.8542075600  SOLV      285             0.0000000000
      1479       288  SWM4      DOH2            3.3324319461      -10.8486891930        0.8202509557  SOLV      285             0.0000000000
      1480       288  SWM4      OM              3.4609614880      -11.0848586962        0.9825391576  SOLV      285             0.0000000000
      1481       288  SWM4      H1              4.2840585035      -11.0281270246        1.0905158675  SOLV      285             0.0000000000
      1482       288  SWM4      H2              2.9150189327      -11.6559878386        1.2435570203  SOLV      285             0.0000000000
      1483       289  SWM4      OH2             4.5858205767      -12.5937979810       -6.2545024422  SOLV      286             0.0000000000
      1484       289  SWM4      DOH2            4.5157569604      -12.5913046678       -6.2783897421  SOLV      286             0.0000000000
      1485       289  SWM4      OM              4.7727743112      -12.6092287589       -6.1042497018  SOLV      286             0.0000000000
      1486       289  SWM4      H1              5.0309785789      -13.3855480324       -5.9525323508  SOLV      286             0.0000000000
      1487       289  SWM4      H2              5.0521198542      -11.8772778514       -5.8239437066  SOLV      286             0.0000000000
      1488       290  SWM4      OH2             2.8898506040       -9.5944979804       -5.1854824235  SOLV      287             0.0000000000
      1489       290  SWM4      DOH2            2.9231028170       -9.7014311469       -5.2226527805  SOLV      287             0.0000000000
      1490       290  SWM4      OM              3.0650322107       -9.4674520632       -5.2900597555  SOLV      287             0.0000000000
      1491       290  SWM4      H1              3.3818298670       -9.8154477109       -5.9762824783  SOLV      287             0.0000000000
      1492       290  SWM4      H2              3.2519406075       -8.7541563506       -4.9045318076  SOLV      287             0.0000000000
      1493       291  SWM4      OH2             3.2035005939      -13.3365879542      -11.1312424646  SOLV      288             0.0000000000
      1494       291  SWM4      DOH2            3.2019632213      -13.3042119862      -11.1153158864  SOLV      288             0.0000000000
      1495       291  SWM4      OM              3.1068565456      -13.1944965614      -11.2992770063  SOLV      288             0.0000000000
      1496       291  SWM4      H1              2.2783428740      -13.1279270350      -11.2606926835  SOLV      288             0.0000000000
      1497       291  SWM4      H2              3.6574890715      -12.8525096629      -11.8210125456  SOLV      288             0.0000000000
      1498       292  SWM4      OH2             8.3132606117       -0.4491579729       -2.3840124428  SOLV      289             0.0000000000
      1499       292  SWM4      DOH2            8.3009813788       -0.4649263388       -2.3624921010  SOLV      289             0.0000000000
      1500       292  SWM4      OM              8.4115903884       -0.2655267615       -2.5039144749  SOLV      289             0.0000000000
      1501       292  SWM4      H1              7.8883698538        0.3606929051       -2.6665527344  SOLV      289             0.0000000000
      1502       292  SWM4      H2              9.2175407332       -0.3637473776       -2.6860333832  SOLV      289             0.0000000000
      1503       293  SWM4      OH2            12.6244005835        0.9498420264        0.5753575614  SOLV      290             0.0000000000
      1504       293  SWM4      DOH2           12.6067543294        0.8489748619        0.5838654042  SOLV      290             0.0000000000
      1505       293  SWM4      OM             12.8359157787        0.9450160383        0.6893914049  SOLV      290             0.0000000000
      1506       293  SWM4      H1             12.8091504316        0.6164539797        1.4533852762  SOLV      290             0.0000000000
      1507       293  SWM4      H2             13.4708494049        1.2597023819        0.2532781462  SOLV      290             0.0000000000
      1508       294  SWM4      OH2            14.9694405149        2.2357320157       -0.1805024381  SOLV      291             0.0000000000
      1509       294  SWM4      DOH2           14.9046270463        2.2454958970       -0.1195070778  SOLV      291             0.0000000000
      1510       294  SWM4      OM             15.1743037818        2.1882026084       -0.0641505483  SOLV      291             0.0000000000
      1511       294  SWM4      H1             15.6463315199        1.6029612638       -0.4205812860  SOLV      291             0.0000000000
      1512       294  SWM4      H2             15.2913196215        2.6367822571        0.6268274538  SOLV      291             0.0000000000
      1513       295  SWM4      OH2             5.7149306243        2.8072320064       -2.3364824368  SOLV      292             0.0000000000
      1514       295  SWM4      DOH2            5.7155153636        2.8117477038       -2.2370619608  SOLV      292             0.0000000000
      1515       295  SWM4      OM              5.4921818477        2.8461161062       -2.2550162611  SOLV      292             0.0000000000
      1516       295  SWM4      H1              4.9945705224        3.2473323130       -2.7877115294  SOLV      292             0.0000000000
      1517       295  SWM4      H2              5.3493305727        2.5567020785       -1.4880838233  SOLV      292             0.0000000000
      1518       296  SWM4      OH2             8.1821905704        2.4076220171       -3.3067624306  SOLV      293             0.0000000000
      1519       296  SWM4      DOH2            8.2386489968        2.2747425138       -3.2229271968  SOLV      293             0.0000000000
      1520       296  SWM4      OM              7.9935101535        2.5345016664       -3.3846528639  SOLV      293             0.0000000000
      1521       296  SWM4      H1              7.3174146477        2.4794714044       -2.9027522605  SOLV      293             0.0000000000
      1522       296  SWM4      H2              8.1270909383        2.9543501937       -4.0905128877  SOLV      293             0.0000000000
      1523       297  SWM4      OH2            12.8927506449        2.2955120184       -4.1311624607  SOLV      294             0.0000000000
      1524       297  SWM4      DOH2           12.9270761049        2.3679365508       -4.1604360852  SOLV      294             0.0000000000
      1525       297  SWM4      OM             12.8324883241        2.5277224049       -4.1165849715  SOLV      294             0.0000000000
      1526       297  SWM4      H1             12.4361509363        2.8244813547       -4.7853211215  SOLV      294             0.0000000000
      1527       297  SWM4      H2             13.0555503533        2.8986514964       -3.4059334031  SOLV      294             0.0000000000
      1528       298  SWM4      OH2            15.2203805727        1.1734720206       -3.1861324250  SOLV      295             0.0000000000
      1529       298  SWM4      DOH2           15.2211152774        1.2829214129       -3.1300276817  SOLV      295             0.0000000000
      1530       298  SWM4      OM             15.1227936349        1.3823271669       -3.2541177237  SOLV      295             0.0000000000
      1531       298  SWM4      H1             14.3157524127        1.3384927676       -3.4519226573  SOLV      295             0.0000000000
      1532       298  SWM4      H2             15.6492394159        2.0266904761       -3.2517936549  SOLV      295             0.0000000000
      1533       299  SWM4      OH2             5.1297405962        1.4304820308       -5.4263024213  SOLV      296             0.0000000000
      1534       299  SWM4      DOH2            5.0221004444        1.5357413583       -5.6324866516  SOLV      296             0.0000000000
      1535       299  SWM4      OM              5.2910391392        1.2778797509       -5.3343188006  SOLV      296             0.0000000000
      1536       299  SWM4      H1              5.1113381873        1.0049918629       -4.5690693988  SOLV      296             0.0000000000
      1537       299  SWM4      H2              5.9345278832        1.1119840869       -5.8350831068  SOLV      296             0.0000000000
      1538       300  SWM4      OH2             7.2710505865        0.1403520276       -6.7713124347  SOLV      297             0.0000000000
      1539       300  SWM4      DOH2            7.2276964469        0.1798428980       -6.8776933885  SOLV      297             0.0000000000
      1540       300  SWM4      OM              7.3952025855       -0.0188600863       -6.6409151127  SOLV      297             0.0000000000
      1541       300  SWM4      H1              7.0521213613       -0.7759087422       -6.6017144222  SOLV      297             0.0000000000
      1542       300  SWM4      H2              8.0952691339        0.2803913144       -6.3051730332  SOLV      297             0.0000000000
      1543       301  SWM4      OH2             9.8083006412        0.6102820310       -5.9225123925  SOLV      298             0.0000000000
      1544       301  SWM4      DOH2            9.8726587168        0.5998302734       -5.8392319825  SOLV      298             0.0000000000
      1545       301  SWM4      OM              9.8651339075        0.4210979391       -5.7856000456  SOLV      298             0.0000000000
      1546       301  SWM4      H1             10.0208703714       -0.2778153144       -6.2094220554  SOLV      298             0.0000000000
      1547       301  SWM4      H2              9.8728102474        0.5760512555       -4.9681143934  SOLV      298             0.0000000000
      1548       302  SWM4      OH2             5.6434206026      -15.0916280428       -8.9561924952  SOLV      299             0.0000000000
      1549       302  SWM4      DOH2            5.6774431246      -15.0410439193       -8.9690625366  SOLV      299             0.0000000000
      1550       302  SWM4      OM              5.5928274179      -15.3031616180       -9.0584639154  SOLV      299             0.0000000000
      1551       302  SWM4      H1              4.8664016912      -15.3261379941       -9.4636015119  SOLV      299             0.0000000000
      1552       302  SWM4      H2              6.1737804391      -15.8884184750       -8.9473925013  SOLV      299             0.0000000000
      1553       303  SWM4      OH2             4.4797606088      -15.2938179896      -13.1525824931  SOLV      300             0.0000000000
      1554       303  SWM4      DOH2            4.5017350245      -15.3345854181      -13.1676646101  SOLV      300             0.0000000000
      1555       303  SWM4      OM              4.4398267200      -15.0580455595      -13.1767143174  SOLV      300             0.0000000000
      1556       303  SWM4      H1              4.9188304559      -14.6827684974      -13.7442325113  SOLV      300             0.0000000000
      1557       303  SWM4      H2              3.8460016490      -14.7554077279      -12.6785827267  SOLV      300             0.0000000000
      1558       304  SWM4      OH2            10.2226805803      -15.1649179667       -9.1428823531  SOLV      301             0.0000000000
      1559       304  SWM4      DOH2           10.1892104381      -15.2148125524       -9.1643217801  SOLV      301             0.0000000000
      1560       304  SWM4      OM             10.3741435085      -15.1293896300       -8.9596821506  SOLV      301             0.0000000000
      1561       304  SWM4      H1             11.0970205513      -14.7764881056       -9.1724527486  SOLV      301             0.0000000000
      1562       304  SWM4      H2             10.0867608498      -15.3801381628       -8.2201640655  SOLV      301             0.0000000000
      1563       305  SWM4      OH2            15.7795205862      -15.1349379246       -7.4937124343  SOLV      302             0.0000000000
      1564       305  SWM4      DOH2           15.7804769538      -15.1155933303       -7.5461991815  SOLV      302             0.0000000000
      1565       305  SWM4      OM             15.7387189738      -15.3016043744       -7.6620075738  SOLV      302             0.0000000000
      1566       305  SWM4      H1             15.8556804662      -15.0397778439       -8.4431128193  SOLV      302             0.0000000000
      1567       305  SWM4      H2             15.5044401027      -16.0426480306       -7.3648029815  SOLV      302             0.0000000000
      1568       306  SWM4      OH2             4.3807105691        0.6544020251      -12.2550723857  SOLV      303             0.0000000000
      1569       306  SWM4      DOH2            4.4261996425        0.6596373093      -12.2770126704  SOLV      303             0.0000000000
      1570       306  SWM4      OM              4.2409679248        0.8338051333      -12.3328683147  SOLV      303             0.0000000000
      1571       306  SWM4      H1              3.6957003573        0.6162894330      -12.9225624978  SOLV      303             0.0000000000
      1572       306  SWM4      H2              4.3844300327        1.5671621179      -11.9668619933  SOLV      303             0.0000000000
      1573       307  SWM4      OH2             6.3406705788      -13.3776680032      -14.7101724440  SOLV      304             0.0000000000
      1574       307  SWM4      DOH2            6.3662766199      -13.3924459300      -14.7708709037  SOLV      304             0.0000000000
      1575       307  SWM4      OM              6.5693688469      -13.4461398399      -14.6823445460  SOLV      304             0.0000000000
      1576       307  SWM4      H1              6.8320108456      -14.0074281390      -15.2376218593  SOLV      304             0.0000000000
      1577       307  SWM4      H2              6.9643004460      -13.0817281955      -14.0470542411  SOLV      304             0.0000000000
      1578       308  SWM4      OH2            11.3666805642      -13.0845179513      -12.2531224556  SOLV      305             0.0000000000
      1579       308  SWM4      DOH2           11.3708306874      -13.1290485355      -12.3150240856  SOLV      305             0.0000000000
      1580       308  SWM4      OM             11.3922688676      -13.0461428192      -12.0172447581  SOLV      305             0.0000000000
      1581       308  SWM4      H1             11.5448102119      -13.7311982494      -11.5702630542  SOLV      305             0.0000000000
      1582       308  SWM4      H2             11.3133006848      -12.2507482365      -11.7860136415  SOLV      305             0.0000000000
      1583       309  SWM4      OH2            13.2450605246        1.8638920254      -13.8574523769  SOLV      306             0.0000000000
      1584       309  SWM4      DOH2           13.2474685535        1.8595546546      -13.7841501044  SOLV      306             0.0000000000
      1585       309  SWM4      OM             13.3720871348        1.8490296365      -14.0609447549  SOLV      306             0.0000000000
      1586       309  SWM4      H1             14.1110800163        2.2306323813      -14.0356312279  SOLV      306             0.0000000000
      1587       309  SWM4      H2             12.9983413262        1.4246922158      -14.6713718359  SOLV      306             0.0000000000
      1588       310  SWM4      OH2             5.6012206076      -14.5774379306        0.5614275602  SOLV      307             0.0000000000
      1589       310  SWM4      DOH2            5.5323506988      -14.5824197384        0.6097952844  SOLV      307             0.0000000000
      1590       310  SWM4      OM              5.7133507083      -14.7285501130        0.7109523111  SOLV      307             0.0000000000
      1591       310  SWM4      H1              5.2350409869      -15.3431769114        1.0038969196  SOLV      307             0.0000000000
      1592       310  SWM4      H2              6.5140688820      -14.5484164934        0.8479371495  SOLV      307             0.0000000000
      1593       311  SWM4      OH2             7.5743006149      -15.2269979782        2.0971375630  SOLV      308             0.0000000000
      1594       311  SWM4      DOH2            7.5477151784      -15.2313479527        2.1492634608  SOLV      308             0.0000000000
      1595       311  SWM4      OM              7.6792521361      -15.4354729119        2.1544877245  SOLV      308             0.0000000000
      1596       311  SWM4      H1              8.4726616781      -15.5009788631        1.9124776822  SOLV      308             0.0000000000
      1597       311  SWM4      H2              7.1876114143      -15.9693972845        2.5613972795  SOLV      308             0.0000000000
      1598       312  SWM4      OH2            -4.1343194455       12.9206020199       -8.9974424741  SOLV      309             0.0000000000
      1599       312  SWM4      DOH2           -4.1934810501       12.9187686183       -8.9857272736  SOLV      309             0.0000000000
      1600       312  SWM4      OM             -4.2469531861       13.0577124872       -9.1595535201  SOLV      309             0.0000000000
      1601       312  SWM4      H1             -4.0452091460       13.8644229412       -9.1297321205  SOLV      309             0.0000000000
      1602       312  SWM4      H2             -4.7725585537       12.6452426482       -9.6555005727  SOLV      309             0.0000000000
      1603       313  SWM4      OH2           -12.8326894578       11.7898820507       -3.9856324493  SOLV      310             0.0000000000
      1604       313  SWM4      DOH2          -12.8772744056       11.7954686410       -3.9815603846  SOLV      310             0.0000000000
      1605       313  SWM4      OM            -12.6800895029       11.7895109023       -3.7999476381  SOLV      310             0.0000000000
      1606       313  SWM4      H1            -12.7914805580       11.1642122947       -3.2623921490  SOLV      310             0.0000000000
      1607       313  SWM4      H2            -12.1299194647       12.4137427000       -3.8035928219  SOLV      310             0.0000000000
      1608       314  SWM4      OH2            -1.4951694201       15.1147120249       -7.2771124258  SOLV      311             0.0000000000
      1609       314  SWM4      DOH2           -1.4609491230       15.1340275167       -7.3347395211  SOLV      311             0.0000000000
      1610       314  SWM4      OM             -1.5882426927       15.1147777562       -7.0555204151  SOLV      311             0.0000000000
      1611       314  SWM4      H1             -1.9359001945       14.3943119724       -6.8265531123  SOLV      311             0.0000000000
      1612       314  SWM4      H2             -1.5081995040       15.8354326206       -6.6473431897  SOLV      311             0.0000000000
      1613       315  SWM4      OH2           -15.2993294092        9.9000320060      -10.0578424154  SOLV      312             0.0000000000
      1614       315  SWM4      DOH2          -15.2894630259        9.8770514184      -10.0707488823  SOLV      312             0.0000000000
      1615       315  SWM4      OM            -15.5061935029        9.9546514620      -10.1673397518  SOLV      312             0.0000000000
      1616       315  SWM4      H1            -15.7469892508       10.7459019112      -10.0761922155  SOLV      312             0.0000000000
      1617       315  SWM4      H2            -15.8602099702        9.3204523838      -10.5733332736  SOLV      312             0.0000000000
      1618       316  SWM4      OH2           -14.5887193676       12.0619920229       -7.9320424117  SOLV      313             0.0000000000
      1619       316  SWM4      DOH2          -14.6754615465       12.1295413021       -7.9535159311  SOLV      313             0.0000000000
      1620       316  SWM4      OM            -14.3936320850       11.9224787789       -7.9476191693  SOLV      313             0.0000000000
      1621       316  SWM4      H1            -14.3753697156       11.2921529411       -7.4047427427  SOLV      313             0.0000000000
      1622       316  SWM4      H2            -13.8509592678       12.1516620411       -8.5352835051  SOLV      313             0.0000000000
      1623       317  SWM4      OH2             1.8512305882        6.2093419936       -4.3119024610  SOLV      314             0.0000000000
      1624       317  SWM4      DOH2            1.7281430579        6.1397063080       -4.3149462423  SOLV      314             0.0000000000
      1625       317  SWM4      OM              1.9486039875        6.4290622916       -4.3092318618  SOLV      314             0.0000000000
      1626       317  SWM4      H1              1.9004488921        6.8194613283       -3.5759916775  SOLV      314             0.0000000000
      1627       317  SWM4      H2              2.2767396297        6.6704320646       -5.0347933907  SOLV      314             0.0000000000
      1628       318  SWM4      OH2            -3.6710494215        9.0020520006       -4.8450424148  SOLV      315             0.0000000000
      1629       318  SWM4      DOH2           -3.7807886130        9.0633710041       -4.6639906314  SOLV      315             0.0000000000
      1630       318  SWM4      OM             -3.6635646501        8.8504070674       -5.0313579219  SOLV      315             0.0000000000
      1631       318  SWM4      H1             -3.5284586408        8.0557538777       -4.8248797790  SOLV      315             0.0000000000
      1632       318  SWM4      H2             -3.7771495956        9.2090343847       -5.7735500763  SOLV      315             0.0000000000
      1633       319  SWM4      OH2           -10.5162193633        7.1036920078       -7.5725624269  SOLV      316             0.0000000000
      1634       319  SWM4      DOH2          -10.5188937735        7.0935268188       -7.4671188766  SOLV      316             0.0000000000
      1635       319  SWM4      OM            -10.6012346369        7.1667271770       -7.7883509715  SOLV      316             0.0000000000
      1636       319  SWM4      H1            -10.4731096520        7.9635411019       -7.9909320702  SOLV      316             0.0000000000
      1637       319  SWM4      H2            -10.9738098661        6.5511625573       -8.2062418730  SOLV      316             0.0000000000
      1638       320  SWM4      OH2            -2.7939494079        7.2342520081       -9.1717324229  SOLV      317             0.0000000000
      1639       320  SWM4      DOH2           -2.8540887860        7.3170090150       -9.2324595985  SOLV      317             0.0000000000
      1640       320  SWM4      OM             -2.5567592831        7.2730639755       -9.1713429342  SOLV      317             0.0000000000
      1641       320  SWM4      H1             -2.1475214840        6.9055718234       -8.5469746515  SOLV      317             0.0000000000
      1642       320  SWM4      H2             -2.2840123410        7.7521505406       -9.7945914062  SOLV      317             0.0000000000
      1643       321  SWM4      OH2           -13.8960693759        9.5002719603       -6.8104224206  SOLV      318             0.0000000000
      1644       321  SWM4      DOH2          -13.9261922857        9.5448742888       -6.8359553521  SOLV      318             0.0000000000
      1645       321  SWM4      OM            -13.7570852980        9.3312714929       -6.9098601631  SOLV      318             0.0000000000
      1646       321  SWM4      H1            -13.2424102764        8.9504427177       -6.3784126842  SOLV      318             0.0000000000
      1647       321  SWM4      H2            -13.8721390326        9.2261727257       -7.7272206615  SOLV      318             0.0000000000
      1648       322  SWM4      OH2            -8.7396194221       11.0504019867       -7.5952724537  SOLV      319             0.0000000000
      1649       322  SWM4      DOH2           -8.7213472302       11.0772646386       -7.5454899832  SOLV      319             0.0000000000
      1650       322  SWM4      OM             -8.7334702582       10.8111171458       -7.5735796260  SOLV      319             0.0000000000
      1651       322  SWM4      H1             -8.1235214654       10.5239432451       -7.0858740364  SOLV      319             0.0000000000
      1652       322  SWM4      H2             -9.3257386157       10.4102725562       -7.9989119014  SOLV      319             0.0000000000
      1653       323  SWM4      OH2             2.2426905984        7.6872619954       -2.0759224280  SOLV      320             0.0000000000
      1654       323  SWM4      DOH2            2.2978824594        7.6296996582       -2.0376114515  SOLV      320             0.0000000000
      1655       323  SWM4      OM              2.1046331907        7.7817904241       -1.9033819268  SOLV      320             0.0000000000
      1656       323  SWM4      H1              1.5541514510        8.3453334614       -2.1712634704  SOLV      320             0.0000000000
      1657       323  SWM4      H2              2.2581493971        7.4900510210       -1.1393836825  SOLV      320             0.0000000000
      1658       324  SWM4      OH2           -11.7060294045        6.0215320239       -3.4984824596  SOLV      321             0.0000000000
      1659       324  SWM4      DOH2          -11.6403247921        5.9406690088       -3.5408721084  SOLV      321             0.0000000000
      1660       324  SWM4      OM            -11.8879147688        6.1767254277       -3.5229448034  SOLV      321             0.0000000000
      1661       324  SWM4      H1            -11.9248577255        6.5515885871       -4.2648820772  SOLV      321             0.0000000000
      1662       324  SWM4      H2            -12.3739375667        6.2480819118       -2.8513432049  SOLV      321             0.0000000000
      1663       325  SWM4      OH2            -9.1368894335       13.6971020171       -3.2111124245  SOLV      322             0.0000000000
      1664       325  SWM4      DOH2           -9.1411278311       13.6664772587       -3.1798946209  SOLV      322             0.0000000000
      1665       325  SWM4      OM             -9.1422507503       13.9334152472       -3.2546211420  SOLV      322             0.0000000000
      1666       325  SWM4      H1             -9.8769782218       14.2952506002       -3.1075925941  SOLV      322             0.0000000000
      1667       325  SWM4      H2             -8.4229387232       14.2510603342       -3.5267518991  SOLV      322             0.0000000000
      1668       326  SWM4      OH2            -1.0301094221        6.5251820383       -7.1911424603  SOLV      323             0.0000000000
      1669       326  SWM4      DOH2           -1.0559053836        6.5049356645       -7.2069767187  SOLV      323             0.0000000000
      1670       326  SWM4      OM             -0.9397477174        6.4650421415       -6.9767044240  SOLV      323             0.0000000000
      1671       326  SWM4      H1             -1.2453079387        5.7595226388       -6.6585424328  SOLV      323             0.0000000000
      1672       326  SWM4      H2             -0.3743699113        6.9976411221       -6.6782915952  SOLV      323             0.0000000000
      1673       327  SWM4      OH2           -12.1122993311        7.9137120113       -5.5462624444  SOLV      324             0.0000000000
      1674       327  SWM4      DOH2          -12.1672240769        7.8888035619       -5.5442993806  SOLV      324             0.0000000000
      1675       327  SWM4      OM            -11.8814014195        7.9465836482       -5.6043243360  SOLV      324             0.0000000000
      1676       327  SWM4      H1            -11.4986692125        8.5464721848       -5.1730232438  SOLV      324             0.0000000000
      1677       327  SWM4      H2            -11.6002303534        7.4412109018       -6.2025712638  SOLV      324             0.0000000000
      1678       328  SWM4      OH2           -14.6083693499       15.3321920473      -11.6420324478  SOLV      325             0.0000000000
      1679       328  SWM4      DOH2          -14.6404259294       15.3535773996      -11.7080906009  SOLV      325             0.0000000000
      1680       328  SWM4      OM            -14.6547952092       15.5510457026      -11.7298583319  SOLV      325             0.0000000000
      1681       328  SWM4      H1            -14.8802789425       15.5612920201      -12.5307412014  SOLV      325             0.0000000000
      1682       328  SWM4      H2            -14.5628001176       16.1700737250      -11.1815026947  SOLV      325             0.0000000000
      1683       329  SWM4      OH2            -0.6826994114        5.2403120686       -3.5117924403  SOLV      326             0.0000000000
      1684       329  SWM4      DOH2           -0.7594402203        5.2809818012       -3.5069124020  SOLV      326             0.0000000000
      1685       329  SWM4      OM             -0.6935052087        5.4506806216       -3.6275246294  SOLV      326             0.0000000000
      1686       329  SWM4      H1             -1.4187806951        5.8510239874       -3.5496629282  SOLV      326             0.0000000000
      1687       329  SWM4      H2              0.0006999469        5.6552121345       -4.0381518988  SOLV      326             0.0000000000
      1688       330  SWM4      OH2            -7.6795594348        3.3270420338       -6.0459924628  SOLV      327             0.0000000000
      1689       330  SWM4      DOH2           -7.6030481612        3.3297734602       -6.0481045826  SOLV      327             0.0000000000
      1690       330  SWM4      OM             -7.8790474106        3.2007349437       -6.0010844603  SOLV      327             0.0000000000
      1691       330  SWM4      H1             -7.7971387015        2.3786440474       -6.1001617124  SOLV      327             0.0000000000
      1692       330  SWM4      H2             -8.5345488653        3.6596523851       -5.7728820987  SOLV      327             0.0000000000
      1693       331  SWM4      OH2             0.1143905888       15.2026519923       -1.3180124431  SOLV      328             0.0000000000
      1694       331  SWM4      DOH2            0.1252157066       15.2221200859       -1.1956552517  SOLV      328             0.0000000000
      1695       331  SWM4      OM              0.1773426836       15.2602567588       -1.5426998046  SOLV      328             0.0000000000
      1696       331  SWM4      H1              0.2540213616       14.6109016790       -2.0573116247  SOLV      328             0.0000000000
      1697       331  SWM4      H2              0.2816708224       16.0752430927       -1.6741332736  SOLV      328             0.0000000000
      1698       332  SWM4      OH2            -5.3591494017       10.6220320139      -14.5069124637  SOLV      329             0.0000000000
      1699       332  SWM4      DOH2           -5.3919546999       10.5784539451      -14.5553286934  SOLV      329             0.0000000000
      1700       332  SWM4      OM             -5.1533629244       10.4978681329      -14.5078702481  SOLV      329             0.0000000000
      1701       332  SWM4      H1             -4.6581594163       10.6447210411      -13.8555128279  SOLV      329             0.0000000000
      1702       332  SWM4      H2             -5.0568599092        9.9940011244      -15.1629817851  SOLV      329             0.0000000000
      1703       333  SWM4      OH2             1.9563205919       11.5424519540       -3.2519724538  SOLV      330             0.0000000000
      1704       333  SWM4      DOH2            1.9054571879       11.4378264249       -3.2330433598  SOLV      330             0.0000000000
      1705       333  SWM4      OM              1.9178497735       11.7280067692       -3.3998073417  SOLV      330             0.0000000000
      1706       333  SWM4      H1              1.3037311589       12.2370111747       -3.1628816995  SOLV      330             0.0000000000
      1707       333  SWM4      H2              2.4213503061       11.7525418860       -4.0618146240  SOLV      330             0.0000000000
      1708       334  SWM4      OH2            -2.0072994052       12.3739320152      -10.5938224401  SOLV      331             0.0000000000
      1709       334  SWM4      DOH2           -2.0066435924       12.4411604405      -10.6143881272  SOLV      331             0.0000000000
      1710       334  SWM4      OM             -2.0656915626       12.2743773017      -10.3830028646  SOLV      331             0.0000000000
      1711       334  SWM4      H1             -2.7391990472       12.6023015455      -10.0207632481  SOLV      331             0.0000000000
      1712       334  SWM4      H2             -1.5600794737       11.6602023674      -10.1390709424  SOLV      331             0.0000000000
      1713       335  SWM4      OH2            -2.1099494149       10.5481920220       -1.5261224358  SOLV      332             0.0000000000
      1714       335  SWM4      DOH2           -2.0855876944       10.4391439895       -1.4116030930  SOLV      332             0.0000000000
      1715       335  SWM4      OM             -2.2168796518       10.7620597662       -1.5504574538  SOLV      332             0.0000000000
      1716       335  SWM4      H1             -2.0300408562       11.3116307335       -0.9542752529  SOLV      332             0.0000000000
      1717       335  SWM4      H2             -2.7111795679       10.8274307618       -2.2166114300  SOLV      332             0.0000000000
      1718       336  SWM4      OH2           -10.3619293629       13.0045520147       -8.7113224766  SOLV      333             0.0000000000
      1719       336  SWM4      DOH2          -10.3694443626       12.9653312344       -8.7029590698  SOLV      333             0.0000000000
      1720       336  SWM4      OM            -10.3090242750       12.7909755951       -8.8080271490  SOLV      333             0.0000000000
      1721       336  SWM4      H1            -10.6924081978       12.6338927615       -9.5296204674  SOLV      333             0.0000000000
      1722       336  SWM4      H2             -9.7735194129       12.3339530482       -8.3644930578  SOLV      333             0.0000000000
      1723       337  SWM4      OH2            -9.9953793673       11.7731119845       -5.0778224417  SOLV      334             0.0000000000
      1724       337  SWM4      DOH2           -9.9915126915       11.7054838545       -5.0451351893  SOLV      334             0.0000000000
      1725       337  SWM4      OM             -9.8140312051       11.9287761104       -5.1032624917  SOLV      334             0.0000000000
      1726       337  SWM4      H1             -9.4301286896       11.8945324642       -5.8407027557  SOLV      334             0.0000000000
      1727       337  SWM4      H2             -9.6764903109       12.4106113394       -4.4389717382  SOLV      334             0.0000000000
      1728       338  SWM4      OH2            -3.1363494049       11.5362220085      -12.9087024923  SOLV      335             0.0000000000
      1729       338  SWM4      DOH2           -3.1812848754       11.5014413300      -12.9358311762  SOLV      335             0.0000000000
      1730       338  SWM4      OM             -2.9325602033       11.6635497692      -12.9038763760  SOLV      335             0.0000000000
      1731       338  SWM4      H1             -2.5567996887       11.6862525387      -12.1618136461  SOLV      335             0.0000000000
      1732       338  SWM4      H2             -2.7223492330       12.0069628181      -13.6320629479  SOLV      335             0.0000000000
      1733       339  SWM4      OH2           -12.1953193721       12.3704920397       -1.1320624383  SOLV      336             0.0000000000
      1734       339  SWM4      DOH2          -12.0894654815       12.3369923773       -1.1528484249  SOLV      336             0.0000000000
      1735       339  SWM4      OM            -12.3636084462       12.5250320414       -1.0574844321  SOLV      336             0.0000000000
      1736       339  SWM4      H1            -12.1249986154       13.0211709542       -0.4335633691  SOLV      336             0.0000000000
      1737       339  SWM4      H2            -13.0860994006       12.4732418943       -1.4669713017  SOLV      336             0.0000000000
      1738       340  SWM4      OH2             0.5624905911        3.2862620205      -13.0957324614  SOLV      337             0.0000000000
      1739       340  SWM4      DOH2            0.6413815670        3.2024609963      -13.1002720414  SOLV      337             0.0000000000
      1740       340  SWM4      OM              0.4295579043        3.4852971134      -13.1176326105  SOLV      337             0.0000000000
      1741       340  SWM4      H1             -0.3374403609        3.4251617529      -12.8006731904  SOLV      337             0.0000000000
      1742       340  SWM4      H2              0.8143327319        4.1177213146      -13.4975621835  SOLV      337             0.0000000000
      1743       341  SWM4      OH2           -11.3716594291       12.0739819915      -11.1220424165  SOLV      338             0.0000000000
      1744       341  SWM4      DOH2          -11.4067801757       12.0733071012      -11.0753635417  SOLV      338             0.0000000000
      1745       341  SWM4      OM            -11.5698711457       12.0962962796      -11.2561314543  SOLV      338             0.0000000000
      1746       341  SWM4      H1            -11.6635292087       12.8421507289      -11.6129118747  SOLV      338             0.0000000000
      1747       341  SWM4      H2            -12.0461394270       11.4146025896      -11.2849024224  SOLV      338             0.0000000000
      1748       342  SWM4      OH2           -15.2786494980       14.4369019712       -2.3070624496  SOLV      339             0.0000000000
      1749       342  SWM4      DOH2          -15.2794811698       14.4711679294       -2.3646737071  SOLV      339             0.0000000000
      1750       342  SWM4      OM            -15.3803433552       14.2453774433       -2.4107074053  SOLV      339             0.0000000000
      1751       342  SWM4      H1            -15.7798089892       14.4088415045       -3.1220930093  SOLV      339             0.0000000000
      1752       342  SWM4      H2            -15.2732791430       13.5312212689       -1.9973329254  SOLV      339             0.0000000000
      1753       343  SWM4      OH2            -0.1785494103        9.3765020078        0.7395475589  SOLV      340             0.0000000000
      1754       343  SWM4      DOH2           -0.1899216927        9.3734375154        0.6675012200  SOLV      340             0.0000000000
      1755       343  SWM4      OM             -0.2537759769        9.2893601696        0.5285666729  SOLV      340             0.0000000000
      1756       343  SWM4      H1             -0.5858680803        9.8570610068        0.0188779252  SOLV      340             0.0000000000
      1757       343  SWM4      H2             -0.1379810048        8.4711022364        0.4316272800  SOLV      340             0.0000000000
      1758       344  SWM4      OH2           -13.0295994321       15.7604419715       -1.2637824535  SOLV      341             0.0000000000
      1759       344  SWM4      DOH2          -12.8826031446       15.7597751380       -1.2485068800  SOLV      341             0.0000000000
      1760       344  SWM4      OM            -13.1607491720       15.6094657389       -1.1304724952  SOLV      341             0.0000000000
      1761       344  SWM4      H1            -12.8134676250       15.3990023244       -0.4042025500  SOLV      341             0.0000000000
      1762       344  SWM4      H2            -13.8851283342       15.3858234913       -1.4734334884  SOLV      341             0.0000000000
      1763       345  SWM4      OH2           -10.4107994319        4.2304920139       -5.2683624652  SOLV      342             0.0000000000
      1764       345  SWM4      DOH2          -10.3193744316        4.1582959102       -5.1827731719  SOLV      342             0.0000000000
      1765       345  SWM4      OM            -10.5921299256        4.3881879458       -5.2642498780  SOLV      342             0.0000000000
      1766       345  SWM4      H1            -11.2724270735        4.1433125652       -5.6760727691  SOLV      342             0.0000000000
      1767       345  SWM4      H2            -10.4332296007        5.0865015350       -4.8406018423  SOLV      342             0.0000000000
      1768       346  SWM4      OH2            -5.7480194358        3.9525320363       -1.8936624372  SOLV      343             0.0000000000
      1769       346  SWM4      DOH2           -5.8013244548        3.9643884199       -1.8687897659  SOLV      343             0.0000000000
      1770       346  SWM4      OM             -5.8531869968        3.8307028517       -1.7151600445  SOLV      343             0.0000000000
      1771       346  SWM4      H1             -5.3277099507        3.5372411716       -1.1406016483  SOLV      343             0.0000000000
      1772       346  SWM4      H2             -6.6810568347        3.7738639421       -1.7764624009  SOLV      343             0.0000000000
      1773       347  SWM4      OH2            -2.4215294130        7.7080520109       -1.0402124386  SOLV      344             0.0000000000
      1774       347  SWM4      DOH2           -2.3797757608        7.6411393603       -1.1244678929  SOLV      344             0.0000000000
      1775       347  SWM4      OM             -2.5588699179        7.8693809607       -0.9267388894  SOLV      344             0.0000000000
      1776       347  SWM4      H1             -2.9355784464        7.5822726097       -0.2426126378  SOLV      344             0.0000000000
      1777       347  SWM4      H2             -2.5770586884        8.6203611247       -1.2845926927  SOLV      344             0.0000000000
      1778       348  SWM4      OH2            -1.6590394132       12.5690520073      -15.2789124175  SOLV      345             0.0000000000
      1779       348  SWM4      DOH2           -1.6166793771       12.5729731783      -15.3198279000  SOLV      345             0.0000000000
      1780       348  SWM4      OM             -1.4762230392       12.6051725655      -15.4306990633  SOLV      345             0.0000000000
      1781       348  SWM4      H1             -1.6169596581       12.3464422753      -16.2089115757  SOLV      345             0.0000000000
      1782       348  SWM4      H2             -0.8098290842       12.9677610770      -15.0889229479  SOLV      345             0.0000000000
      1783       349  SWM4      OH2           -10.3197894232        9.1959420277       -4.1733424402  SOLV      346             0.0000000000
      1784       349  SWM4      DOH2          -10.3512639983        9.0846833415       -4.2025750198  SOLV      346             0.0000000000
      1785       349  SWM4      OM            -10.4437998684        9.3777149660       -4.0766693933  SOLV      346             0.0000000000
      1786       349  SWM4      H1            -10.9615792127        9.1556706720       -3.4643327514  SOLV      346             0.0000000000
      1787       349  SWM4      H2            -10.2825886781       10.1224122509       -4.4110410531  SOLV      346             0.0000000000
      1788       350  SWM4      OH2           -10.3228793582        9.4169520158       -9.2613424067  SOLV      347             0.0000000000
      1789       350  SWM4      DOH2          -10.3685918173        9.3370399907       -9.1661234413  SOLV      347             0.0000000000
      1790       350  SWM4      OM            -10.4135504537        9.2698227730       -9.4283677543  SOLV      347             0.0000000000
      1791       350  SWM4      H1            -11.2155867347        9.0765627672       -9.3199622776  SOLV      347             0.0000000000
      1792       350  SWM4      H2             -9.8722197132        9.0400424882      -10.0170201888  SOLV      347             0.0000000000
      1793       351  SWM4      OH2            -4.7873294266        9.8329819974      -10.4442624361  SOLV      348             0.0000000000
      1794       351  SWM4      DOH2           -4.8034250052        9.8841042591      -10.4302913928  SOLV      348             0.0000000000
      1795       351  SWM4      OM             -4.7234062832        9.9714054532      -10.6300539646  SOLV      348             0.0000000000
      1796       351  SWM4      H1             -5.1962990601       10.6478407843      -10.7357819461  SOLV      348             0.0000000000
      1797       351  SWM4      H2             -4.0667086493        9.6929929859      -11.0585510666  SOLV      348             0.0000000000
      1798       352  SWM4      OH2            -5.6851693921       10.0086220442        1.0438075527  SOLV      349             0.0000000000
      1799       352  SWM4      DOH2           -5.7575582297        9.9574264549        1.0690363770  SOLV      349             0.0000000000
      1800       352  SWM4      OM             -5.6310765755        9.8392709633        1.2055477027  SOLV      349             0.0000000000
      1801       352  SWM4      H1             -6.2477867306        9.3037837659        1.3645897591  SOLV      349             0.0000000000
      1802       352  SWM4      H2             -4.8588293738        9.8878133851        1.5115672441  SOLV      349             0.0000000000
      1803       353  SWM4      OH2            -3.7825594135        9.2790219969       -7.6302924565  SOLV      350             0.0000000000
      1804       353  SWM4      DOH2           -3.8048757786        9.2995257861       -7.5518582967  SOLV      350             0.0000000000
      1805       353  SWM4      OM             -3.7854905429        9.2322970577       -7.8660334922  SOLV      350             0.0000000000
      1806       353  SWM4      H1             -3.9781082545        9.8847016295       -8.3452309933  SOLV      350             0.0000000000
      1807       353  SWM4      H2             -3.6013007516        8.4455445266       -8.0646612401  SOLV      350             0.0000000000
      1808       354  SWM4      OH2           -12.5697394035        9.5162919915       -2.3061424264  SOLV      351             0.0000000000
      1809       354  SWM4      DOH2          -12.5661233183        9.5018104271       -2.3049897835  SOLV      351             0.0000000000
      1810       354  SWM4      OM            -12.6782347429        9.4308415765       -2.1094379776  SOLV      351             0.0000000000
      1811       354  SWM4      H1            -12.6078008594        9.9164534469       -1.4374333642  SOLV      351             0.0000000000
      1812       354  SWM4      H2            -13.0606284538        8.6995315289       -2.2158526915  SOLV      351             0.0000000000
      1813       355  SWM4      OH2            -9.2039993884        6.8905220372      -15.5075424183  SOLV      352             0.0000000000
      1814       355  SWM4      DOH2           -9.1599580881        7.0098623733      -15.4987959395  SOLV      352             0.0000000000
      1815       355  SWM4      OM             -9.4396882317        6.8754748977      -15.4629323549  SOLV      352             0.0000000000
      1816       355  SWM4      H1             -9.6349276199        6.4455328085      -14.7778030256  SOLV      352             0.0000000000
      1817       355  SWM4      H2             -9.9221291025        7.2621518300      -16.0197936432  SOLV      352             0.0000000000
      1818       356  SWM4      OH2           -15.9616594568        6.6324720056       -8.4556724357  SOLV      353             0.0000000000
      1819       356  SWM4      DOH2          -15.9765330528        6.6953103521       -8.4985408522  SOLV      353             0.0000000000
      1820       356  SWM4      OM            -15.7400927375        6.5393655846       -8.4579329912  SOLV      353             0.0000000000
      1821       356  SWM4      H1            -15.3308893527        6.6036822921       -7.7362831353  SOLV      353             0.0000000000
      1822       356  SWM4      H2            -15.5122297285        6.2073414038       -9.1860827335  SOLV      353             0.0000000000
      1823       357  SWM4      OH2           -14.6874494588        7.3786720423      -13.0316324810  SOLV      354             0.0000000000
      1824       357  SWM4      DOH2          -14.7495571399        7.3448694172      -13.0066221285  SOLV      354             0.0000000000
      1825       357  SWM4      OM            -14.7373314801        7.6086640107      -13.0804291342  SOLV      354             0.0000000000
      1826       357  SWM4      H1            -14.2132797308        7.9696624237      -13.6165420221  SOLV      354             0.0000000000
      1827       357  SWM4      H2            -15.4048095127        7.9089618581      -12.6846213733  SOLV      354             0.0000000000
      1828       358  SWM4      OH2            -4.5186393828       10.9171520255       -2.9590524180  SOLV      355             0.0000000000
      1829       358  SWM4      DOH2           -4.4843593353       10.9780727823       -2.9294096951  SOLV      355             0.0000000000
      1830       358  SWM4      OM             -4.5425536243       10.6780276354       -2.9554034650  SOLV      355             0.0000000000
      1831       358  SWM4      H1             -4.1951589286       10.2861230566       -3.6020024268  SOLV      355             0.0000000000
      1832       358  SWM4      H2             -4.9587089547       10.3823741864       -2.2983124229  SOLV      355             0.0000000000
      1833       359  SWM4      OH2            -7.7413494457        6.8447020207       -8.1749324781  SOLV      356             0.0000000000
      1834       359  SWM4      DOH2           -7.7755554858        6.8693797941       -8.1528388625  SOLV      356             0.0000000000
      1835       359  SWM4      OM             -7.8245436961        6.8439289398       -7.9494467037  SOLV      356             0.0000000000
      1836       359  SWM4      H1             -8.6522387705        6.9013827466       -7.8863317341  SOLV      356             0.0000000000
      1837       359  SWM4      H2             -7.2360612497        6.7842524104       -7.3642126326  SOLV      356             0.0000000000
      1838       360  SWM4      OH2           -12.9130094600        8.4733320326       -9.3481724223  SOLV      357             0.0000000000
      1839       360  SWM4      DOH2          -12.8077480490        8.5178398670       -9.3401824934  SOLV      357             0.0000000000
      1840       360  SWM4      OM            -13.0345823871        8.3211069105       -9.4889317827  SOLV      357             0.0000000000
      1841       360  SWM4      H1            -13.8022088881        8.5728812575       -9.6882120641  SOLV      357             0.0000000000
      1842       360  SWM4      H2            -12.6165186216        7.6316352398       -9.6943809644  SOLV      357             0.0000000000
      1843       361  SWM4      OH2            -9.2598294034        8.4735920177      -11.6917124626  SOLV      358             0.0000000000
      1844       361  SWM4      DOH2           -9.2390827710        8.4662179044      -11.6238017207  SOLV      358             0.0000000000
      1845       361  SWM4      OM             -9.1128487599        8.6373613047      -11.7883663876  SOLV      358             0.0000000000
      1846       361  SWM4      H1             -8.3282804144        8.6025920407      -11.5134019621  SOLV      358             0.0000000000
      1847       361  SWM4      H2             -9.4747985377        9.1430219872      -12.3412434976  SOLV      358             0.0000000000
      1848       362  SWM4      OH2           -10.5858093459        9.6678119958      -14.1251023991  SOLV      359             0.0000000000
      1849       362  SWM4      DOH2          -10.6270890167        9.6002194186      -14.0730346539  SOLV      359             0.0000000000
      1850       362  SWM4      OM            -10.5261203566        9.6298346685      -14.3547992651  SOLV      359             0.0000000000
      1851       362  SWM4      H1            -11.1282998230        9.2881924871      -14.8163425516  SOLV      359             0.0000000000
      1852       362  SWM4      H2             -9.7523193164        9.8622822006      -14.5536929266  SOLV      359             0.0000000000
      1853       363  SWM4      OH2            -6.4213793995        9.6320020167       -6.2879724027  SOLV      360             0.0000000000
      1854       363  SWM4      DOH2           -6.4235740067        9.7125079565       -6.2754835189  SOLV      360             0.0000000000
      1855       363  SWM4      OM             -6.3359113640        9.4129070818       -6.2383914541  SOLV      360             0.0000000000
      1856       363  SWM4      H1             -5.8570391805        9.0856647842       -6.8350112655  SOLV      360             0.0000000000
      1857       363  SWM4      H2             -6.5690405403        9.1101947576       -5.4992129519  SOLV      360             0.0000000000
      1858       364  SWM4      OH2           -11.4194094072        5.7686120107       -9.8694924195  SOLV      361             0.0000000000
      1859       364  SWM4      DOH2          -11.4028736804        5.8689508002       -9.7658912135  SOLV      361             0.0000000000
      1860       364  SWM4      OM            -11.3241633132        5.5838606468       -9.9901605099  SOLV      361             0.0000000000
      1861       364  SWM4      H1            -11.7364601564        4.8661422372       -9.9049536094  SOLV      361             0.0000000000
      1862       364  SWM4      H2            -10.6379997652        5.7703521625      -10.4223316018  SOLV      361             0.0000000000
      1863       365  SWM4      OH2            -7.7947895918        8.0206117498       -3.8739322601  SOLV      362             0.0000000000
      1864       365  SWM4      DOH2           -7.8186272948        8.0315242082       -3.8230069818  SOLV      362             0.0000000000
      1865       365  SWM4      OM             -7.8586640649        8.1703045814       -3.6970770127  SOLV      362             0.0000000000
      1866       365  SWM4      H1             -8.6302589559        8.4745610422       -3.7636915393  SOLV      362             0.0000000000
      1867       365  SWM4      H2             -7.2707312613        8.2964623226       -3.1219434334  SOLV      362             0.0000000000
      1868       366  SWM4      OH2            -0.1006394120       13.3662021063       -3.4025324477  SOLV      363             0.0000000000
      1869       366  SWM4      DOH2           -0.0412944961       13.3649729133       -3.3681722485  SOLV      363             0.0000000000
      1870       366  SWM4      OM             -0.1392890813       13.4830897146       -3.6089521758  SOLV      363             0.0000000000
      1871       366  SWM4      H1              0.5412397646       13.8228312494       -3.9463118642  SOLV      363             0.0000000000
      1872       366  SWM4      H2             -0.9309496086       13.4794419196       -3.8651222156  SOLV      363             0.0000000000
      1873       367  SWM4      OH2            -2.6344994103        8.9146419933      -12.3292924417  SOLV      364             0.0000000000
      1874       367  SWM4      DOH2           -2.6955827120        8.8482391334      -12.2982648037  SOLV      364             0.0000000000
      1875       367  SWM4      OM             -2.4400009870        9.0486021366      -12.3739102135  SOLV      364             0.0000000000
      1876       367  SWM4      H1             -1.7426016302        8.7771425318      -12.0101729571  SOLV      364             0.0000000000
      1877       367  SWM4      H2             -2.5781396324        9.7052505594      -12.8659414353  SOLV      364             0.0000000000
      1878       368  SWM4      OH2           -12.1256994752       13.5283820240       -6.4195024407  SOLV      365             0.0000000000
      1879       368  SWM4      DOH2          -12.1767588389       13.5281064122       -6.4118732856  SOLV      365             0.0000000000
      1880       368  SWM4      OM            -11.9570177228       13.3589477136       -6.4440833008  SOLV      365             0.0000000000
      1881       368  SWM4      H1            -11.3809795772       13.5259520350       -7.0208523324  SOLV      365             0.0000000000
      1882       368  SWM4      H2            -12.0480396796       12.7047628705       -5.9379925207  SOLV      365             0.0000000000
      1883       369  SWM4      OH2           -15.1177294196       11.9890720207       -1.1046524390  SOLV      366             0.0000000000
      1884       369  SWM4      DOH2          -15.1080204694       12.0293860761       -1.1445289744  SOLV      366             0.0000000000
      1885       369  SWM4      OM            -15.1954932202       11.7776959786       -1.0207559000  SOLV      366             0.0000000000
      1886       369  SWM4      H1            -14.8948691658       11.5710311845       -0.2729041483  SOLV      366             0.0000000000
      1887       369  SWM4      H2            -15.7197181670       11.3765725070       -1.5273729595  SOLV      366             0.0000000000
      1888       370  SWM4      OH2             2.2503705912        9.1240520212      -12.6346224631  SOLV      367             0.0000000000
      1889       370  SWM4      DOH2            2.2995963567        9.1149213437      -12.5471096316  SOLV      367             0.0000000000
      1890       370  SWM4      OM              2.1572456103        9.2295471559      -12.8294664299  SOLV      367             0.0000000000
      1891       370  SWM4      H1              1.6960001986        8.7278515773      -13.3068723159  SOLV      367             0.0000000000
      1892       370  SWM4      H2              2.3507308064       10.0345700707      -12.9122910297  SOLV      367             0.0000000000
      1893       371  SWM4      OH2             2.2135706078       14.9242220661        0.2025275636  SOLV      368             0.0000000000
      1894       371  SWM4      DOH2            2.2055708691       14.9457760346        0.2452593637  SOLV      368             0.0000000000
      1895       371  SWM4      OM              2.1600747922       14.9696958964       -0.0273332752  SOLV      368             0.0000000000
      1896       371  SWM4      H1              1.3624221728       15.1626016252       -0.1648311507  SOLV      368             0.0000000000
      1897       371  SWM4      H2              2.8039094324       14.9075429109       -0.5507610089  SOLV      368             0.0000000000
      1898       372  SWM4      OH2            -2.2940694014       12.7180420344       -5.1482224312  SOLV      369             0.0000000000
      1899       372  SWM4      DOH2           -2.2519560161       12.6993583100       -5.1427294040  SOLV      369             0.0000000000
      1900       372  SWM4      OM             -2.3919496219       12.5111181607       -5.2214868153  SOLV      369             0.0000000000
      1901       372  SWM4      H1             -3.2223800604       12.4862326301       -5.1752934531  SOLV      369             0.0000000000
      1902       372  SWM4      H2             -1.8429600306       11.9410239695       -5.4783414773  SOLV      369             0.0000000000
      1903       373  SWM4      OH2           -13.9959894155       11.9086119967      -14.4281123875  SOLV      370             0.0000000000
      1904       373  SWM4      DOH2          -13.9813489319       11.8728326590      -14.4010520527  SOLV      370             0.0000000000
      1905       373  SWM4      OM            -14.0463958108       12.1019715667      -14.2945573593  SOLV      370             0.0000000000
      1906       373  SWM4      H1            -13.3799994804       12.5353312167      -14.0486318646  SOLV      370             0.0000000000
      1907       373  SWM4      H2            -14.8577291628       12.2245916939      -14.1564622067  SOLV      370             0.0000000000
      1908       374  SWM4      OH2            -8.3235294022       14.7091919952       -9.4389224256  SOLV      371             0.0000000000
      1909       374  SWM4      DOH2           -8.3510796321       14.7503312232       -9.3736836035  SOLV      371             0.0000000000
      1910       374  SWM4      OM             -8.5248737608       14.8048905004       -9.3491006680  SOLV      371             0.0000000000
      1911       374  SWM4      H1             -8.5645298269       15.6346314548       -9.3973926430  SOLV      371             0.0000000000
      1912       374  SWM4      H2             -9.0641691249       14.2503237923       -9.0425325206  SOLV      371             0.0000000000
      1913       375  SWM4      OH2            -4.2647894056       14.9576220621       -3.4232524544  SOLV      372             0.0000000000
      1914       375  SWM4      DOH2           -4.2310273218       14.9662410841       -3.4920861638  SOLV      372             0.0000000000
      1915       375  SWM4      OM             -4.2330560597       14.7593459225       -3.2911718112  SOLV      372             0.0000000000
      1916       375  SWM4      H1             -4.6906601880       14.7297921391       -2.5968526754  SOLV      372             0.0000000000
      1917       375  SWM4      H2             -3.6842101685       14.2188021945       -3.6057235273  SOLV      372             0.0000000000
      1918       376  SWM4      OH2            -2.0618994033       15.8866720317      -14.3493523795  SOLV      373             0.0000000000
      1919       376  SWM4      DOH2           -2.0028257725       15.8948017173      -14.3676586169  SOLV      373             0.0000000000
      1920       376  SWM4      OM             -2.1840112361       15.7895433361      -14.1665400702  SOLV      373             0.0000000000
      1921       376  SWM4      H1             -1.7085893375       15.5066539549      -13.5450040328  SOLV      373             0.0000000000
      1922       376  SWM4      H2             -3.0105504689       15.7931517036      -14.2624220331  SOLV      373             0.0000000000
      1923       377  SWM4      OH2           -13.4837794357        6.7423420676       -1.5465124347  SOLV      374             0.0000000000
      1924       377  SWM4      DOH2          -13.4668387254        6.8240157812       -1.5525857192  SOLV      374             0.0000000000
      1925       377  SWM4      OM            -13.6871480805        6.6363283103       -1.4746239672  SOLV      374             0.0000000000
      1926       377  SWM4      H1            -14.3765463662        7.0808819977       -1.6141128465  SOLV      374             0.0000000000
      1927       377  SWM4      H2            -13.5824982162        5.8869519296       -1.1284332594  SOLV      374             0.0000000000
      1928       378  SWM4      OH2            -1.1959694054       14.5588719852      -12.1225624306  SOLV      375             0.0000000000
      1929       378  SWM4      DOH2           -1.1494915128       14.6323498008      -12.1895088541  SOLV      375             0.0000000000
      1930       378  SWM4      OM             -1.0626310172       14.4339823570      -11.9663923563  SOLV      375             0.0000000000
      1931       378  SWM4      H1             -1.4732103329       13.8308018412      -11.5664525004  SOLV      375             0.0000000000
      1932       378  SWM4      H2             -0.2686692213       14.6780723562      -11.9173025600  SOLV      375             0.0000000000
      1933       379  SWM4      OH2           -12.5809493643       13.8209920251      -12.9355524271  SOLV      376             0.0000000000
      1934       379  SWM4      DOH2          -12.6187362313       13.7410382297      -12.9034715717  SOLV      376             0.0000000000
      1935       379  SWM4      OM            -12.6144405244       14.0497387173      -12.8698334877  SOLV      376             0.0000000000
      1936       379  SWM4      H1            -13.2670175186       14.1732398951      -12.3685828971  SOLV      376             0.0000000000
      1937       379  SWM4      H2            -12.0581598724       14.5839514607      -13.1821227188  SOLV      376             0.0000000000
      1938       380  SWM4      OH2            -4.7494394107        6.4833720106       -2.6566524300  SOLV      377             0.0000000000
      1939       380  SWM4      DOH2           -4.6430139317        6.4918002763       -2.6987960668  SOLV      377             0.0000000000
      1940       380  SWM4      OM             -4.6842270531        6.3212016265       -2.4916864587  SOLV      377             0.0000000000
      1941       380  SWM4      H1             -4.0506507305        6.5572432077       -2.0066839238  SOLV      377             0.0000000000
      1942       380  SWM4      H2             -5.1302988311        5.6188727553       -2.5023638157  SOLV      377             0.0000000000
      1943       381  SWM4      OH2            -6.7649594386        7.8634220595      -10.7245824327  SOLV      378             0.0000000000
      1944       381  SWM4      DOH2           -6.7823956168        7.9536184169      -10.7859283734  SOLV      378             0.0000000000
      1945       381  SWM4      OM             -6.6485463926        7.9371166859      -10.5276489874  SOLV      378             0.0000000000
      1946       381  SWM4      H1             -5.9527005232        8.3677421352      -10.6784131530  SOLV      378             0.0000000000
      1947       381  SWM4      H2             -7.0096590411        7.7183929062       -9.8106234932  SOLV      378             0.0000000000
      1948       382  SWM4      OH2            -6.2293194393        8.8496920208       -1.5399224432  SOLV      379             0.0000000000
      1949       382  SWM4      DOH2           -6.2558639424        8.8417165130       -1.4659283727  SOLV      379             0.0000000000
      1950       382  SWM4      OM             -6.0704602492        8.8262024575       -1.3610993235  SOLV      379             0.0000000000
      1951       382  SWM4      H1             -6.1102893402        9.4232322341       -0.7828843600  SOLV      379             0.0000000000
      1952       382  SWM4      H2             -5.5738612130        8.1616328952       -1.4251413557  SOLV      379             0.0000000000
      1953       383  SWM4      OH2            -5.8812894195        4.9447220370       -9.7864724142  SOLV      380             0.0000000000
      1954       383  SWM4      DOH2           -5.9252810741        4.7876111716       -9.9152678575  SOLV      380             0.0000000000
      1955       383  SWM4      OM             -5.8172855595        5.1739634695       -9.7530428979  SOLV      380             0.0000000000
      1956       383  SWM4      H1             -6.2279400720        5.5617816176       -9.1420413176  SOLV      380             0.0000000000
      1957       383  SWM4      H2             -5.2225983436        5.4452917643      -10.2679230166  SOLV      380             0.0000000000
      1958       384  SWM4      OH2           -10.2235894047        6.0076620144      -13.0992224314  SOLV      381             0.0000000000
      1959       384  SWM4      DOH2          -10.2857514065        6.0552659863      -13.0885628159  SOLV      381             0.0000000000
      1960       384  SWM4      OM            -10.0581620847        6.1354442846      -12.9806004648  SOLV      381             0.0000000000
      1961       384  SWM4      H1            -10.3071095646        6.8959704263      -12.7525830357  SOLV      381             0.0000000000
      1962       384  SWM4      H2             -9.3335584129        5.7423323127      -12.8675421418  SOLV      381             0.0000000000
      1963       385  SWM4      OH2            -0.0247394109        6.7567220106       -0.7049524416  SOLV      382             0.0000000000
      1964       385  SWM4      DOH2           -0.0528660229        6.6590835331       -0.7919949738  SOLV      382             0.0000000000
      1965       385  SWM4      OM             -0.1438938247        6.8098604722       -0.9068044020  SOLV      382             0.0000000000
      1966       385  SWM4      H1             -0.9411581047        7.0188907175       -0.7925829045  SOLV      382             0.0000000000
      1967       385  SWM4      H2              0.3107592371        6.7536217320       -1.6014218846  SOLV      382             0.0000000000
      1968       386  SWM4      OH2            -1.4226394142       10.5068220838       -6.6092224418  SOLV      383             0.0000000000
      1969       386  SWM4      DOH2           -1.4527887040       10.5365971597       -6.6331261810  SOLV      383             0.0000000000
      1970       386  SWM4      OM             -1.4949325646       10.2800451004       -6.5758809748  SOLV      383             0.0000000000
      1971       386  SWM4      H1             -2.2202003668       10.0918422277       -6.9377209706  SOLV      383             0.0000000000
      1972       386  SWM4      H2             -0.9775314583        9.8161914378       -6.1181734542  SOLV      383             0.0000000000
      1973       387  SWM4      OH2           -13.6491393922        9.0991820082      -14.9228323913  SOLV      384             0.0000000000
      1974       387  SWM4      DOH2          -13.6558493471        9.0214341871      -14.9081746122  SOLV      384             0.0000000000
      1975       387  SWM4      OM            -13.8403910880        9.2435406903      -14.9415160821  SOLV      384             0.0000000000
      1976       387  SWM4      H1            -13.6938791344       10.0384911937      -14.7441322828  SOLV      384             0.0000000000
      1977       387  SWM4      H2            -14.5368186753        8.8636719089      -15.1926214665  SOLV      384             0.0000000000
      1978       388  SWM4      OH2           -12.8409394285        3.8808420214       -6.2497324586  SOLV      385             0.0000000000
      1979       388  SWM4      DOH2          -12.6759047339        3.9506604199       -6.1795118293  SOLV      385             0.0000000000
      1980       388  SWM4      OM            -12.9787104694        3.7306572223       -6.3771267676  SOLV      385             0.0000000000
      1981       388  SWM4      H1            -13.0699586204        3.9400927506       -7.1772318702  SOLV      385             0.0000000000
      1982       388  SWM4      H2            -13.2835985471        3.0893917533       -5.9433214698  SOLV      385             0.0000000000
      1983       389  SWM4      OH2           -10.3739194185       14.5879019678      -15.6724624513  SOLV      386             0.0000000000
      1984       389  SWM4      DOH2          -10.3791266015       14.6076330943      -15.7059254427  SOLV      386             0.0000000000
      1985       389  SWM4      OM            -10.2267849327       14.4006819854      -15.7051081484  SOLV      386             0.0000000000
      1986       389  SWM4      H1            -10.3095098362       13.7938621807      -15.1418219324  SOLV      386             0.0000000000
      1987       389  SWM4      H2             -9.7209995835       14.4691814628      -16.3622614208  SOLV      386             0.0000000000
      1988       390  SWM4      OH2            -8.0596793771       14.2141420714        1.6277175613  SOLV      387             0.0000000000
      1989       390  SWM4      DOH2           -8.1552345600       14.2296321723        1.6272545540  SOLV      387             0.0000000000
      1990       390  SWM4      OM             -8.0959439319       14.0766716809        1.4339328947  SOLV      387             0.0000000000
      1991       390  SWM4      H1             -8.3882994287       14.4849516738        0.7704580679  SOLV      387             0.0000000000
      1992       390  SWM4      H2             -7.9078601363       13.2731219427        1.5402165755  SOLV      387             0.0000000000
      1993       391  SWM4      OH2            -5.0215794265       15.6350720647      -15.9366624195  SOLV      388             0.0000000000
      1994       391  SWM4      DOH2           -5.0231287129       15.6347757282      -15.9323690232  SOLV      388             0.0000000000
      1995       391  SWM4      OM             -5.1190150591       15.4822264706      -15.7788327343  SOLV      388             0.0000000000
      1996       391  SWM4      H1             -5.2901691780       15.8152821552      -15.0357727861  SOLV      388             0.0000000000
      1997       391  SWM4      H2             -5.2280196143       14.7096910538      -16.0680817125  SOLV      388             0.0000000000
      1998       392  SWM4      OH2            -2.3251594136       14.1298719761       -0.9890524392  SOLV      389             0.0000000000
      1999       392  SWM4      DOH2           -2.3518549794       14.0702552049       -0.9815634728  SOLV      389             0.0000000000
      2000       392  SWM4      OM             -2.3275881084       14.3699272666       -1.0005983363  SOLV      389             0.0000000000
      2001       392  SWM4      H1             -1.5796798938       14.7182407449       -1.1086520941  SOLV      389             0.0000000000
      2002       392  SWM4      H2             -3.0824796720       14.7118413673       -0.9257422802  SOLV      389             0.0000000000
      2003       393  SWM4      OH2           -13.8826393871       11.4446619937        1.6150075530  SOLV      390             0.0000000000
      2004       393  SWM4      DOH2          -13.8945364262       11.4395409312        1.6622092984  SOLV      390             0.0000000000
      2005       393  SWM4      OM            -13.8523069139       11.2717070854        1.7791178608  SOLV      390             0.0000000000
      2006       393  SWM4      H1            -13.4745185171       10.5873212419        1.4940678344  SOLV      390             0.0000000000
      2007       393  SWM4      H2            -14.1428793766       11.4587917947        2.5360374602  SOLV      390             0.0000000000
      2008       394  SWM4      OH2            -9.2245394071       12.5605219927      -13.3666623969  SOLV      391             0.0000000000
      2009       394  SWM4      DOH2           -9.2711522499       12.5092482319      -13.3610276522  SOLV      391             0.0000000000
      2010       394  SWM4      OM             -9.2665733023       12.3241028074      -13.3564274828  SOLV      391             0.0000000000
      2011       394  SWM4      H1             -9.6843392013       12.0763522445      -12.6808132601  SOLV      391             0.0000000000
      2012       394  SWM4      H2             -8.9696702542       11.8920617256      -14.0026123990  SOLV      391             0.0000000000
      2013       395  SWM4      OH2            -9.9356094317       10.4532320241       -1.0107024386  SOLV      392             0.0000000000
      2014       395  SWM4      DOH2           -9.8621718608       10.4903599679       -0.9346512452  SOLV      392             0.0000000000
      2015       395  SWM4      OM             -9.9918654191       10.6575343644       -1.1241109691  SOLV      392             0.0000000000
      2016       395  SWM4      H1            -10.5539993034       11.1278918096       -0.7302319926  SOLV      392             0.0000000000
      2017       395  SWM4      H2             -9.5914884834       10.7746224213       -1.8440815640  SOLV      392             0.0000000000
      2018       396  SWM4      OH2            -8.1534994206       10.8037021057      -15.1043424121  SOLV      393             0.0000000000
      2019       396  SWM4      DOH2           -8.3434492201       10.8135113631      -15.1363457638  SOLV      393             0.0000000000
      2020       396  SWM4      OM             -7.9956528181       10.7940594476      -15.2853318845  SOLV      393             0.0000000000
      2021       396  SWM4      H1             -8.3339989668       10.6488213031      -16.0315109788  SOLV      393             0.0000000000
      2022       396  SWM4      H2             -7.2034488142       10.9115725941      -15.0595530182  SOLV      393             0.0000000000
      2023       397  SWM4      OH2            -4.9157893899       12.9247620031        2.2667775688  SOLV      394             0.0000000000
      2024       397  SWM4      DOH2           -4.9254061432       12.8908473479        2.3397024137  SOLV      394             0.0000000000
      2025       397  SWM4      OM             -4.7532198926       12.7959689086        2.3882235855  SOLV      394             0.0000000000
      2026       397  SWM4      H1             -3.9626706097       13.0086720992        2.2393777194  SOLV      394             0.0000000000
      2027       397  SWM4      H2             -5.0763280165       12.2129431010        2.8862667562  SOLV      394             0.0000000000
      2028       398  SWM4      OH2            -9.5962394304        7.8083120437        0.0716075637  SOLV      395             0.0000000000
      2029       398  SWM4      DOH2           -9.5778594561        7.8227162392        0.1433178578  SOLV      395             0.0000000000
      2030       398  SWM4      OM             -9.5649941143        7.8182189167       -0.1664917163  SOLV      395             0.0000000000
      2031       398  SWM4      H1             -9.4461500127        7.0794429754       -0.5304207998  SOLV      395             0.0000000000
      2032       398  SWM4      H2             -9.5939985399        8.5854800845       -0.4871696364  SOLV      395             0.0000000000
      2033       399  SWM4      OH2            -9.1836694828        6.1778920116       -2.4356524266  SOLV      396             0.0000000000
      2034       399  SWM4      DOH2           -9.1579861562        6.2006798945       -2.3609848517  SOLV      396             0.0000000000
      2035       399  SWM4      OM             -9.2485449379        6.2483791702       -2.6560802148  SOLV      396             0.0000000000
      2036       399  SWM4      H1             -8.6479205704        6.6295607201       -3.0877227564  SOLV      396             0.0000000000
      2037       399  SWM4      H2            -10.0357086252        6.0698713019       -2.8582410999  SOLV      396             0.0000000000
      2038       400  SWM4      OH2            -3.1862093983        9.4326921043        2.8323975588  SOLV      397             0.0000000000
      2039       400  SWM4      DOH2           -3.3551437203        9.3869600753        2.7564284085  SOLV      397             0.0000000000
      2040       400  SWM4      OM             -2.9708890099        9.3288820239        2.8073714582  SOLV      397             0.0000000000
      2041       400  SWM4      H1             -2.9940806618        8.5016338970        2.7208468530  SOLV      397             0.0000000000
      2042       400  SWM4      H2             -2.3285778446        9.8576418272        2.8219373316  SOLV      397             0.0000000000
      2043       401  SWM4      OH2            -1.8694894238       12.2212120355        0.9096675633  SOLV      398             0.0000000000
      2044       401  SWM4      DOH2           -1.9661726861       12.1945509441        0.9796100736  SOLV      398             0.0000000000
      2045       401  SWM4      OM             -1.7339221988       12.3518213805        0.7602406319  SOLV      398             0.0000000000
      2046       401  SWM4      H1             -2.1509901400       12.9306709679        0.3320484251  SOLV      398             0.0000000000
      2047       401  SWM4      H2             -0.9270599395       12.1485107626        0.7587877842  SOLV      398             0.0000000000
      2048       402  SWM4      OH2           -11.1176094211        9.0066620205        1.9831675653  SOLV      399             0.0000000000
      2049       402  SWM4      DOH2          -11.0610366042        9.0009026729        2.0739501375  SOLV      399             0.0000000000
      2050       402  SWM4      OM            -11.1357004963        8.8338570543        1.8171048336  SOLV      399             0.0000000000
      2051       402  SWM4      H1            -11.8847084989        8.4741431821        1.7729285390  SOLV      399             0.0000000000
      2052       402  SWM4      H2            -10.4387099771        8.6967034264        1.3837998666  SOLV      399             0.0000000000
      2053       403  SWM4      OH2            -8.3781194765        3.6344620476       -2.0042924469  SOLV      400             0.0000000000
      2054       403  SWM4      DOH2           -8.4013886072        3.6739406757       -1.9346664752  SOLV      400             0.0000000000
      2055       403  SWM4      OM             -8.5505006565        3.7521359073       -2.1234695793  SOLV      400             0.0000000000
      2056       403  SWM4      H1             -8.4761569525        4.5807806034       -2.1096724977  SOLV      400             0.0000000000
      2057       403  SWM4      H2             -9.1204970911        3.2618426154       -2.4799401137  SOLV      400             0.0000000000
      2058       404  SWM4      OH2            -7.1140694133        7.9560020231        1.5595475532  SOLV      401             0.0000000000
      2059       404  SWM4      DOH2           -6.9772579586        8.0067234152        1.6144235969  SOLV      401             0.0000000000
      2060       404  SWM4      OM             -7.3230348950        7.8685798900        1.6398997587  SOLV      401             0.0000000000
      2061       404  SWM4      H1             -7.3495288848        7.7366727333        2.4610380012  SOLV      401             0.0000000000
      2062       404  SWM4      H2             -7.8973801154        7.7491219818        1.0497987025  SOLV      401             0.0000000000
      2063       405  SWM4      OH2            -4.3984094128        7.0833520525        0.6348975616  SOLV      402             0.0000000000
      2064       405  SWM4      DOH2           -4.4139909576        7.1368281687        0.4825238266  SOLV      402             0.0000000000
      2065       405  SWM4      OM             -4.5286141440        6.9616532070        0.7961483400  SOLV      402             0.0000000000
      2066       405  SWM4      H1             -5.3458679853        7.1153225974        0.7672261248  SOLV      402             0.0000000000
      2067       405  SWM4      H2             -4.0857382425        6.4580628903        1.2887151425  SOLV      402             0.0000000000
      2068       406  SWM4      OH2            -2.7642594044        5.7174620219        2.6400875690  SOLV      403             0.0000000000
      2069       406  SWM4      DOH2           -2.7297271484        5.7346054498        2.6264833934  SOLV      403             0.0000000000
      2070       406  SWM4      OM             -2.8501018140        5.5772481060        2.8154067373  SOLV      403             0.0000000000
      2071       406  SWM4      H1             -2.8610801425        4.7651908760        2.6342778138  SOLV      403             0.0000000000
      2072       406  SWM4      H2             -3.0859501191        5.9861418743        3.5006388667  SOLV      403             0.0000000000
      2073       407  SWM4      OH2           -12.9373294100        6.9270420391        1.6876375590  SOLV      404             0.0000000000
      2074       407  SWM4      DOH2          -12.9648234602        6.9719083811        1.7262383529  SOLV      404             0.0000000000
      2075       407  SWM4      OM            -12.9167176082        6.6924365107        1.7356073161  SOLV      404             0.0000000000
      2076       407  SWM4      H1            -12.7255891872        6.2206523402        1.0773882493  SOLV      404             0.0000000000
      2077       407  SWM4      H2            -13.0485793748        6.4896428303        2.5317573468  SOLV      404             0.0000000000
      2078       408  SWM4      OH2            -8.1563093949        2.9282020288        0.6669875646  SOLV      405             0.0000000000
      2079       408  SWM4      DOH2           -8.1774202245        2.9028566351        0.7134336239  SOLV      405             0.0000000000
      2080       408  SWM4      OM             -8.0310099380        2.8517052971        0.4766878834  SOLV      405             0.0000000000
      2081       408  SWM4      H1             -7.4444701941        2.2884230226        0.6528965022  SOLV      405             0.0000000000
      2082       408  SWM4      H2             -8.2572689021        3.1950324225       -0.2467000163  SOLV      405             0.0000000000
      2083       409  SWM4      OH2            -7.8025594147        4.6110420093        2.7206175704  SOLV      406             0.0000000000
      2084       409  SWM4      DOH2           -7.7287919048        4.7325104973        2.7216651558  SOLV      406             0.0000000000
      2085       409  SWM4      OM             -7.9525052910        4.6661644326        2.5410529755  SOLV      406             0.0000000000
      2086       409  SWM4      H1             -7.9343399717        4.1354238865        1.9004679669  SOLV      406             0.0000000000
      2087       409  SWM4      H2             -8.4018179051        5.3554015428        2.6653261496  SOLV      406             0.0000000000
      2088       410  SWM4      OH2             1.6946105969       14.0269320480      -11.6834924723  SOLV      407             0.0000000000
      2089       410  SWM4      DOH2            1.7898438832       14.0109345462      -11.7447743541  SOLV      407             0.0000000000
      2090       410  SWM4      OM              1.8701164528       13.9615211633      -11.5328776675  SOLV      407             0.0000000000
      2091       410  SWM4      H1              2.5447506273       14.4480215568      -11.5563337347  SOLV      407             0.0000000000
      2092       410  SWM4      H2              1.7001212737       13.2869424784      -11.0763537660  SOLV      407             0.0000000000
      2093       411  SWM4      OH2             2.0891706030       12.0806720783       -9.8599225003  SOLV      408             0.0000000000
      2094       411  SWM4      DOH2            2.1593289824       12.1422277738       -9.9105431605  SOLV      408             0.0000000000
      2095       411  SWM4      OM              2.0593859356       12.0244152292       -9.6281600774  SOLV      408             0.0000000000
      2096       411  SWM4      H1              1.3626317200       11.6009328224       -9.4621620337  SOLV      408             0.0000000000
      2097       411  SWM4      H2              2.6704993917       12.2861407587       -9.1277646874  SOLV      408             0.0000000000
      2098       412  SWM4      OH2             1.8482905937       14.8654221199       -4.9121624509  SOLV      409             0.0000000000
      2099       412  SWM4      DOH2            1.8691508499       14.9275449251       -4.8773468963  SOLV      409             0.0000000000
      2100       412  SWM4      OM              2.0422161129       14.9813363300       -4.9941526789  SOLV      409             0.0000000000
      2101       412  SWM4      H1              2.6817093624       14.4874243943       -5.1928010920  SOLV      409             0.0000000000
      2102       412  SWM4      H2              1.9603216488       15.8085400586       -5.0312526594  SOLV      409             0.0000000000
      2103       413  SWM4      OH2             2.3574805925       11.9815220622      -13.4687923830  SOLV      410             0.0000000000
      2104       413  SWM4      DOH2            2.4063284944       12.0257677540      -13.4323622629  SOLV      410             0.0000000000
      2105       413  SWM4      OM              2.2436477600       12.1930347743      -13.4771651086  SOLV      410             0.0000000000
      2106       413  SWM4      H1              1.8355898735       12.3379322127      -14.1877019013  SOLV      410             0.0000000000
      2107       413  SWM4      H2              2.3244013385       12.6563015602      -12.7907017941  SOLV      410             0.0000000000
      2108       414  SWM4      OH2            -0.1241494108       10.6013220021       -9.2970524190  SOLV      411             0.0000000000
      2109       414  SWM4      DOH2           -0.0708197967       10.6861802024       -9.3665353607  SOLV      411             0.0000000000
      2110       414  SWM4      OM             -0.2274583945       10.4651273202       -9.1281030102  SOLV      411             0.0000000000
      2111       414  SWM4      H1             -0.2742680970        9.6561823257       -9.3172726690  SOLV      411             0.0000000000
      2112       414  SWM4      H2             -0.4776992232       10.8824632604       -8.4531423513  SOLV      411             0.0000000000
      2113       415  SWM4      OH2           -15.0889093915       12.6795419974       -5.2866724356  SOLV      412             0.0000000000
      2114       415  SWM4      DOH2          -15.1349108002       12.6321352471       -5.2720121334  SOLV      412             0.0000000000
      2115       415  SWM4      OM            -14.8769050369       12.6372614266       -5.3917065020  SOLV      412             0.0000000000
      2116       415  SWM4      H1            -14.9046207352       12.5977121839       -6.2223796721  SOLV      412             0.0000000000
      2117       415  SWM4      H2            -14.2396222269       12.5552429850       -4.8630332220  SOLV      412             0.0000000000
      2118       416  SWM4      OH2             0.7321405885       12.5716519762        0.3417775602  SOLV      413             0.0000000000
      2119       416  SWM4      DOH2            0.6535173884       12.5888289013        0.2934568420  SOLV      413             0.0000000000
      2120       416  SWM4      OM              0.9673385391       12.5792947525        0.3906569405  SOLV      413             0.0000000000
      2121       416  SWM4      H1              1.3148690648       11.8368828326        0.5334982080  SOLV      413             0.0000000000
      2122       416  SWM4      H2              1.2960698682       13.3436815008        0.3883583153  SOLV      413             0.0000000000
      2123       417  SWM4      OH2             2.2288505808       10.4742320223        1.0263175603  SOLV      414             0.0000000000
      2124       417  SWM4      DOH2            2.2378770896       10.5313720827        1.0515401055  SOLV      414             0.0000000000
      2125       417  SWM4      OM              2.1757342736       10.2450553233        0.9771000077  SOLV      414             0.0000000000
      2126       417  SWM4      H1              1.3655220253       10.0954447977        0.8607871919  SOLV      414             0.0000000000
      2127       417  SWM4      H2              2.8332209479        9.7357123985        0.9518969125  SOLV      414             0.0000000000
      2128       418  SWM4      OH2            -0.4136694125        8.1839020610      -10.8345424268  SOLV      415             0.0000000000
      2129       418  SWM4      DOH2           -0.4574564493        8.1860141070      -10.8358779662  SOLV      415             0.0000000000
      2130       418  SWM4      OM             -0.2005782533        8.0869209986      -10.8888796476  SOLV      415             0.0000000000
      2131       418  SWM4      H1             -0.1339605345        7.2769438921      -10.7103721205  SOLV      415             0.0000000000
      2132       418  SWM4      H2              0.3454994053        8.6180513197      -11.2236212816  SOLV      415             0.0000000000
      2133       419  SWM4      OH2             0.1981605873        8.7656420334       -5.3986524321  SOLV      416             0.0000000000
      2134       419  SWM4      DOH2            0.1194106954        8.7402078326       -5.3552266779  SOLV      416             0.0000000000
      2135       419  SWM4      OM              0.3412375214        8.8298834957       -5.2165324294  SOLV      416             0.0000000000
      2136       419  SWM4      H1              1.1309586515        8.9776321161       -5.4330531042  SOLV      416             0.0000000000
      2137       419  SWM4      H2             -0.0370883001        8.8668511256       -4.4763544563  SOLV      416             0.0000000000
      2138       420  SWM4      OH2             0.2273505868        9.5021720351       -2.6227124311  SOLV      417             0.0000000000
      2139       420  SWM4      DOH2            0.1392542992        9.3849082394       -2.6164495565  SOLV      417             0.0000000000
      2140       420  SWM4      OM              0.1452143548        9.7257952235       -2.5909008630  SOLV      417             0.0000000000
      2141       420  SWM4      H1             -0.6155193265        9.7702114184       -2.2567329910  SOLV      417             0.0000000000
      2142       420  SWM4      H2              0.6697825987       10.3243613103       -2.8336008597  SOLV      417             0.0000000000
      2143       421  SWM4      OH2           -15.4914293469        7.9500420425        0.8542075606  SOLV      418             0.0000000000
      2144       421  SWM4      DOH2          -15.4565204147        7.9811724645        0.8509963218  SOLV      418             0.0000000000
      2145       421  SWM4      OM            -15.3950384364        7.7711414654        0.9825393024  SOLV      418             0.0000000000
      2146       421  SWM4      H1            -14.5719407485        7.8278724532        1.0905182198  SOLV      418             0.0000000000
      2147       421  SWM4      H2            -15.9409795465        7.2000111193        1.2435574521  SOLV      418             0.0000000000
      2148       422  SWM4      OH2             2.5105105842        3.4821920160        2.7307875664  SOLV      419             0.0000000000
      2149       422  SWM4      DOH2            2.5044053340        3.4316103484        2.7223163739  SOLV      419             0.0000000000
      2150       422  SWM4      OM              2.6123810601        3.5198838493        2.5163874192  SOLV      419             0.0000000000
      2151       422  SWM4      H1              2.8602100979        2.8285425784        2.1252566594  SOLV      419             0.0000000000
      2152       422  SWM4      H2              2.6574624882        4.3196010554        2.2910492998  SOLV      419             0.0000000000
      2153       423  SWM4      OH2             0.1998105894        5.4468320576      -10.7863424049  SOLV      420             0.0000000000
      2154       423  SWM4      DOH2            0.2509440411        5.4397725724      -10.7427434211  SOLV      420             0.0000000000
      2155       423  SWM4      OM              0.1142346561        5.2348640427      -10.7120993890  SOLV      420             0.0000000000
      2156       423  SWM4      H1              0.3823099253        4.9979800987       -9.9608431757  SOLV      420             0.0000000000
      2157       423  SWM4      H2             -0.3998991987        4.8622710583      -11.2498828430  SOLV      420             0.0000000000
      2158       424  SWM4      OH2           -14.2701793584        6.2622020041       -6.2545024344  SOLV      421             0.0000000000
      2159       424  SWM4      DOH2          -14.1774829427        6.2506824340       -6.2834205516  SOLV      421             0.0000000000
      2160       424  SWM4      OM            -14.0832258450        6.2467715213       -6.1042496418  SOLV      421             0.0000000000
      2161       424  SWM4      H1            -13.8250191852        5.4704534305       -5.9525310765  SOLV      421             0.0000000000
      2162       424  SWM4      H2            -13.8038802755        6.9787220496       -5.8239424595  SOLV      421             0.0000000000
      2163       425  SWM4      OH2           -15.9661493555        9.2615020764       -5.1854824621  SOLV      422             0.0000000000
      2164       425  SWM4      DOH2          -15.9232317438        9.2504152313       -5.1372013812  SOLV      422             0.0000000000
      2165       425  SWM4      OM            -15.7909677978        9.3885475633       -5.2900598939  SOLV      422             0.0000000000
      2166       425  SWM4      H1            -15.4741696128        9.0405523904       -5.9762828095  SOLV      422             0.0000000000
      2167       425  SWM4      H2            -15.6040604906       10.1018410768       -4.9045320938  SOLV      422             0.0000000000
      2168       426  SWM4      OH2             2.0302305887        5.5916520313        1.0799175577  SOLV      423             0.0000000000
      2169       426  SWM4      DOH2            2.0603837932        5.6281041560        1.1034539955  SOLV      423             0.0000000000
      2170       426  SWM4      OM              1.8672691791        5.5374092882        0.9117896897  SOLV      423             0.0000000000
      2171       426  SWM4      H1              1.1128016967        5.8623619681        1.0442682290  SOLV      423             0.0000000000
      2172       426  SWM4      H2              2.1531692243        5.0564907619        0.2958888272  SOLV      423             0.0000000000
      2173       427  SWM4      OH2             2.0664305631        5.5146420500      -14.2583124301  SOLV      424             0.0000000000
      2174       427  SWM4      DOH2            1.9988925942        5.4702717894      -14.1776576698  SOLV      424             0.0000000000
      2175       427  SWM4      OM              2.2908060539        5.5039824664      -14.3437976825  SOLV      424             0.0000000000
      2176       427  SWM4      H1              2.4786880303        4.7932125937      -14.7335123527  SOLV      424             0.0000000000
      2177       427  SWM4      H2              2.7480799027        6.1841028126      -14.1998823859  SOLV      424             0.0000000000
      2178       428  SWM4      OH2           -15.6524994322        5.5194120289      -11.1312423999  SOLV      425             0.0000000000
      2179       428  SWM4      DOH2          -15.6180386989        5.5125169734      -11.0756413558  SOLV      425             0.0000000000
      2180       428  SWM4      OM            -15.7491436219        5.6615035096      -11.2992769638  SOLV      425             0.0000000000
      2181       428  SWM4      H1            -16.5776578954        5.7280722531      -11.2606921291  SOLV      425             0.0000000000
      2182       428  SWM4      H2            -15.1985107799        6.0034905421      -11.8210114389  SOLV      425             0.0000000000
      2183       429  SWM4      OH2            -0.3966094131        3.2377420114       -6.6654724545  SOLV      426             0.0000000000
      2184       429  SWM4      DOH2           -0.4261843819        3.2777476944       -6.6430849150  SOLV      426             0.0000000000
      2185       429  SWM4      OM             -0.4511782606        3.4154895746       -6.8177673228  SOLV      426             0.0000000000
      2186       429  SWM4      H1              0.2071475270        3.7852820033       -7.1673714805  SOLV      426             0.0000000000
      2187       429  SWM4      H2             -1.2664087265        3.5567825714       -6.9060635157  SOLV      426             0.0000000000
      2188       430  SWM4      OH2             1.3304305916        4.3766120139       -8.3323824921  SOLV      427             0.0000000000
      2189       430  SWM4      DOH2            1.2352375165        4.4137673789       -8.3119323836  SOLV      427             0.0000000000
      2190       430  SWM4      OM              1.5343318237        4.4510232242       -8.4355954135  SOLV      427             0.0000000000
      2191       430  SWM4      H1              1.9421786513        3.8621829918       -8.8590214946  SOLV      427             0.0000000000
      2192       430  SWM4      H2              1.7127666201        5.2538196297       -8.3089400355  SOLV      427             0.0000000000
      2193       431  SWM4      OH2           -13.2125794894        3.7643720288       -8.9561923596  SOLV      428             0.0000000000
      2194       431  SWM4      DOH2          -13.2562103494        3.8257284281       -8.9799781853  SOLV      428             0.0000000000
      2195       431  SWM4      OM            -13.2631724736        3.5528382313       -9.0584640989  SOLV      428             0.0000000000
      2196       431  SWM4      H1            -13.9895985644        3.5298622345       -9.4636008647  SOLV      428             0.0000000000
      2197       431  SWM4      H2            -12.6822188927        2.9675823331       -8.9473926374  SOLV      428             0.0000000000
      2198       432  SWM4      OH2           -14.3762393989        3.5621820156      -13.1525824478  SOLV      429             0.0000000000
      2199       432  SWM4      DOH2          -14.4006879501        3.6189076500      -13.1545453450  SOLV      429             0.0000000000
      2200       432  SWM4      OM            -14.4161733346        3.7979544295      -13.1767143363  SOLV      429             0.0000000000
      2201       432  SWM4      H1            -13.9371705724        4.1732323788      -13.7442328003  SOLV      429             0.0000000000
      2202       432  SWM4      H2            -15.0099977069        4.1005913941      -12.6785822601  SOLV      429             0.0000000000
      2203       433  SWM4      OH2            -8.6333194380        3.6910820222       -9.1428824543  SOLV      430             0.0000000000
      2204       433  SWM4      DOH2           -8.6325010307        3.6467831254       -9.0886439635  SOLV      430             0.0000000000
      2205       433  SWM4      OM             -8.4818568258        3.7266104728       -8.9596816641  SOLV      430             0.0000000000
      2206       433  SWM4      H1             -7.7589800142        4.0795119390       -9.1724514810  SOLV      430             0.0000000000
      2207       433  SWM4      H2             -8.7692396573        3.4758625838       -8.2201618090  SOLV      430             0.0000000000
      2208       434  SWM4      OH2            -3.0764794053        3.7210620404       -7.4937124130  SOLV      431             0.0000000000
      2209       434  SWM4      DOH2           -2.9173045741        3.8206510617       -7.4583323054  SOLV      431             0.0000000000
      2210       434  SWM4      OM             -3.1172812108        3.5543955184       -7.6620073916  SOLV      431             0.0000000000
      2211       434  SWM4      H1             -3.0003209257        3.8162213437       -8.4431114521  SOLV      431             0.0000000000
      2212       434  SWM4      H2             -3.3515591842        2.8133534285       -7.3648015778  SOLV      431             0.0000000000
      2213       435  SWM4      OH2            -1.7232194140        3.7468420218      -11.8012123932  SOLV      432             0.0000000000
      2214       435  SWM4      DOH2           -1.6184103320        3.7831699089      -11.8199695287  SOLV      432             0.0000000000
      2215       435  SWM4      OM             -1.9586413267        3.7012223540      -11.8173693596  SOLV      432             0.0000000000
      2216       435  SWM4      H1             -2.4261090592        4.3617623972      -12.0110712511  SOLV      432             0.0000000000
      2217       435  SWM4      H2             -2.1680779874        2.9095130483      -11.6701227943  SOLV      432             0.0000000000
      2218       436  SWM4      OH2           -12.5153293936        5.4783320201      -14.7101724760  SOLV      433             0.0000000000
      2219       436  SWM4      DOH2          -12.6135647613        5.4546719420      -14.7700191839  SOLV      433             0.0000000000
      2220       436  SWM4      OM            -12.2866312596        5.4098599981      -14.6823443566  SOLV      433             0.0000000000
      2221       436  SWM4      H1            -12.0239900977        4.8485714745      -15.2376222423  SOLV      433             0.0000000000
      2222       436  SWM4      H2            -11.8917000933        5.7742716874      -14.0470530635  SOLV      433             0.0000000000
      2223       437  SWM4      OH2           -13.2547793567        4.2785620337        0.5614275614  SOLV      434             0.0000000000
      2224       437  SWM4      DOH2          -13.3290532030        4.2196162727        0.5877223317  SOLV      434             0.0000000000
      2225       437  SWM4      OM            -13.1426491217        4.1274499658        0.7109521492  SOLV      434             0.0000000000
      2226       437  SWM4      H1            -13.6209580931        3.5128240666        1.0038970860  SOLV      434             0.0000000000
      2227       437  SWM4      H2            -12.3419298711        4.3075815427        0.8479372433  SOLV      434             0.0000000000
      2228       438  SWM4      OH2           -11.2816993893        3.6290020263        2.0971375770  SOLV      435             0.0000000000
      2229       438  SWM4      DOH2          -11.3621358521        3.7250731532        2.1795523107  SOLV      435             0.0000000000
      2230       438  SWM4      OM            -11.1767479990        3.4205269992        2.1544876414  SOLV      435             0.0000000000
      2231       438  SWM4      H1            -10.3833404980        3.3550222080        1.9124787015  SOLV      435             0.0000000000
      2232       438  SWM4      H2            -11.6683884071        2.8866034328        2.5613952259  SOLV      435             0.0000000000
      2233       439  SWM4      OH2            14.7216806478       12.9206019783       -8.9974424577  SOLV      436             0.0000000000
      2234       439  SWM4      DOH2           14.7183906384       12.9340585654       -9.0283494181  SOLV      436             0.0000000000
      2235       439  SWM4      OM             14.6090466304       13.0577124041       -9.1595536793  SOLV      436             0.0000000000
      2236       439  SWM4      H1             14.8107911426       13.8644221318       -9.1297322733  SOLV      436             0.0000000000
      2237       439  SWM4      H2             14.0834403916       12.6452430252       -9.6555016571  SOLV      436             0.0000000000
      2238       440  SWM4      OH2            13.6548106689       12.1756719989       -5.5786224534  SOLV      437             0.0000000000
      2239       440  SWM4      DOH2           13.6138834197       12.2669570113       -5.5421195407  SOLV      437             0.0000000000
      2240       440  SWM4      OM             13.5808462234       11.9473942674       -5.5921949344  SOLV      437             0.0000000000
      2241       440  SWM4      H1             13.6165604394       11.5293026330       -4.8736622392  SOLV      437             0.0000000000
      2242       440  SWM4      H2             13.3324607415       11.7091129513       -6.3497531633  SOLV      437             0.0000000000
      2243       441  SWM4      OH2             6.0233106054       11.7898820422       -3.9856324400  SOLV      438             0.0000000000
      2244       441  SWM4      DOH2            6.0263784066       11.8141419827       -4.0501552494  SOLV      438             0.0000000000
      2245       441  SWM4      OM              6.1759105766       11.7895109937       -3.7999478193  SOLV      438             0.0000000000
      2246       441  SWM4      H1              6.0645208080       11.1642131390       -3.2623921978  SOLV      438             0.0000000000
      2247       441  SWM4      H2              6.7260806974       12.4137423431       -3.8035930272  SOLV      438             0.0000000000
      2248       442  SWM4      OH2             3.5566706089        9.9000319452      -10.0578424679  SOLV      439             0.0000000000
      2249       442  SWM4      DOH2            3.6101223265        9.9114987532      -10.0809534938  SOLV      439             0.0000000000
      2250       442  SWM4      OM              3.3498064291        9.9546514397      -10.1673396522  SOLV      439             0.0000000000
      2251       442  SWM4      H1              3.1090105250       10.7459006842      -10.0761921737  SOLV      439             0.0000000000
      2252       442  SWM4      H2              2.9957901720        9.3204530236      -10.5733329521  SOLV      439             0.0000000000
      2253       443  SWM4      OH2             4.2672806052       12.0619919545       -7.9320424484  SOLV      440             0.0000000000
      2254       443  SWM4      DOH2            4.1740712001       12.1375355412       -7.9729481211  SOLV      440             0.0000000000
      2255       443  SWM4      OM              4.4623679176       11.9224788401       -7.9476191025  SOLV      440             0.0000000000
      2256       443  SWM4      H1              4.4806295497       11.2921540475       -7.4047430598  SOLV      440             0.0000000000
      2257       443  SWM4      H2              5.0050393846       12.1516622146       -8.5352828691  SOLV      440             0.0000000000
      2258       444  SWM4      OH2             8.3397806341        7.1036920249       -7.5725624328  SOLV      441             0.0000000000
      2259       444  SWM4      DOH2            8.3748911188        7.1039801427       -7.4739917097  SOLV      441             0.0000000000
      2260       444  SWM4      OM              8.2547657511        7.1667272982       -7.7883510638  SOLV      441             0.0000000000
      2261       444  SWM4      H1              8.3828914804        7.9635418609       -7.9909313165  SOLV      441             0.0000000000
      2262       444  SWM4      H2              7.8821917938        6.5511622817       -8.2062419909  SOLV      441             0.0000000000
      2263       445  SWM4      OH2             4.9599305758        9.5002720150       -6.8104224583  SOLV      442             0.0000000000
      2264       445  SWM4      DOH2            4.9221717028        9.5330721033       -6.8331960870  SOLV      442             0.0000000000
      2265       445  SWM4      OM              5.0989147746        9.3312714029       -6.9098601412  SOLV      442             0.0000000000
      2266       445  SWM4      H1              5.6135905122        8.9504427271       -6.3784129516  SOLV      442             0.0000000000
      2267       445  SWM4      H2              4.9838599333        9.2261729739       -7.7272202570  SOLV      442             0.0000000000
      2268       446  SWM4      OH2            10.1163805065       11.0504020561       -7.5952724168  SOLV      443             0.0000000000
      2269       446  SWM4      DOH2           10.1518377364       11.1267818806       -7.6159038620  SOLV      443             0.0000000000
      2270       446  SWM4      OM             10.1225298765       10.8111170445       -7.5735793985  SOLV      443             0.0000000000
      2271       446  SWM4      H1             10.7324791411       10.5239436275       -7.0858731787  SOLV      443             0.0000000000
      2272       446  SWM4      H2              9.5302610716       10.4102735508       -7.9989112781  SOLV      443             0.0000000000
      2273       447  SWM4      OH2             7.1499706064        6.0215320449       -3.4984824485  SOLV      444             0.0000000000
      2274       447  SWM4      DOH2            7.2291306956        6.0245583498       -3.5033434662  SOLV      444             0.0000000000
      2275       447  SWM4      OM              6.9680853057        6.1767254929       -3.5229448981  SOLV      444             0.0000000000
      2276       447  SWM4      H1              6.9311416065        6.5515893393       -4.2648818265  SOLV      444             0.0000000000
      2277       447  SWM4      H2              6.4820634548        6.2480818120       -2.8513439631  SOLV      444             0.0000000000
      2278       448  SWM4      OH2            14.5189506155       15.5216420571       -9.9545724172  SOLV      445             0.0000000000
      2279       448  SWM4      DOH2           14.5202166228       15.5373900719       -9.8887062452  SOLV      445             0.0000000000
      2280       448  SWM4      OM             14.3918395492       15.6399719286      -10.1207245099  SOLV      445             0.0000000000
      2281       448  SWM4      H1             14.2234603229       15.1988711456      -10.8058815754  SOLV      445             0.0000000000
      2282       448  SWM4      H2             14.1947306628       16.4213121419       -9.9133117420  SOLV      445             0.0000000000
      2283       449  SWM4      OH2             9.7191105874       13.6971020147       -3.2111124506  SOLV      446             0.0000000000
      2284       449  SWM4      DOH2            9.7179366331       13.6616667550       -3.2419987655  SOLV      446             0.0000000000
      2285       449  SWM4      OM              9.7137493409       13.9334152126       -3.2546213211  SOLV      446             0.0000000000
      2286       449  SWM4      H1              8.9790216159       14.2952518456       -3.1075931364  SOLV      446             0.0000000000
      2287       449  SWM4      H2             10.4330620860       14.2510606639       -3.5267529318  SOLV      446             0.0000000000
      2288       450  SWM4      OH2             6.7437005950        7.9137120561       -5.5462624507  SOLV      447             0.0000000000
      2289       450  SWM4      DOH2            6.6983991064        7.9584538285       -5.5320890753  SOLV      447             0.0000000000
      2290       450  SWM4      OM              6.9745986876        7.9465837396       -5.6043243540  SOLV      447             0.0000000000
      2291       450  SWM4      H1              7.3573303102        8.5464724889       -5.1730236225  SOLV      447             0.0000000000
      2292       450  SWM4      H2              7.2557715569        7.4412116134       -6.2025713578  SOLV      447             0.0000000000
      2293       451  SWM4      OH2             4.2476305880       15.3321920974      -11.6420324119  SOLV      448             0.0000000000
      2294       451  SWM4      DOH2            4.2153064945       15.3519131289      -11.6784210625  SOLV      448             0.0000000000
      2295       451  SWM4      OM              4.2012049722       15.5510456598      -11.7298583026  SOLV      448             0.0000000000
      2296       451  SWM4      H1              3.9757212899       15.5612916845      -12.5307407214  SOLV      448             0.0000000000
      2297       451  SWM4      H2              4.2932004393       16.1700735823      -11.1815025437  SOLV      448             0.0000000000
      2298       452  SWM4      OH2            11.1764406073        3.3270420241       -6.0459924830  SOLV      449             0.0000000000
      2299       452  SWM4      DOH2           11.2125641455        3.3439527350       -6.0877674564  SOLV      449             0.0000000000
      2300       452  SWM4      OM             10.9769525983        3.2007349017       -6.0010841965  SOLV      449             0.0000000000
      2301       452  SWM4      H1             11.0588616923        2.3786435313       -6.1001611057  SOLV      449             0.0000000000
      2302       452  SWM4      H2             10.3214525122        3.6596534986       -5.7728815789  SOLV      449             0.0000000000
      2303       453  SWM4      OH2            13.4429306377       12.1646019890      -11.5454124494  SOLV      450             0.0000000000
      2304       453  SWM4      DOH2           13.4486934704       12.1191576911      -11.4874748282  SOLV      450             0.0000000000
      2305       453  SWM4      OM             13.4387276537       12.2856575793      -11.7530023649  SOLV      450             0.0000000000
      2306       453  SWM4      H1             12.7314809559       12.6995711177      -11.8973612015  SOLV      450             0.0000000000
      2307       453  SWM4      H2             14.1338899861       12.2198115501      -12.2055211908  SOLV      450             0.0000000000
      2308       454  SWM4      OH2            13.4968506457       10.6220320318      -14.5069124546  SOLV      451             0.0000000000
      2309       454  SWM4      DOH2           13.5053001505       10.6309707033      -14.5115624623  SOLV      451             0.0000000000
      2310       454  SWM4      OM             13.7026371887       10.4978684331      -14.5078700023  SOLV      451             0.0000000000
      2311       454  SWM4      H1             14.1978409989       10.6447225936      -13.8555122051  SOLV      451             0.0000000000
      2312       454  SWM4      H2             13.7991400814        9.9940018353      -15.1629808707  SOLV      451             0.0000000000
      2313       455  SWM4      OH2             8.4940706204       13.0045519983       -8.7113224241  SOLV      452             0.0000000000
      2314       455  SWM4      DOH2            8.5077180387       13.0022028786       -8.6572959500  SOLV      452             0.0000000000
      2315       455  SWM4      OM              8.5469759673       12.7909757187       -8.8080273272  SOLV      452             0.0000000000
      2316       455  SWM4      H1              8.1635918476       12.6338943868       -9.5296213363  SOLV      452             0.0000000000
      2317       455  SWM4      H2              9.0824813584       12.3339541324       -8.3644919747  SOLV      452             0.0000000000
      2318       456  SWM4      OH2             8.8606205855       11.7731119959       -5.0778224432  SOLV      453             0.0000000000
      2319       456  SWM4      DOH2            8.8634248439       11.7067685905       -5.0460231746  SOLV      453             0.0000000000
      2320       456  SWM4      OM              9.0419687809       11.9287762450       -5.1032622577  SOLV      453             0.0000000000
      2321       456  SWM4      H1              9.4258693884       11.8945323362       -5.8407021384  SOLV      453             0.0000000000
      2322       456  SWM4      H2              9.1795098202       12.4106111476       -4.4389707670  SOLV      453             0.0000000000
      2323       457  SWM4      OH2             6.6606805860       12.3704920473       -1.1320624373  SOLV      454             0.0000000000
      2324       457  SWM4      DOH2            6.6812954324       12.2801307158       -1.1816211460  SOLV      454             0.0000000000
      2325       457  SWM4      OM              6.4923917008       12.5250320726       -1.0574843799  SOLV      454             0.0000000000
      2326       457  SWM4      H1              6.7310029518       13.0211700497       -0.4335639057  SOLV      454             0.0000000000
      2327       457  SWM4      H2              5.7699025062       12.4732404079       -1.4669717070  SOLV      454             0.0000000000
      2328       458  SWM4      OH2             7.4843405445       12.0739819543      -11.1220424630  SOLV      455             0.0000000000
      2329       458  SWM4      DOH2            7.5714134014       12.0755838622      -11.0477726722  SOLV      455             0.0000000000
      2330       458  SWM4      OM              7.2861290142       12.0962966404      -11.2561314712  SOLV      455             0.0000000000
      2331       458  SWM4      H1              7.1924718338       12.8421524068      -11.6129113048  SOLV      455             0.0000000000
      2332       458  SWM4      H2              6.8098618232       11.4146026524      -11.2849023778  SOLV      455             0.0000000000
      2333       459  SWM4      OH2             3.5773505828       14.4369020132       -2.3070624523  SOLV      456             0.0000000000
      2334       459  SWM4      DOH2            3.5861466878       14.4724134883       -2.2961389154  SOLV      456             0.0000000000
      2335       459  SWM4      OM              3.4756563847       14.2453776103       -2.4107077453  SOLV      456             0.0000000000
      2336       459  SWM4      H1              3.0761906919       14.4088425918       -3.1220939707  SOLV      456             0.0000000000
      2337       459  SWM4      H2              3.5827211812       13.5312234134       -1.9973329744  SOLV      456             0.0000000000
      2338       460  SWM4      OH2             5.8264005749       15.7604420815       -1.2637824425  SOLV      457             0.0000000000
      2339       460  SWM4      DOH2            5.8999391274       15.8591509403       -1.2641041941  SOLV      457             0.0000000000
      2340       460  SWM4      OM              5.6952505788       15.6094657652       -1.1304724804  SOLV      457             0.0000000000
      2341       460  SWM4      H1              6.0425319319       15.3990041653       -0.4042029308  SOLV      457             0.0000000000
      2342       460  SWM4      H2              4.9708714933       15.3858234555       -1.4734337797  SOLV      457             0.0000000000
      2343       461  SWM4      OH2             8.4452005337        4.2304920203       -5.2683623988  SOLV      458             0.0000000000
      2344       461  SWM4      DOH2            8.4809975487        4.2418547645       -5.1697175484  SOLV      458             0.0000000000
      2345       461  SWM4      OM              8.2638701629        4.3881879672       -5.2642499391  SOLV      458             0.0000000000
      2346       461  SWM4      H1              7.5835720966        4.1433122713       -5.6760727999  SOLV      458             0.0000000000
      2347       461  SWM4      H2              8.4227703423        5.0865030248       -4.8406017102  SOLV      458             0.0000000000
      2348       462  SWM4      OH2            13.1079805903        3.9525320195       -1.8936624418  SOLV      459             0.0000000000
      2349       462  SWM4      DOH2           13.1500870853        4.0088533111       -1.9266028180  SOLV      459             0.0000000000
      2350       462  SWM4      OM             13.0028129029        3.8307029178       -1.7151600454  SOLV      459             0.0000000000
      2351       462  SWM4      H1             13.5282902512        3.5372417864       -1.1406019258  SOLV      459             0.0000000000
      2352       462  SWM4      H2             12.1749425551        3.7738636389       -1.7764622165  SOLV      459             0.0000000000
      2353       463  SWM4      OH2            12.7697106326        6.4448720315      -14.6085824803  SOLV      460             0.0000000000
      2354       463  SWM4      DOH2           12.8608750187        6.5522994377      -14.5858503666  SOLV      460             0.0000000000
      2355       463  SWM4      OM             12.6650381585        6.2700519167      -14.4811174299  SOLV      460             0.0000000000
      2356       463  SWM4      H1             12.5161918987        6.4640331545      -13.6857727723  SOLV      460             0.0000000000
      2357       463  SWM4      H2             12.5129216546        5.5734127882      -14.9099639888  SOLV      460             0.0000000000
      2358       464  SWM4      OH2             8.5362105186        9.1959419983       -4.1733424593  SOLV      461             0.0000000000
      2359       464  SWM4      DOH2            8.5566577782        9.0984846548       -4.1937014988  SOLV      461             0.0000000000
      2360       464  SWM4      OM              8.4122002461        9.3777151332       -4.0766695660  SOLV      461             0.0000000000
      2361       464  SWM4      H1              7.8944212451        9.1556706872       -3.4643341979  SOLV      461             0.0000000000
      2362       464  SWM4      H2              8.5734112445       10.1224129170       -4.4110408380  SOLV      461             0.0000000000
      2363       465  SWM4      OH2             8.5331205637        9.4169520508       -9.2613424824  SOLV      462             0.0000000000
      2364       465  SWM4      DOH2            8.6144422116        9.4034225348       -9.1212552831  SOLV      462             0.0000000000
      2365       465  SWM4      OM              8.4424497045        9.2698227583       -9.4283676545  SOLV      462             0.0000000000
      2366       465  SWM4      H1              7.6404130656        9.0765623535       -9.3199619967  SOLV      462             0.0000000000
      2367       465  SWM4      H2              8.9837813112        9.0400436902      -10.0170196189  SOLV      462             0.0000000000
      2368       466  SWM4      OH2            14.0686705778        9.8329820715      -10.4442625069  SOLV      463             0.0000000000
      2369       466  SWM4      DOH2           14.1046346476        9.8726759137      -10.4267212754  SOLV      463             0.0000000000
      2370       466  SWM4      OM             14.1325936439        9.9714052496      -10.6300539045  SOLV      463             0.0000000000
      2371       466  SWM4      H1             13.6597007799       10.6478416656      -10.7357824644  SOLV      463             0.0000000000
      2372       466  SWM4      H2             14.7892919408        9.6929932162      -11.0585531178  SOLV      463             0.0000000000
      2373       467  SWM4      OH2            15.0734406166        9.2790220213       -7.6302924300  SOLV      464             0.0000000000
      2374       467  SWM4      DOH2           15.0093933886        9.2492425838       -7.5388265466  SOLV      464             0.0000000000
      2375       467  SWM4      OM             15.0705096172        9.2322968844       -7.8660335179  SOLV      464             0.0000000000
      2376       467  SWM4      H1             14.8778913368        9.8847025144       -8.3452315928  SOLV      464             0.0000000000
      2377       467  SWM4      H2             15.2547008133        8.4455426453       -8.0646612696  SOLV      464             0.0000000000
      2378       468  SWM4      OH2             6.2862606188        9.5162920331       -2.3061424389  SOLV      465             0.0000000000
      2379       468  SWM4      DOH2            6.3361222589        9.5305797850       -2.3167925352  SOLV      465             0.0000000000
      2380       468  SWM4      OM              6.1777651083        9.4308416450       -2.1094379517  SOLV      465             0.0000000000
      2381       468  SWM4      H1              6.2481983042        9.9164536800       -1.4374343449  SOLV      465             0.0000000000
      2382       468  SWM4      H2              5.7953721619        8.6995323927       -2.2158525945  SOLV      465             0.0000000000
      2383       469  SWM4      OH2             9.6520005346        6.8905219942      -15.5075424411  SOLV      466             0.0000000000
      2384       469  SWM4      DOH2            9.7004466816        6.9826795264      -15.4906186432  SOLV      466             0.0000000000
      2385       469  SWM4      OM              9.4163119171        6.8754748136      -15.4629323234  SOLV      466             0.0000000000
      2386       469  SWM4      H1              9.2210706009        6.4455314558      -14.7778032330  SOLV      466             0.0000000000
      2387       469  SWM4      H2              8.9338699717        7.2621521982      -16.0197928105  SOLV      466             0.0000000000
      2388       470  SWM4      OH2             2.8943405787        6.6324720260       -8.4556724248  SOLV      467             0.0000000000
      2389       470  SWM4      DOH2            2.8636052239        6.7275187793       -8.4776258056  SOLV      467             0.0000000000
      2390       470  SWM4      OM              3.1159072494        6.5393656915       -8.4579331079  SOLV      467             0.0000000000
      2391       470  SWM4      H1              3.5251093298        6.6036829100       -7.7362848034  SOLV      467             0.0000000000
      2392       470  SWM4      H2              3.3437703333        6.2073421444       -9.1860816716  SOLV      467             0.0000000000
      2393       471  SWM4      OH2             4.1685505794        7.3786720358      -13.0316325311  SOLV      468             0.0000000000
      2394       471  SWM4      DOH2            4.2099032769        7.3285156161      -13.0825418577  SOLV      468             0.0000000000
      2395       471  SWM4      OM              4.1186686029        7.6086640677      -13.0804289587  SOLV      468             0.0000000000
      2396       471  SWM4      H1              4.6427198954        7.9696613654      -13.6165405485  SOLV      468             0.0000000000
      2397       471  SWM4      H2              3.4511921525        7.9089606745      -12.6846215759  SOLV      468             0.0000000000
      2398       472  SWM4      OH2            14.3373605942       10.9171520266       -2.9590524432  SOLV      469             0.0000000000
      2399       472  SWM4      DOH2           14.3697724758       10.9534505515       -2.9759052453  SOLV      469             0.0000000000
      2400       472  SWM4      OM             14.3134467468       10.6780275930       -2.9554037447  SOLV      469             0.0000000000
      2401       472  SWM4      H1             14.6608416557       10.2861203294       -3.6020030486  SOLV      469             0.0000000000
      2402       472  SWM4      H2             13.8972921679       10.3823730170       -2.2983135923  SOLV      469             0.0000000000
      2403       473  SWM4      OH2            11.1146505761        6.8447020360       -8.1749324384  SOLV      470             0.0000000000
      2404       473  SWM4      DOH2           11.1484848682        6.9217072684       -8.1656145259  SOLV      470             0.0000000000
      2405       473  SWM4      OM             11.0314568219        6.8439291744       -7.9494465707  SOLV      470             0.0000000000
      2406       473  SWM4      H1             10.2037620458        6.9013833205       -7.8863311196  SOLV      470             0.0000000000
      2407       473  SWM4      H2             11.6199410467        6.7842533372       -7.3642118443  SOLV      470             0.0000000000
      2408       474  SWM4      OH2             5.9429905817        8.4733320498       -9.3481724178  SOLV      471             0.0000000000
      2409       474  SWM4      DOH2            5.9587618839        8.5396003700       -9.3708685155  SOLV      471             0.0000000000
      2410       474  SWM4      OM              5.8214179315        8.3211067143       -9.4889319627  SOLV      471             0.0000000000
      2411       474  SWM4      H1              5.0537920622        8.5728806934       -9.6882122032  SOLV      471             0.0000000000
      2412       474  SWM4      H2              6.2394821343        7.6316341158       -9.6943824425  SOLV      471             0.0000000000
      2413       475  SWM4      OH2             9.5961706051        8.4735920184      -11.6917124870  SOLV      472             0.0000000000
      2414       475  SWM4      DOH2            9.5821644280        8.4822675714      -11.6249933293  SOLV      472             0.0000000000
      2415       475  SWM4      OM              9.7431512619        8.6373613432      -11.7883662134  SOLV      472             0.0000000000
      2416       475  SWM4      H1             10.5277212435        8.6025917391      -11.5134025104  SOLV      472             0.0000000000
      2417       475  SWM4      H2              9.3812006422        9.1430232352      -12.3412424890  SOLV      472             0.0000000000
      2418       476  SWM4      OH2            15.5198405941        6.0793320597       -4.9107524575  SOLV      473             0.0000000000
      2419       476  SWM4      DOH2           15.6228053725        6.1449722165       -4.8624466128  SOLV      473             0.0000000000
      2420       476  SWM4      OM             15.2814250888        6.0744626249       -4.9407527380  SOLV      473             0.0000000000
      2421       476  SWM4      H1             14.8430023938        6.2106431540       -4.2467824685  SOLV      473             0.0000000000
      2422       476  SWM4      H2             15.0343317349        5.9242813458       -5.7209831792  SOLV      473             0.0000000000
      2423       477  SWM4      OH2             8.2701906383        9.6678119510      -14.1251023904  SOLV      474             0.0000000000
      2424       477  SWM4      DOH2            8.2237710883        9.5972474256      -13.9843524977  SOLV      474             0.0000000000
      2425       477  SWM4      OM              8.3298798982        9.6298347314      -14.3547992168  SOLV      474             0.0000000000
      2426       477  SWM4      H1              7.7277014218        9.2881923244      -14.8163419622  SOLV      474             0.0000000000
      2427       477  SWM4      H2              9.1036805934        9.8622826138      -14.5536921451  SOLV      474             0.0000000000
      2428       478  SWM4      OH2             6.4053306073       14.2250020891        0.9740575619  SOLV      475             0.0000000000
      2429       478  SWM4      DOH2            6.4941496528       14.2906468637        0.8899014883  SOLV      475             0.0000000000
      2430       478  SWM4      OM              6.3955073860       14.3191768196        1.1949653880  SOLV      475             0.0000000000
      2431       478  SWM4      H1              7.1375684931       14.4795912161        1.5355049462  SOLV      475             0.0000000000
      2432       478  SWM4      H2              5.6252017586       14.4295410267        1.4895963063  SOLV      475             0.0000000000
      2433       479  SWM4      OH2            12.4346206019        9.6320020251       -6.2879724589  SOLV      476             0.0000000000
      2434       479  SWM4      DOH2           12.5263163794        9.6607101652       -6.3314641391  SOLV      476             0.0000000000
      2435       479  SWM4      OM             12.5200884298        9.4129069515       -6.2383914577  SOLV      476             0.0000000000
      2436       479  SWM4      H1             12.9989601593        9.0856630481       -6.8350111268  SOLV      476             0.0000000000
      2437       479  SWM4      H2             12.2869597469        9.1101935663       -5.4992129784  SOLV      476             0.0000000000
      2438       480  SWM4      OH2             7.4365905688        5.7686120489       -9.8694923890  SOLV      477             0.0000000000
      2439       480  SWM4      DOH2            7.4705511668        5.8194232984       -9.8069747887  SOLV      477             0.0000000000
      2440       480  SWM4      OM              7.5318368839        5.5838605941       -9.9901604809  SOLV      477             0.0000000000
      2441       480  SWM4      H1              7.1195415436        4.8661431395       -9.9049532092  SOLV      477             0.0000000000
      2442       480  SWM4      H2              8.2179994837        5.7703513525      -10.4223315248  SOLV      477             0.0000000000
      2443       481  SWM4      OH2            11.0612106531        8.0206119979       -3.8739324506  SOLV      478             0.0000000000
      2444       481  SWM4      DOH2           11.0857591300        8.0419242932       -3.8398185180  SOLV      478             0.0000000000
      2445       481  SWM4      OM             10.9973358096        8.1703045533       -3.6970769070  SOLV      478             0.0000000000
      2446       481  SWM4      H1             10.2257420504        8.4745615520       -3.7636924324  SOLV      478             0.0000000000
      2447       481  SWM4      H2             11.5852691748        8.2964619381       -3.1219447571  SOLV      478             0.0000000000
      2448       482  SWM4      OH2            11.6054706131       14.2333820112      -12.1892924165  SOLV      479             0.0000000000
      2449       482  SWM4      DOH2           11.6222180530       14.1570233571      -12.0915508296  SOLV      479             0.0000000000
      2450       482  SWM4      OM             11.4251399728       14.1393031076      -12.0612467094  SOLV      479             0.0000000000
      2451       482  SWM4      H1             10.8605706073       13.7259121361      -12.5115001779  SOLV      479             0.0000000000
      2452       482  SWM4      H2             11.4711902354       14.2821811492      -11.2428125016  SOLV      479             0.0000000000
      2453       483  SWM4      OH2            15.5031506124        7.0473720327      -13.9900324365  SOLV      480             0.0000000000
      2454       483  SWM4      DOH2           15.5368528095        7.1001508126      -13.9247704666  SOLV      480             0.0000000000
      2455       483  SWM4      OM             15.3715966786        7.2459736345      -13.9581473591  SOLV      480             0.0000000000
      2456       483  SWM4      H1             14.5645707533        7.1589330457      -14.1411517055  SOLV      480             0.0000000000
      2457       483  SWM4      H2             15.8003601848        7.9040619835      -13.6834623330  SOLV      480             0.0000000000
      2458       484  SWM4      OH2             6.7303005461       13.5283820468       -6.4195024502  SOLV      481             0.0000000000
      2459       484  SWM4      DOH2            6.7383886861       13.5231996242       -6.4827886310  SOLV      481             0.0000000000
      2460       484  SWM4      OM              6.8989820247       13.3589474756       -6.4440834136  SOLV      481             0.0000000000
      2461       484  SWM4      H1              7.4750182502       13.5259517290       -7.0208517352  SOLV      481             0.0000000000
      2462       484  SWM4      H2              6.8079602396       12.7047627807       -5.9379937237  SOLV      481             0.0000000000
      2463       485  SWM4      OH2            13.7308806375       15.6918120735      -13.1638324428  SOLV      482             0.0000000000
      2464       485  SWM4      DOH2           13.7193290374       15.6507073774      -13.0942304447  SOLV      482             0.0000000000
      2465       485  SWM4      OM             13.5261431966       15.7343693113      -13.0453537918  SOLV      482             0.0000000000
      2466       485  SWM4      H1             13.4357203552       16.5186021577      -12.7823516796  SOLV      482             0.0000000000
      2467       485  SWM4      H2             13.0278814834       15.0725025226      -12.9676920268  SOLV      482             0.0000000000
      2468       486  SWM4      OH2             3.7382705977       11.9890719660       -1.1046524367  SOLV      483             0.0000000000
      2469       486  SWM4      DOH2            3.7344502853       12.1197642364       -1.1683099159  SOLV      483             0.0000000000
      2470       486  SWM4      OM              3.6605066133       11.7776961776       -1.0207557983  SOLV      483             0.0000000000
      2471       486  SWM4      H1              3.9611307240       11.5710323537       -0.2729041473  SOLV      483             0.0000000000
      2472       486  SWM4      H2              3.1362815107       11.3765733915       -1.5273728247  SOLV      483             0.0000000000
      2473       487  SWM4      OH2            10.7547605848       11.5060620505        1.1083175532  SOLV      484             0.0000000000
      2474       487  SWM4      DOH2           10.7557889378       11.5750653746        1.1107159283  SOLV      484             0.0000000000
      2475       487  SWM4      OM             10.8851314143       11.4269554970        0.9225454143  SOLV      484             0.0000000000
      2476       487  SWM4      H1             10.4588416138       11.3403619025        0.2132278144  SOLV      484             0.0000000000
      2477       487  SWM4      H2             11.6862797069       11.2860922522        1.0977077766  SOLV      484             0.0000000000
      2478       488  SWM4      OH2             4.8600105797       11.9086120802      -14.4281124393  SOLV      485             0.0000000000
      2479       488  SWM4      DOH2            4.9294636819       11.9158215625      -14.4188429020  SOLV      485             0.0000000000
      2480       488  SWM4      OM              4.8096043073       12.1019715612      -14.2945574413  SOLV      485             0.0000000000
      2481       488  SWM4      H1              5.4760006912       12.5353318371      -14.0486322123  SOLV      485             0.0000000000
      2482       488  SWM4      H2              3.9982712522       12.2245918805      -14.1564624885  SOLV      485             0.0000000000
      2483       489  SWM4      OH2             5.3722206089        6.7423420296       -1.5465124415  SOLV      486             0.0000000000
      2484       489  SWM4      DOH2            5.4407135509        6.8220927877       -1.5252643083  SOLV      486             0.0000000000
      2485       489  SWM4      OM              5.1688518496        6.6363283148       -1.4746240252  SOLV      486             0.0000000000
      2486       489  SWM4      H1              4.4794527846        7.0808820564       -1.6141129506  SOLV      486             0.0000000000
      2487       489  SWM4      H2              5.2735028812        5.8869518457       -1.1284336937  SOLV      486             0.0000000000
      2488       490  SWM4      OH2             6.2750505984       13.8209920089      -12.9355524523  SOLV      487             0.0000000000
      2489       490  SWM4      DOH2            6.2862229443       13.7540116956      -12.8899436790  SOLV      487             0.0000000000
      2490       490  SWM4      OM              6.2415596336       14.0497387309      -12.8698333361  SOLV      487             0.0000000000
      2491       490  SWM4      H1              5.5889824187       14.1732404699      -12.3685824757  SOLV      487             0.0000000000
      2492       490  SWM4      H2              6.7978407964       14.5839514918      -13.1821222178  SOLV      487             0.0000000000
      2493       491  SWM4      OH2            14.1065605607        6.4833720414       -2.6566524417  SOLV      488             0.0000000000
      2494       491  SWM4      DOH2           14.2504173217        6.5608606964       -2.8255728405  SOLV      488             0.0000000000
      2495       491  SWM4      OM             14.1717730460        6.3212016127       -2.4916864217  SOLV      488             0.0000000000
      2496       491  SWM4      H1             14.8053506505        6.5572440090       -2.0066842201  SOLV      488             0.0000000000
      2497       491  SWM4      H2             13.7256998930        5.6188728001       -2.5023641077  SOLV      488             0.0000000000
      2498       492  SWM4      OH2            14.8910506461        6.1355420413      -11.5594224820  SOLV      489             0.0000000000
      2499       492  SWM4      DOH2           14.8340010460        6.1573128370      -11.5436754777  SOLV      489             0.0000000000
      2500       492  SWM4      OM             15.0506752238        6.3131284782      -11.5867840987  SOLV      489             0.0000000000
      2501       492  SWM4      H1             15.1108798795        6.6070814380      -12.3628803948  SOLV      489             0.0000000000
      2502       492  SWM4      H2             15.4494513778        6.5298031016      -10.8893627032  SOLV      489             0.0000000000
      2503       493  SWM4      OH2            12.0910405889        7.8634220614      -10.7245825249  SOLV      490             0.0000000000
      2504       493  SWM4      DOH2           12.0615590655        7.9334264858      -10.7318861210  SOLV      490             0.0000000000
      2505       493  SWM4      OM             12.2074536151        7.9371165634      -10.5276488003  SOLV      490             0.0000000000
      2506       493  SWM4      H1             12.9033005274        8.3677415267      -10.6784125706  SOLV      490             0.0000000000
      2507       493  SWM4      H2             11.8463405016        7.7183930190       -9.8106229487  SOLV      490             0.0000000000
      2508       494  SWM4      OH2            12.9747105146        4.9447220233       -9.7864725068  SOLV      491             0.0000000000
      2509       494  SWM4      DOH2           12.8593414811        4.8217884048       -9.8992239922  SOLV      491             0.0000000000
      2510       494  SWM4      OM             13.0387145457        5.1739634935       -9.7530426418  SOLV      491             0.0000000000
      2511       494  SWM4      H1             12.6280601652        5.5617820875       -9.1420415432  SOLV      491             0.0000000000
      2512       494  SWM4      H2             13.6334016181        5.4452913453      -10.2679218781  SOLV      491             0.0000000000
      2513       495  SWM4      OH2             8.6324105972        6.0076620441      -13.0992224818  SOLV      492             0.0000000000
      2514       495  SWM4      DOH2            8.6116852807        6.0599529865      -13.1070185641  SOLV      492             0.0000000000
      2515       495  SWM4      OM              8.7978377769        6.1354442592      -12.9806002105  SOLV      492             0.0000000000
      2516       495  SWM4      H1              8.5488912601        6.8959713032      -12.7525827170  SOLV      492             0.0000000000
      2517       495  SWM4      H2              9.5224403499        5.7423317982      -12.8675409739  SOLV      492             0.0000000000
      2518       496  SWM4      OH2             5.2068605947        9.0991820355      -14.9228324058  SOLV      493             0.0000000000
      2519       496  SWM4      DOH2            5.2159830593        9.0441114821      -14.8932752605  SOLV      493             0.0000000000
      2520       496  SWM4      OM              5.0156088951        9.2435405862      -14.9415160576  SOLV      493             0.0000000000
      2521       496  SWM4      H1              5.1621212783       10.0384904009      -14.7441322203  SOLV      493             0.0000000000
      2522       496  SWM4      H2              4.3191803912        8.8636725130      -15.1926215107  SOLV      493             0.0000000000
      2523       497  SWM4      OH2             6.0150606372        3.8808420258       -6.2497324528  SOLV      494             0.0000000000
      2524       497  SWM4      DOH2            6.1557931607        3.9045097272       -6.2370404897  SOLV      494             0.0000000000
      2525       497  SWM4      OM              5.8772894362        3.7306571201       -6.3771267073  SOLV      494             0.0000000000
      2526       497  SWM4      H1              5.7860430211        3.9400923299       -7.1772311963  SOLV      494             0.0000000000
      2527       497  SWM4      H2              5.5724001110        3.0893920539       -5.9433213519  SOLV      494             0.0000000000
      2528       498  SWM4      OH2             4.1407105911       14.2443319734        2.1950775576  SOLV      495             0.0000000000
      2529       498  SWM4      DOH2            4.2873030177       14.3410196975        2.1674227442  SOLV      495             0.0000000000
      2530       498  SWM4      OM              4.0118540953       14.1180374945        2.0362967446  SOLV      495             0.0000000000
      2531       498  SWM4      H1              4.2847615616       13.3424013657        1.9087463267  SOLV      495             0.0000000000
      2532       498  SWM4      H2              3.3684486463       14.5305416617        1.7073086538  SOLV      495             0.0000000000
      2533       499  SWM4      OH2             8.4820806021       14.5879020411      -15.6724624842  SOLV      496             0.0000000000
      2534       499  SWM4      DOH2            8.5125432718       14.6521923877      -15.7284037310  SOLV      496             0.0000000000
      2535       499  SWM4      OM              8.6292152010       14.4006819861      -15.7051081104  SOLV      496             0.0000000000
      2536       499  SWM4      H1              8.5464901909       13.7938627854      -15.1418218132  SOLV      496             0.0000000000
      2537       499  SWM4      H2              9.1350010474       14.4691816881      -16.3622614669  SOLV      496             0.0000000000
      2538       500  SWM4      OH2            10.7963205767       14.2141420263        1.6277175694  SOLV      497             0.0000000000
      2539       500  SWM4      DOH2           10.7538201098       14.2255085761        1.6184470458  SOLV      497             0.0000000000
      2540       500  SWM4      OM             10.7600562625       14.0766718876        1.4339327733  SOLV      497             0.0000000000
      2541       500  SWM4      H1             10.4677004358       14.4849531125        0.7704575029  SOLV      497             0.0000000000
      2542       500  SWM4      H2             10.9481411198       13.2731224282        1.5402178726  SOLV      497             0.0000000000
      2543       501  SWM4      OH2            13.8344205980       15.6350719881      -15.9366623974  SOLV      498             0.0000000000
      2544       501  SWM4      DOH2           13.8148331560       15.6372433042      -15.9453197369  SOLV      498             0.0000000000
      2545       501  SWM4      OM             13.7369847373       15.4822265930      -15.7788328968  SOLV      498             0.0000000000
      2546       501  SWM4      H1             13.5658302136       15.8152819057      -15.0357731145  SOLV      498             0.0000000000
      2547       501  SWM4      H2             13.6279797850       14.7096912949      -16.0680819613  SOLV      498             0.0000000000
      2548       502  SWM4      OH2             4.9733605899       11.4446620042        1.6150075506  SOLV      499             0.0000000000
      2549       502  SWM4      DOH2            4.9114967277       11.4323033830        1.7039727648  SOLV      499             0.0000000000
      2550       502  SWM4      OM              5.0036932826       11.2717068602        1.7791176219  SOLV      499             0.0000000000
      2551       502  SWM4      H1              5.3814803856       10.5873209576        1.4940682479  SOLV      499             0.0000000000
      2552       502  SWM4      H2              4.7131225642       11.4587918153        2.5360346344  SOLV      499             0.0000000000
      2553       503  SWM4      OH2             9.6314606402       12.5605219435      -13.3666624889  SOLV      500             0.0000000000
      2554       503  SWM4      DOH2            9.7126362262       12.5522783335      -13.2390890911  SOLV      500             0.0000000000
      2555       503  SWM4      OM              9.5894269009       12.3241028617      -13.3564270911  SOLV      500             0.0000000000
      2556       503  SWM4      H1              9.1716608433       12.0763522118      -12.6808125974  SOLV      500             0.0000000000
      2557       503  SWM4      H2              9.8863312876       11.8920621345      -14.0026113510  SOLV      500             0.0000000000
      2558       504  SWM4      OH2             8.9203906038       10.4532320329       -1.0107024367  SOLV      501             0.0000000000
      2559       504  SWM4      DOH2            8.8771703236       10.5131968872       -1.0260338202  SOLV      501             0.0000000000
      2560       504  SWM4      OM              8.8641344628       10.6575342141       -1.1241111944  SOLV      501             0.0000000000
      2561       504  SWM4      H1              8.3020018360       11.1278919882       -0.7302325306  SOLV      501             0.0000000000
      2562       504  SWM4      H2              9.2645095491       10.7746227489       -1.8440831002  SOLV      501             0.0000000000
      2563       505  SWM4      OH2            10.7025005215       10.8037020479      -15.1043424380  SOLV      502             0.0000000000
      2564       505  SWM4      DOH2           10.5907627077       10.8365783208      -15.0182511254  SOLV      502             0.0000000000
      2565       505  SWM4      OM             10.8603470495       10.7940596385      -15.2853320494  SOLV      502             0.0000000000
      2566       505  SWM4      H1             10.5220003244       10.6488213954      -16.0315120522  SOLV      502             0.0000000000
      2567       505  SWM4      H2             11.6525502447       10.9115732927      -15.0595525927  SOLV      502             0.0000000000
      2568       506  SWM4      OH2            13.9402105133       12.9247620659        2.2667775563  SOLV      503             0.0000000000
      2569       506  SWM4      DOH2           13.8657662452       12.8898352230        2.2716761690  SOLV      503             0.0000000000
      2570       506  SWM4      OM             14.1027804014       12.7959686971        2.3882233554  SOLV      503             0.0000000000
      2571       506  SWM4      H1             14.8933302987       13.0086717043        2.2393766142  SOLV      503             0.0000000000
      2572       506  SWM4      H2             13.7796714686       12.2129432202        2.8862658636  SOLV      503             0.0000000000
      2573       507  SWM4      OH2             9.6723306404        6.1778920182       -2.4356524381  SOLV      504             0.0000000000
      2574       507  SWM4      DOH2            9.6595572168        6.1859630006       -2.3917685185  SOLV      504             0.0000000000
      2575       507  SWM4      OM              9.6074553630        6.2483791784       -2.6560803445  SOLV      504             0.0000000000
      2576       507  SWM4      H1             10.2080805380        6.6295606102       -3.0877232897  SOLV      504             0.0000000000
      2577       507  SWM4      H2              8.8202927182        6.0698716904       -2.8582420058  SOLV      504             0.0000000000
      2578       508  SWM4      OH2            11.2541706204       11.6175120455       -2.1961324436  SOLV      505             0.0000000000
      2579       508  SWM4      DOH2           11.2473885657       11.6493028253       -2.2120841971  SOLV      505             0.0000000000
      2580       508  SWM4      OM             11.3385367322       11.7601512014       -2.3702073586  SOLV      505             0.0000000000
      2581       508  SWM4      H1             12.0046500574       11.4612624349       -2.7693528246  SOLV      505             0.0000000000
      2582       508  SWM4      H2             10.9150027952       12.4691721724       -2.4715813309  SOLV      505             0.0000000000
      2583       509  SWM4      OH2             7.7383905944        9.0066620434        1.9831675645  SOLV      506             0.0000000000
      2584       509  SWM4      DOH2            7.7921742528        9.0170761088        2.1094229801  SOLV      506             0.0000000000
      2585       509  SWM4      OM              7.7202996707        8.8338570940        1.8171047291  SOLV      506             0.0000000000
      2586       509  SWM4      H1              6.9712901155        8.4741435650        1.7729271665  SOLV      506             0.0000000000
      2587       509  SWM4      H2              8.4172924266        8.6967025606        1.3837997643  SOLV      506             0.0000000000
      2588       510  SWM4      OH2            10.4778806178        3.6344620230       -2.0042924597  SOLV      507             0.0000000000
      2589       510  SWM4      DOH2           10.5246485404        3.6530059505       -1.9244671303  SOLV      507             0.0000000000
      2590       510  SWM4      OM             10.3054990904        3.7521356828       -2.1234696992  SOLV      507             0.0000000000
      2591       510  SWM4      H1             10.3798435358        4.5807796543       -2.1096726857  SOLV      507             0.0000000000
      2592       510  SWM4      H2              9.7355017833        3.2618418835       -2.4799405474  SOLV      507             0.0000000000
      2593       511  SWM4      OH2            14.4575905838        7.0833520377        0.6348975571  SOLV      508             0.0000000000
      2594       511  SWM4      DOH2           14.4666720471        7.1218287486        0.5204731666  SOLV      508             0.0000000000
      2595       511  SWM4      OM             14.3273860039        6.9616531729        0.7961484165  SOLV      508             0.0000000000
      2596       511  SWM4      H1             13.5101310867        7.1153213795        0.7672270816  SOLV      508             0.0000000000
      2597       511  SWM4      H2             14.7702613154        6.4580617355        1.2887173687  SOLV      508             0.0000000000
      2598       512  SWM4      OH2             5.9186705895        6.9270420069        1.6876375605  SOLV      509             0.0000000000
      2599       512  SWM4      DOH2            5.9151862451        7.0112364809        1.7451973283  SOLV      509             0.0000000000
      2600       512  SWM4      OM              5.9392825408        6.6924365037        1.7356069092  SOLV      509             0.0000000000
      2601       512  SWM4      H1              6.1304115984        6.2206515589        1.0773876303  SOLV      509             0.0000000000
      2602       512  SWM4      H2              5.8074207559        6.4896431529        2.5317555755  SOLV      509             0.0000000000
      2603       513  SWM4      OH2             3.7670905953       12.6795420180       -5.2866724362  SOLV      510             0.0000000000
      2604       513  SWM4      DOH2            3.8934389149       12.6745990798       -5.2137827975  SOLV      510             0.0000000000
      2605       513  SWM4      OM              3.9790949616       12.6372616155       -5.3917066562  SOLV      510             0.0000000000
      2606       513  SWM4      H1              3.9513804340       12.5977125306       -6.2223795393  SOLV      510             0.0000000000
      2607       513  SWM4      H2              4.6163780631       12.5552435940       -4.8630350694  SOLV      510             0.0000000000
      2608       514  SWM4      OH2             3.3645706029        7.9500420401        0.8542075615  SOLV      511             0.0000000000
      2609       514  SWM4      DOH2            3.3604308780        8.0351943409        0.7893356368  SOLV      511             0.0000000000
      2610       514  SWM4      OM              3.4609616801        7.7711413371        0.9825390906  SOLV      511             0.0000000000
      2611       514  SWM4      H1              4.2840592523        7.8278725434        1.0905162793  SOLV      511             0.0000000000
      2612       514  SWM4      H2              2.9150196862        7.2000123298        1.2435566337  SOLV      511             0.0000000000
      2613       515  SWM4      OH2             4.5858206140        6.2622020070       -6.2545024470  SOLV      512             0.0000000000
      2614       515  SWM4      DOH2            4.6149303574        6.2407328819       -6.2230325946  SOLV      512             0.0000000000
      2615       515  SWM4      OM              4.7727741642        6.2467716068       -6.1042495530  SOLV      512             0.0000000000
      2616       515  SWM4      H1              5.0309799587        5.4704528158       -5.9525303647  SOLV      512             0.0000000000
      2617       515  SWM4      H2              5.0521225414        6.9787230235       -5.8239410560  SOLV      512             0.0000000000
      2618       516  SWM4      OH2             2.8898505706        9.2615020138       -5.1854824198  SOLV      513             0.0000000000
      2619       516  SWM4      DOH2            2.9393739900        9.3084290292       -5.2153589694  SOLV      513             0.0000000000
      2620       516  SWM4      OM              3.0650321828        9.3885478995       -5.2900599823  SOLV      513             0.0000000000
      2621       516  SWM4      H1              3.3818308524        9.0405538702       -5.9762831566  SOLV      513             0.0000000000
      2622       516  SWM4      H2              3.2519392995       10.1018418183       -4.9045324952  SOLV      513             0.0000000000
      2623       517  SWM4      OH2             3.2035005873        5.5194120023      -11.1312425093  SOLV      514             0.0000000000
      2624       517  SWM4      DOH2            3.2424513802        5.5454393019      -11.0802091516  SOLV      514             0.0000000000
      2625       517  SWM4      OM              3.1068566756        5.6615035051      -11.2992770005  SOLV      514             0.0000000000
      2626       517  SWM4      H1              2.2783433623        5.7280728076      -11.2606924710  SOLV      514             0.0000000000
      2627       517  SWM4      H2              3.6574900521        6.0034895272      -11.8210117464  SOLV      514             0.0000000000
      2628       518  SWM4      OH2             3.1670405811        4.2573120239       -2.7869924401  SOLV      515             0.0000000000
      2629       518  SWM4      DOH2            3.2380435212        4.2380636064       -2.8081663005  SOLV      515             0.0000000000
      2630       518  SWM4      OM              2.9398117158        4.3344486398       -2.7734774367  SOLV      515             0.0000000000
      2631       518  SWM4      H1              2.5020915819        4.0113417753       -2.1439025524  SOLV      515             0.0000000000
      2632       518  SWM4      H2              2.7241709197        4.8793491963       -3.3641919849  SOLV      515             0.0000000000
      2633       519  SWM4      OH2            13.3166705666        5.1303420223       -6.7781824456  SOLV      516             0.0000000000
      2634       519  SWM4      DOH2           13.4655435396        5.2353931325       -6.7886622335  SOLV      516             0.0000000000
      2635       519  SWM4      OM             13.2940259030        4.9019373283       -6.8494858828  SOLV      516             0.0000000000
      2636       519  SWM4      H1             12.6423513289        4.5009035474       -6.5226010187  SOLV      516             0.0000000000
      2637       519  SWM4      H2             13.8805895358        4.6462350152       -7.3813904619  SOLV      516             0.0000000000
      2638       520  SWM4      OH2             5.6434205746        3.7643720334       -8.9561924763  SOLV      517             0.0000000000
      2639       520  SWM4      DOH2            5.5892414554        3.8094042918       -8.9491938478  SOLV      517             0.0000000000
      2640       520  SWM4      OM              5.5928276642        3.5528382174       -9.0584639951  SOLV      517             0.0000000000
      2641       520  SWM4      H1              4.8664028228        3.5298619426       -9.4636007138  SOLV      517             0.0000000000
      2642       520  SWM4      H2              6.1737808333        2.9675820168       -8.9473932023  SOLV      517             0.0000000000
      2643       521  SWM4      OH2             4.4797605943        3.5621820314      -13.1525824504  SOLV      518             0.0000000000
      2644       521  SWM4      DOH2            4.4291655880        3.6255732898      -13.2181572890  SOLV      518             0.0000000000
      2645       521  SWM4      OM              4.4398264247        3.7979543709      -13.1767142029  SOLV      518             0.0000000000
      2646       521  SWM4      H1              4.9188275019        4.1732316334      -13.7442317425  SOLV      518             0.0000000000
      2647       521  SWM4      H2              3.8460027690        4.1005916947      -12.6785825077  SOLV      518             0.0000000000
      2648       522  SWM4      OH2            10.2226805516        3.6910820181       -9.1428823969  SOLV      519             0.0000000000
      2649       522  SWM4      DOH2           10.1509541338        3.6957452380       -9.1082497992  SOLV      519             0.0000000000
      2650       522  SWM4      OM             10.3741432986        3.7266108185       -8.9596819280  SOLV      519             0.0000000000
      2651       522  SWM4      H1             11.0970209762        4.0795136061       -9.1724519871  SOLV      519             0.0000000000
      2652       522  SWM4      H2             10.0867609365        3.4758631649       -8.2201614152  SOLV      519             0.0000000000
      2653       523  SWM4      OH2            15.7795205563        3.7210620289       -7.4937124093  SOLV      520             0.0000000000
      2654       523  SWM4      DOH2           15.7548624835        3.8457086561       -7.4706836023  SOLV      520             0.0000000000
      2655       523  SWM4      OM             15.7387188276        3.5543954673       -7.6620073178  SOLV      520             0.0000000000
      2656       523  SWM4      H1             15.8556798360        3.8162225633       -8.4431115456  SOLV      520             0.0000000000
      2657       523  SWM4      H2             15.5044400235        2.8133517706       -7.3648010589  SOLV      520             0.0000000000
      2658       524  SWM4      OH2             6.3406705717        5.4783320479      -14.7101724923  SOLV      521             0.0000000000
      2659       524  SWM4      DOH2            6.2821856607        5.5677836192      -14.7089581865  SOLV      521             0.0000000000
      2660       524  SWM4      OM              6.5693688844        5.4098603173      -14.6823440844  SOLV      521             0.0000000000
      2661       524  SWM4      H1              6.8320103494        4.8485729224      -15.2376212875  SOLV      521             0.0000000000
      2662       524  SWM4      H2              6.9643000470        5.7742723318      -14.0470525138  SOLV      521             0.0000000000
      2663       525  SWM4      OH2            11.3666806279        5.7714820321      -12.2531224333  SOLV      522             0.0000000000
      2664       525  SWM4      DOH2           11.3462087348        5.7363821460      -12.2631388437  SOLV      522             0.0000000000
      2665       525  SWM4      OM             11.3922688147        5.8098571299      -12.0172447908  SOLV      522             0.0000000000
      2666       525  SWM4      H1             11.5448106882        5.1248014315      -11.5702627497  SOLV      522             0.0000000000
      2667       525  SWM4      H2             11.3133003206        6.6052516776      -11.7860139269  SOLV      522             0.0000000000
      2668       526  SWM4      OH2             5.6012205886        4.2785619989        0.5614275611  SOLV      523             0.0000000000
      2669       526  SWM4      DOH2            5.5646802497        4.2353702812        0.5817856196  SOLV      523             0.0000000000
      2670       526  SWM4      OM              5.7133507702        4.1274498973        0.7109521712  SOLV      523             0.0000000000
      2671       526  SWM4      H1              5.2350409530        3.5128227086        1.0038967778  SOLV      523             0.0000000000
      2672       526  SWM4      H2              6.5140702600        4.3075819980        0.8479379298  SOLV      523             0.0000000000
      2673       527  SWM4      OH2             7.5743006015        3.6290020143        2.0971375646  SOLV      524             0.0000000000
      2674       527  SWM4      DOH2            7.5419565136        3.6235472938        2.2364070451  SOLV      524             0.0000000000
      2675       527  SWM4      OM              7.6792524472        3.4205272395        2.1544877046  SOLV      524             0.0000000000
      2676       527  SWM4      H1              8.4726628111        3.3550202554        1.9124784313  SOLV      524             0.0000000000
      2677       527  SWM4      H2              7.1876129746        2.8866026359        2.5613969210  SOLV      524             0.0000000000
      2678       528  SWM4      OH2            -4.1343193986       -5.9353980017        9.8585575266  SOLV      525             0.0000000000
      2679       528  SWM4      DOH2           -4.1270792025       -6.0637858897        9.7908564240  SOLV      525             0.0000000000
      2680       528  SWM4      OM             -4.2469530743       -5.7982875639        9.6964462642  SOLV      525             0.0000000000
      2681       528  SWM4      H1             -4.0452087679       -4.9915763684        9.7262669268  SOLV      525             0.0000000000
      2682       528  SWM4      H2             -4.7725585325       -6.2107577970        9.2004982897  SOLV      525             0.0000000000
      2683       529  SWM4      OH2            -5.2011894343       -6.6803279741       13.2773775733  SOLV      526             0.0000000000
      2684       529  SWM4      DOH2           -5.1242469785       -6.6613323491       13.3047910980  SOLV      526             0.0000000000
      2685       529  SWM4      OM             -5.2751533608       -6.9086058661       13.2638051619  SOLV      526             0.0000000000
      2686       529  SWM4      H1             -5.2394392733       -7.3266976536       13.9823377455  SOLV      526             0.0000000000
      2687       529  SWM4      H2             -5.5235377658       -7.1468874387       12.5062476092  SOLV      526             0.0000000000
      2688       530  SWM4      OH2           -12.8326893907       -7.0661179878       14.8703675234  SOLV      527             0.0000000000
      2689       530  SWM4      DOH2          -12.8595879797       -7.0498335926       14.8710377180  SOLV      527             0.0000000000
      2690       530  SWM4      OM            -12.6800895232       -7.0664892225       15.0560523260  SOLV      527             0.0000000000
      2691       530  SWM4      H1            -12.7914805750       -7.6917876254       15.5936079443  SOLV      527             0.0000000000
      2692       530  SWM4      H2            -12.1299187322       -6.4422583846       15.0524071850  SOLV      527             0.0000000000
      2693       531  SWM4      OH2            -1.4951694153       -3.7412879747       11.5788875615  SOLV      528             0.0000000000
      2694       531  SWM4      DOH2           -1.4107503044       -3.7119721877       11.5582903756  SOLV      528             0.0000000000
      2695       531  SWM4      OM             -1.5882425105       -3.7412223007       11.8004796881  SOLV      528             0.0000000000
      2696       531  SWM4      H1             -1.9358994329       -4.4616876140       12.0294471569  SOLV      528             0.0000000000
      2697       531  SWM4      H2             -1.5081987567       -3.0205681357       12.2086561315  SOLV      528             0.0000000000
      2698       532  SWM4      OH2           -11.9093794244       -2.6162279826       13.4052774814  SOLV      529             0.0000000000
      2699       532  SWM4      DOH2          -11.9443367065       -2.5849914128       13.4417988243  SOLV      529             0.0000000000
      2700       532  SWM4      OM            -11.7921303296       -2.8152826633       13.3389786907  SOLV      529             0.0000000000
      2701       532  SWM4      H1            -12.2788592659       -3.4181765252       13.0357071295  SOLV      529             0.0000000000
      2702       532  SWM4      H2            -10.9682711190       -2.7847379016       13.4516182709  SOLV      529             0.0000000000
      2703       533  SWM4      OH2           -15.2993293602       -8.9559679679        8.7981575980  SOLV      530             0.0000000000
      2704       533  SWM4      DOH2          -15.3179481424       -8.9216604797        8.8016318548  SOLV      530             0.0000000000
      2705       533  SWM4      OM            -15.5061936117       -8.9013485814        8.6886602570  SOLV      530             0.0000000000
      2706       533  SWM4      H1            -15.7469904282       -8.1100975097        8.7798070915  SOLV      530             0.0000000000
      2707       533  SWM4      H2            -15.8602102686       -9.5355479851        8.2826669467  SOLV      530             0.0000000000
      2708       534  SWM4      OH2           -14.5887194288       -6.7940079554       10.9239575358  SOLV      531             0.0000000000
      2709       534  SWM4      DOH2          -14.6295703299       -6.8077168814       10.9413521202  SOLV      531             0.0000000000
      2710       534  SWM4      OM            -14.3936318498       -6.9335210760       10.9083807255  SOLV      531             0.0000000000
      2711       534  SWM4      H1            -14.3753692595       -7.5638461527       11.4512560206  SOLV      531             0.0000000000
      2712       534  SWM4      H2            -13.8509592614       -6.7043374556       10.3207167948  SOLV      531             0.0000000000
      2713       535  SWM4      OH2            -6.8117494331       -4.2481880078       13.6834776061  SOLV      532             0.0000000000
      2714       535  SWM4      DOH2           -6.8760555440       -4.2473282557       13.7551322910  SOLV      532             0.0000000000
      2715       535  SWM4      OM             -6.6014688030       -4.3644853659       13.6882381117  SOLV      532             0.0000000000
      2716       535  SWM4      H1             -6.5079597156       -4.9340475407       13.0888873202  SOLV      532             0.0000000000
      2717       535  SWM4      H2             -6.0903499927       -4.1293177741       14.3012772328  SOLV      532             0.0000000000
      2718       536  SWM4      OH2             1.8512305873      -12.6466579242       14.5440974737  SOLV      533             0.0000000000
      2719       536  SWM4      DOH2            1.7843545798      -12.6740051840       14.5652291754  SOLV      533             0.0000000000
      2720       536  SWM4      OM              1.9486040504      -12.4269378831       14.5467681739  SOLV      533             0.0000000000
      2721       536  SWM4      H1              1.9004496788      -12.0365382295       15.2800077287  SOLV      533             0.0000000000
      2722       536  SWM4      H2              2.2767396678      -12.1855678226       13.8212069891  SOLV      533             0.0000000000
      2723       537  SWM4      OH2            -3.6710494130       -9.8539479534       14.0109575717  SOLV      534             0.0000000000
      2724       537  SWM4      DOH2           -3.6447534356       -9.8812690722       14.0499705248  SOLV      534             0.0000000000
      2725       537  SWM4      OM             -3.6635647063      -10.0055929715       13.8246420448  SOLV      534             0.0000000000
      2726       537  SWM4      H1             -3.5284591699      -10.8002471593       14.0311181334  SOLV      534             0.0000000000
      2727       537  SWM4      H2             -3.7771492003       -9.6469673774       13.0824481892  SOLV      534             0.0000000000
      2728       538  SWM4      OH2           -10.5162194472      -11.7523079397       11.2834375442  SOLV      535             0.0000000000
      2729       538  SWM4      DOH2          -10.5542689413      -11.7457143499       11.3356935788  SOLV      535             0.0000000000
      2730       538  SWM4      OM            -10.6012344803      -11.6892727233       11.0676491428  SOLV      535             0.0000000000
      2731       538  SWM4      H1            -10.4731094865      -10.8924583992       10.8650678899  SOLV      535             0.0000000000
      2732       538  SWM4      H2            -10.9738095435      -12.3048370690       10.6497589256  SOLV      535             0.0000000000
      2733       539  SWM4      OH2            -2.7939494172      -11.6217479234        9.6842675232  SOLV      536             0.0000000000
      2734       539  SWM4      DOH2           -2.8165884753      -11.6236381569        9.6739735922  SOLV      536             0.0000000000
      2735       539  SWM4      OM             -2.5567592775      -11.5829360442        9.6846570852  SOLV      536             0.0000000000
      2736       539  SWM4      H1             -2.1475206386      -11.9504273945       10.3090261400  SOLV      536             0.0000000000
      2737       539  SWM4      H2             -2.2840101667      -11.1038494067        9.0614075606  SOLV      536             0.0000000000
      2738       540  SWM4      OH2           -13.8960693444       -9.3557279747       12.0455776369  SOLV      537             0.0000000000
      2739       540  SWM4      DOH2          -13.9440769420       -9.3378373042       12.1057273867  SOLV      537             0.0000000000
      2740       540  SWM4      OM            -13.7570853805       -9.5247285313       11.9461395350  SOLV      537             0.0000000000
      2741       540  SWM4      H1            -13.2424109894       -9.9055563755       12.4775880601  SOLV      537             0.0000000000
      2742       540  SWM4      H2            -13.8721396806       -9.6298265873       11.1287779261  SOLV      537             0.0000000000
      2743       541  SWM4      OH2            -8.7396194320       -7.8055979598       11.2607276130  SOLV      538             0.0000000000
      2744       541  SWM4      DOH2           -8.7779851654       -7.7736648663       11.2926950850  SOLV      538             0.0000000000
      2745       541  SWM4      OM             -8.7334703280       -8.0448829415       11.2824204426  SOLV      538             0.0000000000
      2746       541  SWM4      H1             -8.1235217003       -8.3320571783       11.7701267180  SOLV      538             0.0000000000
      2747       541  SWM4      H2             -9.3257388998       -8.4457259976       10.8570880959  SOLV      538             0.0000000000
      2748       542  SWM4      OH2           -11.7060294833      -12.8344679420       15.3575176134  SOLV      539             0.0000000000
      2749       542  SWM4      DOH2          -11.7414982456      -12.8051603866       15.3994349111  SOLV      539             0.0000000000
      2750       542  SWM4      OM            -11.8879146752      -12.6792746091       15.3330555587  SOLV      539             0.0000000000
      2751       542  SWM4      H1            -11.9248603644      -12.3044086474       14.5911193701  SOLV      539             0.0000000000
      2752       542  SWM4      H2            -12.3739388895      -12.6079174351       16.0046574495  SOLV      539             0.0000000000
      2753       543  SWM4      OH2            -4.3370494224       -3.3343579782        8.9014275011  SOLV      540             0.0000000000
      2754       543  SWM4      DOH2           -4.2104966980       -3.4021535184        8.9276323044  SOLV      540             0.0000000000
      2755       543  SWM4      OM             -4.4641599841       -3.2160281759        8.7352752264  SOLV      540             0.0000000000
      2756       543  SWM4      H1             -4.6325379679       -3.6571297970        8.0501171517  SOLV      540             0.0000000000
      2757       543  SWM4      H2             -4.6612686830       -2.4346876079        8.9426871990  SOLV      540             0.0000000000
      2758       544  SWM4      OH2            -9.1368893705       -5.1588979614       15.6448875621  SOLV      541             0.0000000000
      2759       544  SWM4      DOH2           -9.1962764474       -5.2681508930       15.6659359176  SOLV      541             0.0000000000
      2760       544  SWM4      OM             -9.1422510779       -4.9225847902       15.6013789212  SOLV      541             0.0000000000
      2761       544  SWM4      H1             -9.8769787236       -4.5607488332       15.7484078724  SOLV      541             0.0000000000
      2762       544  SWM4      H2             -8.4229398041       -4.6049386364       15.3292476181  SOLV      541             0.0000000000
      2763       545  SWM4      OH2            -1.0301094074      -12.3308180412       11.6648576048  SOLV      542             0.0000000000
      2764       545  SWM4      DOH2           -1.0127064517      -12.3596051189       11.5998061115  SOLV      542             0.0000000000
      2765       545  SWM4      OM             -0.9397478315      -12.3909575912       11.8792955236  SOLV      542             0.0000000000
      2766       545  SWM4      H1             -1.2453092754      -13.0964768543       12.1974567138  SOLV      542             0.0000000000
      2767       545  SWM4      H2             -0.3743701414      -11.8583576636       12.1777070554  SOLV      542             0.0000000000
      2768       546  SWM4      OH2           -12.1122994433      -10.9422879715       13.3097375591  SOLV      543             0.0000000000
      2769       546  SWM4      DOH2          -12.2090459737      -10.8761116825       13.3008047828  SOLV      543             0.0000000000
      2770       546  SWM4      OM            -11.8814012985      -10.9094160678       13.2516754856  SOLV      543             0.0000000000
      2771       546  SWM4      H1            -11.4986706511      -10.3095277353       13.6829766327  SOLV      543             0.0000000000
      2772       546  SWM4      H2            -11.6002303015      -11.4147875648       12.6534281658  SOLV      543             0.0000000000
      2773       547  SWM4      OH2           -14.6083693546       -3.5238079582        7.2139675279  SOLV      544             0.0000000000
      2774       547  SWM4      DOH2          -14.6408377625       -3.5700026649        7.1553850734  SOLV      544             0.0000000000
      2775       547  SWM4      OM            -14.6547952661       -3.3049543470        7.1261416105  SOLV      544             0.0000000000
      2776       547  SWM4      H1            -14.8802787068       -3.2947074193        6.3252577544  SOLV      544             0.0000000000
      2777       547  SWM4      H2            -14.5628006880       -2.6859273449        7.6744979140  SOLV      544             0.0000000000
      2778       548  SWM4      OH2            -0.9833994067       -1.9022179743       13.9268175615  SOLV      545             0.0000000000
      2779       548  SWM4      DOH2           -0.8960006447       -1.9703444432       13.9215081551  SOLV      545             0.0000000000
      2780       548  SWM4      OM             -1.1198054225       -1.7043960901       13.9318755897  SOLV      545             0.0000000000
      2781       548  SWM4      H1             -1.9250282384       -1.8438289411       14.0885072738  SOLV      545             0.0000000000
      2782       548  SWM4      H2             -0.7067884418       -0.9961692276       13.7897870355  SOLV      545             0.0000000000
      2783       549  SWM4      OH2            -0.6826994124      -13.6156880284       15.3442075293  SOLV      546             0.0000000000
      2784       549  SWM4      DOH2           -0.6607071296      -13.5711073603       15.3149093688  SOLV      546             0.0000000000
      2785       549  SWM4      OM             -0.6935049273      -13.4053193345       15.2284751577  SOLV      546             0.0000000000
      2786       549  SWM4      H1             -1.4187787274      -13.0049772513       15.3063368327  SOLV      546             0.0000000000
      2787       549  SWM4      H2              0.0006996639      -13.2007873458       14.8178470572  SOLV      546             0.0000000000
      2788       550  SWM4      OH2            -2.7312794121       -0.1208679710       10.5519775617  SOLV      547             0.0000000000
      2789       550  SWM4      DOH2           -2.6345244598       -0.0891657665       10.4708353244  SOLV      547             0.0000000000
      2790       550  SWM4      OM             -2.5790379778       -0.1015749042       10.3670018696  SOLV      547             0.0000000000
      2791       550  SWM4      H1             -2.3060492400       -0.8280771352       10.0669380884  SOLV      547             0.0000000000
      2792       550  SWM4      H2             -2.4142805433        0.6804015964       10.1351970899  SOLV      547             0.0000000000
      2793       551  SWM4      OH2            -1.5716294150       -2.2200179774        9.0606375625  SOLV      548             0.0000000000
      2794       551  SWM4      DOH2           -1.4949717429       -2.1644667480        9.0777323132  SOLV      548             0.0000000000
      2795       551  SWM4      OM             -1.6098708047       -2.4523883314        9.1086717806  SOLV      548             0.0000000000
      2796       551  SWM4      H1             -1.8291473386       -2.9100081597        8.4492284399  SOLV      548             0.0000000000
      2797       551  SWM4      H2             -1.5005484669       -2.6628986009        9.9062270486  SOLV      548             0.0000000000
      2798       552  SWM4      OH2            -5.4130694119       -6.6913979670        7.3105875442  SOLV      549             0.0000000000
      2799       552  SWM4      DOH2           -5.3438903899       -6.7845312955        7.3177897883  SOLV      549             0.0000000000
      2800       552  SWM4      OM             -5.4172722238       -6.5703428791        7.1029974249  SOLV      549             0.0000000000
      2801       552  SWM4      H1             -6.1245206080       -6.1564296061        6.9586384276  SOLV      549             0.0000000000
      2802       552  SWM4      H2             -4.7221080961       -6.6361891343        6.6504760917  SOLV      549             0.0000000000
      2803       553  SWM4      OH2             1.9563205871       -7.3135479673       15.6040275253  SOLV      550             0.0000000000
      2804       553  SWM4      DOH2            1.9115825053       -7.3680869006       15.5261729415  SOLV      550             0.0000000000
      2805       553  SWM4      OM              1.9178499548       -7.1279933094       15.4561927446  SOLV      550             0.0000000000
      2806       553  SWM4      H1              1.3037315061       -6.6189882241       15.6931179403  SOLV      550             0.0000000000
      2807       553  SWM4      H2              2.4213512436       -7.1034597562       14.7941869936  SOLV      550             0.0000000000
      2808       554  SWM4      OH2            -2.0072994196       -6.4820679731        8.2621775783  SOLV      551             0.0000000000
      2809       554  SWM4      DOH2           -1.9282053011       -6.3568858922        8.0984906516  SOLV      551             0.0000000000
      2810       554  SWM4      OM             -2.0656915895       -6.5816228586        8.4729970093  SOLV      551             0.0000000000
      2811       554  SWM4      H1             -2.7391991460       -6.2536969237        8.8352347299  SOLV      551             0.0000000000
      2812       554  SWM4      H2             -1.5600783123       -7.1957978065        8.7169257110  SOLV      551             0.0000000000
      2813       555  SWM4      OH2           -10.3619293674       -5.8514479479       10.1446775561  SOLV      552             0.0000000000
      2814       555  SWM4      DOH2          -10.3804557960       -5.7771941918       10.1575299048  SOLV      552             0.0000000000
      2815       555  SWM4      OM            -10.3090244036       -6.0650244483       10.0479726725  SOLV      552             0.0000000000
      2816       555  SWM4      H1            -10.6924087070       -6.2221063635        9.3263787560  SOLV      552             0.0000000000
      2817       555  SWM4      H2             -9.7735197831       -6.5220475406       10.4915069992  SOLV      552             0.0000000000
      2818       556  SWM4      OH2            -8.9951794849       -2.4233879828       12.8258975501  SOLV      553             0.0000000000
      2819       556  SWM4      DOH2           -9.0293655166       -2.4248351175       12.8436290602  SOLV      553             0.0000000000
      2820       556  SWM4      OM             -8.8650370901       -2.6182699393       12.7725149668  SOLV      553             0.0000000000
      2821       556  SWM4      H1             -9.0900494068       -3.0020767790       12.0693571318  SOLV      553             0.0000000000
      2822       556  SWM4      H2             -8.2658202409       -2.7948171673       13.3221791731  SOLV      553             0.0000000000
      2823       557  SWM4      OH2            -9.9953794094       -7.0828879782       13.7781775633  SOLV      554             0.0000000000
      2824       557  SWM4      DOH2          -10.0773343096       -7.1951305992       13.8412501597  SOLV      554             0.0000000000
      2825       557  SWM4      OM             -9.8140311051       -6.9272239958       13.7527374905  SOLV      554             0.0000000000
      2826       557  SWM4      H1             -9.4301290877       -6.9614681997       13.0152979406  SOLV      554             0.0000000000
      2827       557  SWM4      H2             -9.6764901929       -6.4453889113       14.4170275684  SOLV      554             0.0000000000
      2828       558  SWM4      OH2            -3.6861594092       -1.5796979675       14.5122275231  SOLV      555             0.0000000000
      2829       558  SWM4      DOH2           -3.6575022318       -1.5478049987       14.4691403862  SOLV      555             0.0000000000
      2830       558  SWM4      OM             -3.7761065186       -1.6150124326       14.7322914587  SOLV      555             0.0000000000
      2831       558  SWM4      H1             -3.9265003993       -0.9173873155       15.1601467941  SOLV      555             0.0000000000
      2832       558  SWM4      H2             -3.8843382484       -2.4141772186       14.9371872416  SOLV      555             0.0000000000
      2833       559  SWM4      OH2            -5.4098594010       -0.5829279686        9.3826075511  SOLV      556             0.0000000000
      2834       559  SWM4      DOH2           -5.4066256851       -0.5545484393        9.3437358718  SOLV      556             0.0000000000
      2835       559  SWM4      OM             -5.4281780458       -0.3708846966        9.4942666761  SOLV      556             0.0000000000
      2836       559  SWM4      H1             -4.9361002558       -0.2872983889       10.1600264820  SOLV      556             0.0000000000
      2837       559  SWM4      H2             -5.9729285674        0.1552309012        9.1495674986  SOLV      556             0.0000000000
      2838       560  SWM4      OH2           -11.3716593476       -6.7820180153        7.7339575579  SOLV      557             0.0000000000
      2839       560  SWM4      DOH2          -11.4058800169       -6.8884857010        7.7239041226  SOLV      557             0.0000000000
      2840       560  SWM4      OM            -11.5698710735       -6.7597034997        7.5998682934  SOLV      557             0.0000000000
      2841       560  SWM4      H1            -11.6635297820       -6.0138469616        7.2430855796  SOLV      557             0.0000000000
      2842       560  SWM4      H2            -12.0461394187       -7.4413982552        7.5710974149  SOLV      557             0.0000000000
      2843       561  SWM4      OH2             1.7516305811       -1.2034979662        4.1366575504  SOLV      558             0.0000000000
      2844       561  SWM4      DOH2            1.6834286934       -1.2293847867        4.1343417780  SOLV      558             0.0000000000
      2845       561  SWM4      OM              1.9524086819       -1.0734803277        4.1600936684  SOLV      558             0.0000000000
      2846       561  SWM4      H1              1.8249806154       -0.2644810312        4.3071870071  SOLV      558             0.0000000000
      2847       561  SWM4      H2              2.6571385843       -1.5086370099        4.0803863640  SOLV      558             0.0000000000
      2848       562  SWM4      OH2           -15.5283793932       -1.6387179636       13.4329575075  SOLV      559             0.0000000000
      2849       562  SWM4      DOH2          -15.5176315700       -1.6300304191       13.4264483846  SOLV      559             0.0000000000
      2850       562  SWM4      OM            -15.3573767653       -1.5074482465       13.5392215717  SOLV      559             0.0000000000
      2851       562  SWM4      H1            -14.5823197526       -1.7830173365       13.4139073352  SOLV      559             0.0000000000
      2852       562  SWM4      H2            -15.6407486084       -0.8544383948       13.9700769418  SOLV      559             0.0000000000
      2853       563  SWM4      OH2            -5.9375494120        2.3735420301        7.7975275866  SOLV      560             0.0000000000
      2854       563  SWM4      DOH2           -5.8527485044        2.3446574323        7.8669031512  SOLV      560             0.0000000000
      2855       563  SWM4      OM             -5.9462734111        2.5433766284        7.6276870704  SOLV      560             0.0000000000
      2856       563  SWM4      H1             -6.0129514982        2.2522622116        6.8510479736  SOLV      560             0.0000000000
      2857       563  SWM4      H2             -5.9046796698        3.3228123650        7.9159883926  SOLV      560             0.0000000000
      2858       564  SWM4      OH2           -12.2841693989        1.1622420343        9.5784275755  SOLV      561             0.0000000000
      2859       564  SWM4      DOH2          -12.2967368735        1.2558084238        9.5083926893  SOLV      561             0.0000000000
      2860       564  SWM4      OM            -12.4275282477        1.0177942319        9.7062898272  SOLV      561             0.0000000000
      2861       564  SWM4      H1            -12.1321289594        0.8142830441       10.4570763704  SOLV      561             0.0000000000
      2862       564  SWM4      H2            -13.1351283710        0.8059736647        9.3231467229  SOLV      561             0.0000000000
      2863       565  SWM4      OH2            -2.8359494184        1.5275620279        4.7997675814  SOLV      562             0.0000000000
      2864       565  SWM4      DOH2           -2.9359974601        1.4917469587        4.7666671292  SOLV      562             0.0000000000
      2865       565  SWM4      OM             -2.7581674105        1.3195069037        4.8915755208  SOLV      562             0.0000000000
      2866       565  SWM4      H1             -2.4611100240        0.7831742098        4.3290297100  SOLV      562             0.0000000000
      2867       565  SWM4      H2             -2.8315790724        1.2576209967        5.7180960764  SOLV      562             0.0000000000
      2868       566  SWM4      OH2            -3.1671394024        1.4532720325        7.5489876013  SOLV      563             0.0000000000
      2869       566  SWM4      DOH2           -3.0495621410        1.5030125634        7.5089405441  SOLV      563             0.0000000000
      2870       566  SWM4      OM             -3.3014544195        1.3283139556        7.7042635139  SOLV      563             0.0000000000
      2871       566  SWM4      H1             -4.1021569811        1.5534623386        7.7276858917  SOLV      563             0.0000000000
      2872       566  SWM4      H2             -2.8869480259        0.7438729810        8.1273070230  SOLV      563             0.0000000000
      2873       567  SWM4      OH2            -1.6590394062       -6.2869479606        3.5770875585  SOLV      564             0.0000000000
      2874       567  SWM4      DOH2           -1.5243365946       -6.3116410820        3.6298975893  SOLV      564             0.0000000000
      2875       567  SWM4      OM             -1.4762230639       -6.2508274055        3.4253009867  SOLV      564             0.0000000000
      2876       567  SWM4      H1             -1.6169574702       -6.5095583211        2.6470877466  SOLV      564             0.0000000000
      2877       567  SWM4      H2             -0.8098298964       -5.8882376378        3.7670766252  SOLV      564             0.0000000000
      2878       568  SWM4      OH2            -6.0862893823      -12.4111279027        4.2474175676  SOLV      565             0.0000000000
      2879       568  SWM4      DOH2           -6.0163279532      -12.3029555656        4.2026220945  SOLV      565             0.0000000000
      2880       568  SWM4      OM             -6.1909620732      -12.5859481298        4.3748823647  SOLV      565             0.0000000000
      2881       568  SWM4      H1             -6.3398092195      -12.3919664566        5.1702268402  SOLV      565             0.0000000000
      2882       568  SWM4      H2             -6.3430784130      -13.2825869380        3.9460351262  SOLV      565             0.0000000000
      2883       569  SWM4      OH2           -10.3197894011       -9.6600579460       14.6826575594  SOLV      566             0.0000000000
      2884       569  SWM4      DOH2          -10.3695004597       -9.6378727454       14.6988483196  SOLV      566             0.0000000000
      2885       569  SWM4      OM            -10.4438001467       -9.4782851568       14.7793304559  SOLV      566             0.0000000000
      2886       569  SWM4      H1            -10.9615793773       -9.7003281624       15.3916667744  SOLV      566             0.0000000000
      2887       569  SWM4      H2            -10.2825899981       -8.7335895519       14.4449584718  SOLV      566             0.0000000000
      2888       570  SWM4      OH2           -10.3228794521       -9.4390479802        9.5946575107  SOLV      567             0.0000000000
      2889       570  SWM4      DOH2          -10.3151816824       -9.4313279537        9.6005278566  SOLV      567             0.0000000000
      2890       570  SWM4      OM            -10.4135504066       -9.5861771901        9.4276324310  SOLV      567             0.0000000000
      2891       570  SWM4      H1            -11.2155881930       -9.7794384864        9.5360384692  SOLV      567             0.0000000000
      2892       570  SWM4      H2             -9.8722194829       -9.8159574533        8.8389780163  SOLV      567             0.0000000000
      2893       571  SWM4      OH2            -4.7873293707       -9.0230179284        8.4117375663  SOLV      568             0.0000000000
      2894       571  SWM4      DOH2           -4.7643671212       -9.0871844680        8.4388203590  SOLV      568             0.0000000000
      2895       571  SWM4      OM             -4.7234064437       -8.8845949479        8.2259458219  SOLV      568             0.0000000000
      2896       571  SWM4      H1             -5.1962986507       -8.2081591871        8.1202159089  SOLV      568             0.0000000000
      2897       571  SWM4      H2             -4.0667089845       -9.1630074831        7.7974478629  SOLV      568             0.0000000000
      2898       572  SWM4      OH2            -3.7825594147       -9.5769780447       11.2257075930  SOLV      569             0.0000000000
      2899       572  SWM4      DOH2           -3.7364315006       -9.5857755538       11.3200257262  SOLV      569             0.0000000000
      2900       572  SWM4      OM             -3.7854903563       -9.6237031216       10.9899664648  SOLV      569             0.0000000000
      2901       572  SWM4      H1             -3.9781082628       -8.9712983077       10.5107674342  SOLV      569             0.0000000000
      2902       572  SWM4      H2             -3.6012996424      -10.4104570129       10.7913397323  SOLV      569             0.0000000000
      2903       573  SWM4      OH2            -9.2039993635      -11.9654778914        3.3484575690  SOLV      570             0.0000000000
      2904       573  SWM4      DOH2           -9.1022036614      -11.8879817209        3.4382267354  SOLV      570             0.0000000000
      2905       573  SWM4      OM             -9.4396883784      -11.9805250270        3.3930671957  SOLV      570             0.0000000000
      2906       573  SWM4      H1             -9.6349278216      -12.4104673658        4.0781947028  SOLV      570             0.0000000000
      2907       573  SWM4      H2             -9.9221283809      -11.5938469965        2.8362056121  SOLV      570             0.0000000000
      2908       574  SWM4      OH2           -15.9616594352      -12.2235280077       10.4003275066  SOLV      571             0.0000000000
      2909       574  SWM4      DOH2          -15.9743296766      -12.2300684722       10.3489871001  SOLV      571             0.0000000000
      2910       574  SWM4      OM            -15.7400927305      -12.3166342838       10.3980673578  SOLV      571             0.0000000000
      2911       574  SWM4      H1            -15.3308894893      -12.2523175418       11.1197174190  SOLV      571             0.0000000000
      2912       574  SWM4      H2            -15.5122299047      -12.6486578441        9.6699184237  SOLV      571             0.0000000000
      2913       575  SWM4      OH2           -14.6874494386      -11.4773279812        5.8243675232  SOLV      572             0.0000000000
      2914       575  SWM4      DOH2          -14.6963452653      -11.5176465842        5.8416017135  SOLV      572             0.0000000000
      2915       575  SWM4      OM            -14.7373314620      -11.2473359544        5.7755707632  SOLV      572             0.0000000000
      2916       575  SWM4      H1            -14.2132786544      -10.8863374183        5.2394573721  SOLV      572             0.0000000000
      2917       575  SWM4      H2            -15.4048104170      -10.9470379336        6.1713785823  SOLV      572             0.0000000000
      2918       576  SWM4      OH2            -4.5186394072       -7.9388479929       15.8969475565  SOLV      573             0.0000000000
      2919       576  SWM4      DOH2           -4.4365280270       -7.8665335021       15.8604702442  SOLV      573             0.0000000000
      2920       576  SWM4      OM             -4.5425535969       -8.1779723309       15.9005964314  SOLV      573             0.0000000000
      2921       576  SWM4      H1             -4.1951586995       -8.5698757903       15.2539958931  SOLV      573             0.0000000000
      2922       576  SWM4      H2             -4.9587092536       -8.4736274914       16.5576884710  SOLV      573             0.0000000000
      2923       577  SWM4      OH2            -7.7413494229      -12.0112979388       10.6810675590  SOLV      574             0.0000000000
      2924       577  SWM4      DOH2           -7.7155081683      -12.0544258607       10.6171301206  SOLV      574             0.0000000000
      2925       577  SWM4      OM             -7.8245433168      -12.0120712051       10.9065533794  SOLV      574             0.0000000000
      2926       577  SWM4      H1             -8.6522376678      -11.9546172865       10.9696669245  SOLV      574             0.0000000000
      2927       577  SWM4      H2             -7.2360591916      -12.0717481385       11.4917874251  SOLV      574             0.0000000000
      2928       578  SWM4      OH2           -12.9130094394      -10.3826679306        9.5078275446  SOLV      575             0.0000000000
      2929       578  SWM4      DOH2          -12.8065753177      -10.3171967731        9.5141215866  SOLV      575             0.0000000000
      2930       578  SWM4      OM            -13.0345823435      -10.5348931507        9.3670681992  SOLV      575             0.0000000000
      2931       578  SWM4      H1            -13.8022088818      -10.2831177819        9.1677883891  SOLV      575             0.0000000000
      2932       578  SWM4      H2            -12.6165184371      -11.2243660970        9.1616180154  SOLV      575             0.0000000000
      2933       579  SWM4      OH2            -9.2598294181      -10.3824079184        7.1642875866  SOLV      576             0.0000000000
      2934       579  SWM4      DOH2           -9.2576926072      -10.4220109569        7.2332562902  SOLV      576             0.0000000000
      2935       579  SWM4      OM             -9.1128487816      -10.2186386055        7.0676338030  SOLV      576             0.0000000000
      2936       579  SWM4      H1             -8.3282802672      -10.2534070257        7.3425968997  SOLV      576             0.0000000000
      2937       579  SWM4      H2             -9.4747984915       -9.7129775169        6.5147588445  SOLV      576             0.0000000000
      2938       580  SWM4      OH2            -3.3361594135      -12.7766680414       13.9452475464  SOLV      577             0.0000000000
      2939       580  SWM4      DOH2           -3.2320137669      -12.7406660519       13.9723785354  SOLV      577             0.0000000000
      2940       580  SWM4      OM             -3.5745749227      -12.7815373006       13.9152474745  SOLV      577             0.0000000000
      2941       580  SWM4      H1             -4.0129963503      -12.6453574196       14.6092164887  SOLV      577             0.0000000000
      2942       580  SWM4      H2             -3.8216677780      -12.9317182547       13.1350193923  SOLV      577             0.0000000000
      2943       581  SWM4      OH2           -10.5858093643       -9.1881879750        4.7308975895  SOLV      578             0.0000000000
      2944       581  SWM4      DOH2          -10.5828792344       -9.1443391566        4.6856424916  SOLV      578             0.0000000000
      2945       581  SWM4      OM            -10.5261203417       -9.2261654958        4.5012007639  SOLV      578             0.0000000000
      2946       581  SWM4      H1            -11.1282996953       -9.5678082406        4.0396577881  SOLV      578             0.0000000000
      2947       581  SWM4      H2             -9.7523193669       -8.9937179529        4.3023064139  SOLV      578             0.0000000000
      2948       582  SWM4      OH2            -6.4213794187       -9.2239979629       12.5680276066  SOLV      579             0.0000000000
      2949       582  SWM4      DOH2           -6.4347833820       -9.1551504328       12.6141245686  SOLV      579             0.0000000000
      2950       582  SWM4      OM             -6.3359111056       -9.4430929677       12.6176081464  SOLV      579             0.0000000000
      2951       582  SWM4      H1             -5.8570375851       -9.7703373344       12.0209880276  SOLV      579             0.0000000000
      2952       582  SWM4      H2             -6.5690394422       -9.7458065268       13.3567861522  SOLV      579             0.0000000000
      2953       583  SWM4      OH2           -11.4194094035      -13.0873879473        8.9865076223  SOLV      580             0.0000000000
      2954       583  SWM4      DOH2          -11.4294227728      -13.0243921285        9.0090693226  SOLV      580             0.0000000000
      2955       583  SWM4      OM            -11.3241631994      -13.2721394193        8.8658394836  SOLV      580             0.0000000000
      2956       583  SWM4      H1            -11.7364591193      -13.9898571193        8.9510472511  SOLV      580             0.0000000000
      2957       583  SWM4      H2            -10.6380001374      -13.0856484994        8.4336678410  SOLV      580             0.0000000000
      2958       584  SWM4      OH2            -7.7947894361      -10.8353879071       14.9820675714  SOLV      581             0.0000000000
      2959       584  SWM4      DOH2           -7.7500575779      -10.7149770813       14.9943999628  SOLV      581             0.0000000000
      2960       584  SWM4      OM             -7.8586638616      -10.6856957278       15.1589232032  SOLV      581             0.0000000000
      2961       584  SWM4      H1             -8.6302587125      -10.3814378731       15.0923082855  SOLV      581             0.0000000000
      2962       584  SWM4      H2             -7.2707296034      -10.5595375494       15.7340578782  SOLV      581             0.0000000000
      2963       585  SWM4      OH2            -7.2505294193       -4.6226179779        6.6667075409  SOLV      582             0.0000000000
      2964       585  SWM4      DOH2           -7.1736575243       -4.6204316832        6.5409391944  SOLV      582             0.0000000000
      2965       585  SWM4      OM             -7.4308599916       -4.7166969612        6.7947532805  SOLV      582             0.0000000000
      2966       585  SWM4      H1             -7.9954270442       -5.1300866857        6.3444985431  SOLV      582             0.0000000000
      2967       585  SWM4      H2             -7.3848089100       -4.5738187056        7.6131861837  SOLV      582             0.0000000000
      2968       586  SWM4      OH2            -0.1006394117       -5.4897979662       15.4534676053  SOLV      583             0.0000000000
      2969       586  SWM4      DOH2           -0.0569594631       -5.5460894923       15.4959135211  SOLV      583             0.0000000000
      2970       586  SWM4      OM             -0.1392889391       -5.3729099766       15.2470477944  SOLV      583             0.0000000000
      2971       586  SWM4      H1              0.5412392364       -5.0331677842       14.9096882488  SOLV      583             0.0000000000
      2972       586  SWM4      H2             -0.9309481844       -5.3765577816       14.9908780509  SOLV      583             0.0000000000
      2973       587  SWM4      OH2           -12.1256993982       -5.3276179626       12.4364976404  SOLV      584             0.0000000000
      2974       587  SWM4      DOH2          -12.1403226173       -5.3352779392       12.4524017381  SOLV      584             0.0000000000
      2975       587  SWM4      OM            -11.9570179956       -5.4970525001       12.4119169632  SOLV      584             0.0000000000
      2976       587  SWM4      H1            -11.3809804044       -5.3300481821       11.8351502206  SOLV      584             0.0000000000
      2977       587  SWM4      H2            -12.0480406111       -6.1512374632       12.9180071372  SOLV      584             0.0000000000
      2978       588  SWM4      OH2            -5.1251193991       -3.1641879844        5.6921675524  SOLV      585             0.0000000000
      2979       588  SWM4      DOH2           -5.2164415590       -3.2203918841        5.5773330767  SOLV      585             0.0000000000
      2980       588  SWM4      OM             -5.3298569755       -3.1216306256        5.8106458146  SOLV      585             0.0000000000
      2981       588  SWM4      H1             -5.4202786873       -2.3373982968        6.0736481917  SOLV      585             0.0000000000
      2982       588  SWM4      H2             -5.8281201100       -3.7834971458        5.8883053626  SOLV      585             0.0000000000
      2983       589  SWM4      OH2             2.2503705752       -9.7319479865        6.2213775735  SOLV      586             0.0000000000
      2984       589  SWM4      DOH2            2.2929864795       -9.7277626285        6.2304007119  SOLV      586             0.0000000000
      2985       589  SWM4      OM              2.1572456260       -9.6264523464        6.0265337712  SOLV      586             0.0000000000
      2986       589  SWM4      H1              1.6960002558      -10.1281473701        5.5491292812  SOLV      586             0.0000000000
      2987       589  SWM4      H2              2.3507309136       -8.8214282487        5.9437092021  SOLV      586             0.0000000000
      2988       590  SWM4      OH2             0.5455405891       -0.9459079757        6.6865875630  SOLV      587             0.0000000000
      2989       590  SWM4      DOH2            0.6630105048       -0.9105995769        6.6581560865  SOLV      587             0.0000000000
      2990       590  SWM4      OM              0.5259441061       -1.1528034747        6.5658568323  SOLV      587             0.0000000000
      2991       590  SWM4      H1              0.1726514517       -1.7715260805        6.9956471391  SOLV      587             0.0000000000
      2992       590  SWM4      H2              0.8228912587       -1.1289672151        5.7889296720  SOLV      587             0.0000000000
      2993       591  SWM4      OH2            -2.2940694094       -6.1379579721       13.7077775787  SOLV      588             0.0000000000
      2994       591  SWM4      DOH2           -2.2199843943       -6.1068307688       13.6827794476  SOLV      588             0.0000000000
      2995       591  SWM4      OM             -2.3919490862       -6.3448820699       13.6345131755  SOLV      588             0.0000000000
      2996       591  SWM4      H1             -3.2223776728       -6.3697666459       13.6807076131  SOLV      588             0.0000000000
      2997       591  SWM4      H2             -1.8429588080       -6.9149772046       13.3776578147  SOLV      588             0.0000000000
      2998       592  SWM4      OH2            -9.7507594231       -1.8097979675        9.8406475064  SOLV      589             0.0000000000
      2999       592  SWM4      DOH2           -9.7444990971       -1.9168942838        9.8059667261  SOLV      589             0.0000000000
      3000       592  SWM4      OM             -9.8231511117       -1.6050188772        9.7377368478  SOLV      589             0.0000000000
      3001       592  SWM4      H1             -9.2235404014       -1.0363582505        9.6405262919  SOLV      589             0.0000000000
      3002       592  SWM4      H2            -10.6309098592       -1.5848787653        9.5390480033  SOLV      589             0.0000000000
      3003       593  SWM4      OH2           -13.9959894586       -6.9473879867        4.4278875686  SOLV      590             0.0000000000
      3004       593  SWM4      DOH2          -13.9179775906       -6.9776427211        4.3466718513  SOLV      590             0.0000000000
      3005       593  SWM4      OM            -14.0463960171       -6.7540284322        4.5614425670  SOLV      590             0.0000000000
      3006       593  SWM4      H1            -13.3799994435       -6.3206685757        4.8073674774  SOLV      590             0.0000000000
      3007       593  SWM4      H2            -14.8577306466       -6.6314087283        4.6995374977  SOLV      590             0.0000000000
      3008       594  SWM4      OH2            -8.3235294127       -4.1468079833        9.4170775828  SOLV      591             0.0000000000
      3009       594  SWM4      DOH2           -8.3351780607       -4.1106287080        9.3364635688  SOLV      591             0.0000000000
      3010       594  SWM4      OM             -8.5248737531       -4.0511094321        9.5068991675  SOLV      591             0.0000000000
      3011       594  SWM4      H1             -8.5645290553       -3.2213681117        9.4586059222  SOLV      591             0.0000000000
      3012       594  SWM4      H2             -9.0641696027       -4.6056762415        9.8134678553  SOLV      591             0.0000000000
      3013       595  SWM4      OH2            -7.8088694382        0.0025520268       15.7321875229  SOLV      592             0.0000000000
      3014       595  SWM4      DOH2           -7.8529042562        0.0183761894       15.7833815581  SOLV      592             0.0000000000
      3015       595  SWM4      OM             -7.6254972390        0.1179753803       15.8361962590  SOLV      592             0.0000000000
      3016       595  SWM4      H1             -7.4463993310        0.8571114601       15.4986282773  SOLV      592             0.0000000000
      3017       595  SWM4      H2             -7.2773509268       -0.2892872972       16.4728172701  SOLV      592             0.0000000000
      3018       596  SWM4      OH2            -9.6404493578        0.8749520292        8.9622975071  SOLV      593             0.0000000000
      3019       596  SWM4      DOH2           -9.6638728810        0.9334563189        8.8695543179  SOLV      593             0.0000000000
      3020       596  SWM4      OM             -9.7631367852        1.0649870149        9.0435393820  SOLV      593             0.0000000000
      3021       596  SWM4      H1            -10.5903993308        0.9806935048        9.0136276056  SOLV      593             0.0000000000
      3022       596  SWM4      H2             -9.2886395025        1.6956924166        9.3070470897  SOLV      593             0.0000000000
      3023       597  SWM4      OH2            -4.2647893937       -3.8983779575       15.4327475496  SOLV      594             0.0000000000
      3024       597  SWM4      DOH2           -4.2461580332       -3.8110302775       15.4511066430  SOLV      594             0.0000000000
      3025       597  SWM4      OM             -4.2330557063       -4.0966539245       15.5648282755  SOLV      594             0.0000000000
      3026       597  SWM4      H1             -4.6906583744       -4.1262070186       16.2591466413  SOLV      594             0.0000000000
      3027       597  SWM4      H2             -3.6842098775       -4.6371972696       15.2502773038  SOLV      594             0.0000000000
      3028       598  SWM4      OH2            -2.0618994153       -2.9693279620        4.5066475662  SOLV      595             0.0000000000
      3029       598  SWM4      DOH2           -1.9772639916       -2.9823505792        4.5052252596  SOLV      595             0.0000000000
      3030       598  SWM4      OM             -2.1840110313       -3.0664567942        4.6894600919  SOLV      595             0.0000000000
      3031       598  SWM4      H1             -1.7085888823       -3.3493456516        5.3109943803  SOLV      595             0.0000000000
      3032       598  SWM4      H2             -3.0105478070       -3.0628478593        4.5935772035  SOLV      595             0.0000000000
      3033       599  SWM4      OH2             2.4415405853        1.5099220376        4.7076675818  SOLV      596             0.0000000000
      3034       599  SWM4      DOH2            2.4743256533        1.5889021784        4.6252908202  SOLV      596             0.0000000000
      3035       599  SWM4      OM              2.4517141021        1.7467522513        4.7473363607  SOLV      596             0.0000000000
      3036       599  SWM4      H1              3.1853288660        2.0959710113        4.5678268573  SOLV      596             0.0000000000
      3037       599  SWM4      H2              1.7473515018        2.0785012684        5.0409071743  SOLV      596             0.0000000000
      3038       600  SWM4      OH2            -1.1959695134       -4.2971286083        6.7334376452  SOLV      597             0.0000000000
      3039       600  SWM4      DOH2           -1.1960958685       -4.2055274384        6.7283732992  SOLV      597             0.0000000000
      3040       600  SWM4      OM             -1.0626309022       -4.4220171386        6.8896070932  SOLV      597             0.0000000000
      3041       600  SWM4      H1             -1.4732107337       -5.0251993092        7.2895458480  SOLV      597             0.0000000000
      3042       600  SWM4      H2             -0.2686688263       -4.1779274068        6.9386963018  SOLV      597             0.0000000000
      3043       601  SWM4      OH2            -7.9711194151       -1.8577179786        2.9536475654  SOLV      598             0.0000000000
      3044       601  SWM4      DOH2           -7.9654277773       -1.8776680388        2.9306079353  SOLV      598             0.0000000000
      3045       601  SWM4      OM             -7.9772504829       -2.0907304254        3.0122417847  SOLV      598             0.0000000000
      3046       601  SWM4      H1             -7.7321397337       -2.6059071543        2.4065366505  SOLV      598             0.0000000000
      3047       601  SWM4      H2             -8.2399905646       -2.2455482089        3.7864259524  SOLV      598             0.0000000000
      3048       602  SWM4      OH2            -9.0340594351       -2.2873379653        5.4099075571  SOLV      599             0.0000000000
      3049       602  SWM4      DOH2           -9.0502025760       -2.2514298805        5.4014662531  SOLV      599             0.0000000000
      3050       602  SWM4      OM             -9.0045288598       -2.2080115801        5.6348541240  SOLV      599             0.0000000000
      3051       602  SWM4      H1             -8.8872589922       -2.8073581409        6.1999977219  SOLV      599             0.0000000000
      3052       602  SWM4      H2             -9.0368901343       -1.3805791669        5.7164959299  SOLV      599             0.0000000000
      3053       603  SWM4      OH2           -12.5809494818       -5.0350079785        5.9204475737  SOLV      600             0.0000000000
      3054       603  SWM4      DOH2          -12.4849615015       -5.1463748486        5.9190076335  SOLV      600             0.0000000000
      3055       603  SWM4      OM            -12.6144404795       -4.8062612857        5.9861664420  SOLV      600             0.0000000000
      3056       603  SWM4      H1            -13.2670176821       -4.6827604093        6.4874171765  SOLV      600             0.0000000000
      3057       603  SWM4      H2            -12.0581599196       -4.2720503601        5.6738762014  SOLV      600             0.0000000000
      3058       604  SWM4      OH2            -3.9649494163      -12.7204579433        7.2965775758  SOLV      601             0.0000000000
      3059       604  SWM4      DOH2           -3.9680257611      -12.6950781299        7.3833558168  SOLV      601             0.0000000000
      3060       604  SWM4      OM             -3.8053247635      -12.5428715287        7.2692153125  SOLV      601             0.0000000000
      3061       604  SWM4      H1             -3.7451178194      -12.2489174485        6.4931175690  SOLV      601             0.0000000000
      3062       604  SWM4      H2             -3.4065501553      -12.3261967229        7.9666359930  SOLV      601             0.0000000000
      3063       605  SWM4      OH2            -6.2963394220       -0.5899779733        6.1593275378  SOLV      602             0.0000000000
      3064       605  SWM4      DOH2           -6.3439852184       -0.7464472329        6.2025988986  SOLV      602             0.0000000000
      3065       605  SWM4      OM             -6.3551577233       -0.3905408084        6.0387834311  SOLV      602             0.0000000000
      3066       605  SWM4      H1             -7.1127277244       -0.0930095144        6.2117577107  SOLV      602             0.0000000000
      3067       605  SWM4      H2             -5.7667083924       -0.1146278745        5.5192066482  SOLV      602             0.0000000000
      3068       606  SWM4      OH2            -6.7649594411      -10.9925780059        8.1314175035  SOLV      603             0.0000000000
      3069       606  SWM4      DOH2           -6.7284778057      -10.9084698954        8.0807742707  SOLV      603             0.0000000000
      3070       606  SWM4      OM             -6.6485465464      -10.9188834575        8.3283513300  SOLV      603             0.0000000000
      3071       606  SWM4      H1             -5.9527012068      -10.4882585831        8.1775881270  SOLV      603             0.0000000000
      3072       606  SWM4      H2             -7.0096593982      -11.1376077285        9.0453765532  SOLV      603             0.0000000000
      3073       607  SWM4      OH2            -5.8812893926      -13.9112779563        9.0695275546  SOLV      604             0.0000000000
      3074       607  SWM4      DOH2           -5.9312107774      -13.9809106202        9.0821255988  SOLV      604             0.0000000000
      3075       607  SWM4      OM             -5.8172856580      -13.6820365051        9.1029570370  SOLV      604             0.0000000000
      3076       607  SWM4      H1             -6.2279392635      -13.2942184085        9.7139565704  SOLV      604             0.0000000000
      3077       607  SWM4      H2             -5.2225996445      -13.4107083264        8.5880784356  SOLV      604             0.0000000000
      3078       608  SWM4      OH2            -8.9580294087        0.4537420258        6.1410175596  SOLV      605             0.0000000000
      3079       608  SWM4      DOH2           -8.9451384285        0.4583947805        6.1188679261  SOLV      605             0.0000000000
      3080       608  SWM4      OM             -8.9654854067        0.6806694022        6.2198468289  SOLV      605             0.0000000000
      3081       608  SWM4      H1             -8.7971605857        1.2534904566        5.6402784601  SOLV      605             0.0000000000
      3082       608  SWM4      H2             -9.1552488302        0.7603410283        7.0260759342  SOLV      605             0.0000000000
      3083       609  SWM4      OH2           -10.2235894194      -12.8483380256        5.7567775488  SOLV      606             0.0000000000
      3084       609  SWM4      DOH2          -10.3476038620      -12.8390669142        5.7453722718  SOLV      606             0.0000000000
      3085       609  SWM4      OM            -10.0581622913      -12.7205554591        5.8753996932  SOLV      606             0.0000000000
      3086       609  SWM4      H1            -10.3071112613      -11.9600288006        6.1034170413  SOLV      606             0.0000000000
      3087       609  SWM4      H2             -9.3335594702      -13.1136682874        5.9884575742  SOLV      606             0.0000000000
      3088       610  SWM4      OH2            -1.4226394112       -8.3491779893       12.2467775279  SOLV      607             0.0000000000
      3089       610  SWM4      DOH2           -1.3891145687       -8.3177009823       12.2973323179  SOLV      607             0.0000000000
      3090       610  SWM4      OM             -1.4949325491       -8.5759547550       12.2801191606  SOLV      607             0.0000000000
      3091       610  SWM4      H1             -2.2201993745       -8.7641576801       11.9182797416  SOLV      607             0.0000000000
      3092       610  SWM4      H2             -0.9775316605       -9.0398061401       12.7378261242  SOLV      607             0.0000000000
      3093       611  SWM4      OH2           -11.9650594297       -2.4211179735        4.8172275151  SOLV      608             0.0000000000
      3094       611  SWM4      DOH2          -12.0233350161       -2.4854719079        4.7932998746  SOLV      608             0.0000000000
      3095       611  SWM4      OM            -11.7493937593       -2.3664699312        4.7263012460  SOLV      608             0.0000000000
      3096       611  SWM4      H1            -11.3729099797       -1.7216398095        5.0934673859  SOLV      608             0.0000000000
      3097       611  SWM4      H2            -11.5057609520       -2.8541673026        4.0976888876  SOLV      608             0.0000000000
      3098       612  SWM4      OH2           -13.6491394746       -9.7568180144        3.9331675651  SOLV      609             0.0000000000
      3099       612  SWM4      DOH2          -13.6455789330       -9.7775995145        3.9598393723  SOLV      609             0.0000000000
      3100       612  SWM4      OM            -13.8403909312       -9.6124592767        3.9144838899  SOLV      609             0.0000000000
      3101       612  SWM4      H1            -13.6938791977       -8.8175090345        4.1118680693  SOLV      609             0.0000000000
      3102       612  SWM4      H2            -14.5368179376       -9.9923280344        3.6633777506  SOLV      609             0.0000000000
      3103       613  SWM4      OH2            -0.3361794126        0.9070720238       13.8691275573  SOLV      610             0.0000000000
      3104       613  SWM4      DOH2           -0.3266716954        0.8750233687       13.9533889124  SOLV      610             0.0000000000
      3105       613  SWM4      OM             -0.1767907822        1.0609838040       13.7760033997  SOLV      610             0.0000000000
      3106       613  SWM4      H1             -0.4917491372        1.5855104816       13.2120573641  SOLV      610             0.0000000000
      3107       613  SWM4      H2              0.5964606084        0.9790021514       14.0721878443  SOLV      610             0.0000000000
      3108       614  SWM4      OH2           -12.8409394802      -14.9751579983       12.6062676306  SOLV      611             0.0000000000
      3109       614  SWM4      DOH2          -12.8618571777      -14.9241987865       12.6089254185  SOLV      611             0.0000000000
      3110       614  SWM4      OM            -12.9787105537      -15.1253428168       12.4788733360  SOLV      611             0.0000000000
      3111       614  SWM4      H1            -13.0699591157      -14.9159083730       11.6787686773  SOLV      611             0.0000000000
      3112       614  SWM4      H2            -13.2835999341      -15.7666086133       12.9126782307  SOLV      611             0.0000000000
      3113       615  SWM4      OH2           -13.9106093708       -1.0344479697        8.7668474824  SOLV      612             0.0000000000
      3114       615  SWM4      DOH2          -13.9072057296       -1.0196722260        8.7954534823  SOLV      612             0.0000000000
      3115       615  SWM4      OM            -13.9693356407       -0.8330197244        8.6496147055  SOLV      612             0.0000000000
      3116       615  SWM4      H1            -14.7427492830       -0.5621793531        8.7939878582  SOLV      612             0.0000000000
      3117       615  SWM4      H2            -13.3647786946       -0.5246884939        8.1681586817  SOLV      612             0.0000000000
      3118       616  SWM4      OH2            -5.9329393911        0.0054220264        3.0922475740  SOLV      613             0.0000000000
      3119       616  SWM4      DOH2           -5.9225652974        0.0283510168        3.0612280370  SOLV      613             0.0000000000
      3120       616  SWM4      OM             -5.9087497345       -0.2329932958        3.1106505938  SOLV      613             0.0000000000
      3121       616  SWM4      H1             -6.5768382387       -0.6257174429        3.4136183807  SOLV      613             0.0000000000
      3122       616  SWM4      H2             -5.1711089979       -0.5257771197        2.8605965152  SOLV      613             0.0000000000
      3123       617  SWM4      OH2            -1.3286494163       -0.1775879715        3.3260475520  SOLV      614             0.0000000000
      3124       617  SWM4      DOH2           -1.3115359719       -0.1799540485        3.3035835410  SOLV      614             0.0000000000
      3125       617  SWM4      OM             -1.1188532668       -0.2927345289        3.3038544803  SOLV      614             0.0000000000
      3126       617  SWM4      H1             -1.0456104833       -0.9720680379        3.7787381945  SOLV      614             0.0000000000
      3127       617  SWM4      H2             -0.5888586228        0.0555122792        2.7651580415  SOLV      614             0.0000000000
      3128       618  SWM4      OH2           -10.3739194157       -4.2680979454        3.1835375662  SOLV      615             0.0000000000
      3129       618  SWM4      DOH2          -10.4236397803       -4.1771845182        3.1412927439  SOLV      615             0.0000000000
      3130       618  SWM4      OM            -10.2267847088       -4.4553180051        3.1508919225  SOLV      615             0.0000000000
      3131       618  SWM4      H1            -10.3095111331       -5.0621361845        3.7141784499  SOLV      615             0.0000000000
      3132       618  SWM4      H2             -9.7209998093       -4.3868158817        2.4937393850  SOLV      615             0.0000000000
      3133       619  SWM4      OH2            -5.0215794020       -3.2209279657        2.9193375444  SOLV      616             0.0000000000
      3134       619  SWM4      DOH2           -4.9536261695       -3.1789394582        2.8132486326  SOLV      616             0.0000000000
      3135       619  SWM4      OM             -5.1190150593       -3.3737730666        3.0771677372  SOLV      616             0.0000000000
      3136       619  SWM4      H1             -5.2901692321       -3.0407157414        3.8202274984  SOLV      616             0.0000000000
      3137       619  SWM4      H2             -5.2280178223       -4.1463060219        2.7879180368  SOLV      616             0.0000000000
      3138       620  SWM4      OH2            -9.2245393950       -6.2954779762        5.4893375528  SOLV      617             0.0000000000
      3139       620  SWM4      DOH2           -9.2237308224       -6.3192870675        5.4068869643  SOLV      617             0.0000000000
      3140       620  SWM4      OM             -9.2665733109       -6.5318972494        5.4995727206  SOLV      617             0.0000000000
      3141       620  SWM4      H1             -9.6843393288       -6.7796482334        6.1751872673  SOLV      617             0.0000000000
      3142       620  SWM4      H2             -8.9696700554       -6.9639376829        4.8533879607  SOLV      617             0.0000000000
      3143       621  SWM4      OH2            -8.1534993226       -8.0522980025        3.7516575514  SOLV      618             0.0000000000
      3144       621  SWM4      DOH2           -8.2515172124       -8.0817165474        3.7593459086  SOLV      618             0.0000000000
      3145       621  SWM4      OM             -7.9956527749       -8.0619406496        3.5706683956  SOLV      618             0.0000000000
      3146       621  SWM4      H1             -8.3339977990       -8.2071787322        2.8244892117  SOLV      618             0.0000000000
      3147       621  SWM4      H2             -7.2034481652       -7.9444287142        3.7964471593  SOLV      618             0.0000000000
      3148       622  SWM4      OH2             1.2363305876       -5.6978779740        3.1974675551  SOLV      619             0.0000000000
      3149       622  SWM4      DOH2            1.1513840042       -5.7473350681        3.3332451686  SOLV      619             0.0000000000
      3150       622  SWM4      OM              1.1883112175       -5.5938847441        2.9861733994  SOLV      619             0.0000000000
      3151       622  SWM4      H1              0.9628091174       -6.1223277882        2.3842981159  SOLV      619             0.0000000000
      3152       622  SWM4      H2              1.2757414467       -4.7664259369        2.9805072365  SOLV      619             0.0000000000
      3153       623  SWM4      OH2            -8.2563294646        2.6380720410        4.7530175582  SOLV      620             0.0000000000
      3154       623  SWM4      DOH2           -8.3697089270        2.6797776114        4.7164109195  SOLV      620             0.0000000000
      3155       623  SWM4      OM             -8.1191190461        2.8089664968        4.6543560546  SOLV      620             0.0000000000
      3156       623  SWM4      H1             -7.3232597084        2.7959429722        4.8968564489  SOLV      620             0.0000000000
      3157       623  SWM4      H2             -8.5204506528        3.3133723241        4.1281690132  SOLV      620             0.0000000000
      3158       624  SWM4      OH2           -14.6878393994       -2.7255479701        4.2358275533  SOLV      621             0.0000000000
      3159       624  SWM4      DOH2          -14.7015671113       -2.6416204113        4.2347348620  SOLV      621             0.0000000000
      3160       624  SWM4      OM            -14.4988802818       -2.8502891915        4.1552065663  SOLV      621             0.0000000000
      3161       624  SWM4      H1            -13.7739198511       -2.6466560151        4.5092179933  SOLV      621             0.0000000000
      3162       624  SWM4      H2            -14.6805295726       -3.4125885512        3.5693867601  SOLV      621             0.0000000000
      3163       625  SWM4      OH2           -15.1688593826        0.7480020272       11.1178375358  SOLV      622             0.0000000000
      3164       625  SWM4      DOH2          -15.1138006243        0.7898206216       11.0457797524  SOLV      622             0.0000000000
      3165       625  SWM4      OM            -15.1918486272        0.6383137292       11.3304538236  SOLV      622             0.0000000000
      3166       625  SWM4      H1            -15.5031797816       -0.1322674753       11.2898558922  SOLV      622             0.0000000000
      3167       625  SWM4      H2            -14.9466194447        1.0935028810       11.9823975984  SOLV      622             0.0000000000
      3168       626  SWM4      OH2             2.3796205880        1.5576420329       14.0983175988  SOLV      623             0.0000000000
      3169       626  SWM4      DOH2            2.2874843058        1.6026882097       14.1793611868  SOLV      623             0.0000000000
      3170       626  SWM4      OM              2.5169017065        1.7121426666       14.2209923692  SOLV      623             0.0000000000
      3171       626  SWM4      H1              2.3582907762        1.7424826059       15.0372565615  SOLV      623             0.0000000000
      3172       626  SWM4      H2              3.0702403486        2.1260423581       13.7574581341  SOLV      623             0.0000000000
      3173       627  SWM4      OH2             1.6946105876       -4.8290679873        7.1725075653  SOLV      624             0.0000000000
      3174       627  SWM4      DOH2            1.7640595881       -4.8017400438        7.1630119412  SOLV      624             0.0000000000
      3175       627  SWM4      OM              1.8701162848       -4.8944786015        7.3231225559  SOLV      624             0.0000000000
      3176       627  SWM4      H1              2.5447507073       -4.4079788953        7.2996672836  SOLV      624             0.0000000000
      3177       627  SWM4      H2              1.7001209052       -5.5690561805        7.7796474644  SOLV      624             0.0000000000
      3178       628  SWM4      OH2             2.0891705978       -6.7753279630        8.9960775102  SOLV      625             0.0000000000
      3179       628  SWM4      DOH2            2.0896952343       -6.7683073642        8.9715910069  SOLV      625             0.0000000000
      3180       628  SWM4      OM              2.0593860132       -6.8315844560        9.2278399680  SOLV      625             0.0000000000
      3181       628  SWM4      H1              1.3626314424       -7.2550661816        9.3938380458  SOLV      625             0.0000000000
      3182       628  SWM4      H2              2.6705000451       -6.5698587558        9.7282361264  SOLV      625             0.0000000000
      3183       629  SWM4      OH2             1.8482905876       -3.9905779692       13.9438375705  SOLV      626             0.0000000000
      3184       629  SWM4      DOH2            1.8941530698       -4.0266580410       13.9653296453  SOLV      626             0.0000000000
      3185       629  SWM4      OM              2.0422162247       -3.8746636585       13.8618473099  SOLV      626             0.0000000000
      3186       629  SWM4      H1              2.6817093923       -4.3685773007       13.6631987909  SOLV      626             0.0000000000
      3187       629  SWM4      H2              1.9603216962       -3.0474590868       13.8247477671  SOLV      626             0.0000000000
      3188       630  SWM4      OH2             2.3574805916       -6.8744779910        5.3872075473  SOLV      627             0.0000000000
      3189       630  SWM4      DOH2            2.4080349239       -6.8859474523        5.4769464043  SOLV      627             0.0000000000
      3190       630  SWM4      OM              2.2436479039       -6.6629650767        5.3788344861  SOLV      627             0.0000000000
      3191       630  SWM4      H1              1.8355918335       -6.5180681339        4.6682982429  SOLV      627             0.0000000000
      3192       630  SWM4      H2              2.3244014962       -6.1996998923        6.0652952588  SOLV      627             0.0000000000
      3193       631  SWM4      OH2             0.7063805879       -9.6349179317        3.9379175672  SOLV      628             0.0000000000
      3194       631  SWM4      DOH2            0.6723236288       -9.5804714752        3.9428578859  SOLV      628             0.0000000000
      3195       631  SWM4      OM              0.6974376007       -9.6654120796        3.6996827571  SOLV      628             0.0000000000
      3196       631  SWM4      H1              0.8028204953       -8.9682187167        3.2578886132  SOLV      628             0.0000000000
      3197       631  SWM4      H2              0.5663404053      -10.4502864006        3.4564680266  SOLV      628             0.0000000000
      3198       632  SWM4      OH2            -0.1241494098       -8.2546779580        9.5589476434  SOLV      629             0.0000000000
      3199       632  SWM4      DOH2           -0.0170000428       -8.1470205005        9.5390849638  SOLV      629             0.0000000000
      3200       632  SWM4      OM             -0.2274584690       -8.3908729501        9.7278966698  SOLV      629             0.0000000000
      3201       632  SWM4      H1             -0.2742675424       -9.1998168566        9.5387271024  SOLV      629             0.0000000000
      3202       632  SWM4      H2             -0.4776988773       -7.9735371316       10.4028541505  SOLV      629             0.0000000000
      3203       633  SWM4      OH2           -15.0889094146       -6.1764579752       13.5693275930  SOLV      630             0.0000000000
      3204       633  SWM4      DOH2          -15.0726174803       -6.1724968969       13.5337837014  SOLV      630             0.0000000000
      3205       633  SWM4      OM            -14.8769049900       -6.2187385790       13.4642934205  SOLV      630             0.0000000000
      3206       633  SWM4      H1            -14.9046199086       -6.2582870384       12.6336188816  SOLV      630             0.0000000000
      3207       633  SWM4      H2            -14.2396204385       -6.3007581459       13.9929667149  SOLV      630             0.0000000000
      3208       634  SWM4      OH2            -0.0462394103      -12.2269379978        3.0554675799  SOLV      631             0.0000000000
      3209       634  SWM4      DOH2            0.0572558171      -12.2575891860        3.1286628081  SOLV      631             0.0000000000
      3210       634  SWM4      OM             -0.0926501788      -12.3895160654        3.2262892818  SOLV      631             0.0000000000
      3211       634  SWM4      H1              0.5643398743      -12.5982576232        3.6922878087  SOLV      631             0.0000000000
      3212       634  SWM4      H2             -0.8830889117      -12.6482486354        3.2514686071  SOLV      631             0.0000000000
      3213       635  SWM4      OH2            -0.4136694135      -10.6720979778        8.0214575181  SOLV      632             0.0000000000
      3214       635  SWM4      DOH2           -0.3922296281      -10.6914442308        7.9734128619  SOLV      632             0.0000000000
      3215       635  SWM4      OM             -0.2005782995      -10.7690789128        7.9671202093  SOLV      632             0.0000000000
      3216       635  SWM4      H1             -0.1339591386      -11.5790571242        8.1456273567  SOLV      632             0.0000000000
      3217       635  SWM4      H2              0.3454997863      -10.2379483385        7.6323774974  SOLV      632             0.0000000000
      3218       636  SWM4      OH2             0.1981605895      -10.0903579297       13.4573476040  SOLV      633             0.0000000000
      3219       636  SWM4      DOH2            0.1984271850      -10.1172082933       13.5541272431  SOLV      633             0.0000000000
      3220       636  SWM4      OM              0.3412373323      -10.0261163697       13.6394675847  SOLV      633             0.0000000000
      3221       636  SWM4      H1              1.1309580612       -9.8783682678       13.4229465373  SOLV      633             0.0000000000
      3222       636  SWM4      H2             -0.0370896918       -9.9891478305       14.3796451240  SOLV      633             0.0000000000
      3223       637  SWM4      OH2             0.1998105917      -13.4091679235        8.0696576086  SOLV      634             0.0000000000
      3224       637  SWM4      DOH2            0.3510640919      -13.3900289974        7.9979065809  SOLV      634             0.0000000000
      3225       637  SWM4      OM              0.1142347256      -13.6211360069        8.1439005968  SOLV      634             0.0000000000
      3226       637  SWM4      H1              0.3823110577      -13.8580177199        8.8951559412  SOLV      634             0.0000000000
      3227       637  SWM4      H2             -0.3998982904      -13.9937272637        7.6061166451  SOLV      634             0.0000000000
      3228       638  SWM4      OH2           -14.2701793902      -12.5937979777       12.6014975886  SOLV      635             0.0000000000
      3229       638  SWM4      DOH2          -14.3913212181      -12.5983952654       12.6127605388  SOLV      635             0.0000000000
      3230       638  SWM4      OM            -14.0832260502      -12.6092286978       12.7517506195  SOLV      635             0.0000000000
      3231       638  SWM4      H1            -13.8250217289      -13.3855480042       12.9034683912  SOLV      635             0.0000000000
      3232       638  SWM4      H2            -13.8038815688      -11.8772775075       13.0320578390  SOLV      635             0.0000000000
      3233       639  SWM4      OH2           -15.9661494075       -9.5944980161       13.6705176049  SOLV      636             0.0000000000
      3234       639  SWM4      DOH2          -15.9597589183       -9.5867810773       13.6630309897  SOLV      636             0.0000000000
      3235       639  SWM4      OM            -15.7909676306       -9.4674522105       13.5659401596  SOLV      636             0.0000000000
      3236       639  SWM4      H1            -15.4741695778       -9.8154478050       12.8797171213  SOLV      636             0.0000000000
      3237       639  SWM4      H2            -15.6040593595       -8.7541576117       13.9514684427  SOLV      636             0.0000000000
      3238       640  SWM4      OH2           -15.6524995036      -13.3365879659        7.7247575521  SOLV      637             0.0000000000
      3239       640  SWM4      DOH2          -15.6539038088      -13.3157120471        7.7321561627  SOLV      637             0.0000000000
      3240       640  SWM4      OM            -15.7491436218      -13.1944965307        7.5567231714  SOLV      637             0.0000000000
      3241       640  SWM4      H1            -16.5776584535      -13.1279271800        7.5953071555  SOLV      637             0.0000000000
      3242       640  SWM4      H2            -15.1985116239      -12.8525088609        7.0349881444  SOLV      637             0.0000000000
      3243       641  SWM4      OH2            -0.8817794146        1.6475820275        9.6704975644  SOLV      638             0.0000000000
      3244       641  SWM4      DOH2           -0.9389989292        1.5200819546        9.6704423318  SOLV      638             0.0000000000
      3245       641  SWM4      OM             -0.6432958411        1.6764072008        9.6782677969  SOLV      638             0.0000000000
      3246       641  SWM4      H1             -0.2294919722        1.2997922422        9.0624095855  SOLV      638             0.0000000000
      3247       641  SWM4      H2             -0.3713992875        2.1359018936       10.3164678634  SOLV      638             0.0000000000
      3248       642  SWM4      OH2           -10.6738094127        2.4076220264       15.5492375796  SOLV      639             0.0000000000
      3249       642  SWM4      DOH2          -10.7646035266        2.3135328654       15.5575804530  SOLV      639             0.0000000000
      3250       642  SWM4      OM            -10.8624900161        2.5345016173       15.4713473577  SOLV      639             0.0000000000
      3251       642  SWM4      H1            -11.5385886118        2.4794720734       15.9532465952  SOLV      639             0.0000000000
      3252       642  SWM4      H2            -10.7289095998        2.9543512474       14.7654884512  SOLV      639             0.0000000000
      3253       643  SWM4      OH2            -3.6356194067        1.1734720241       15.6698675433  SOLV      640             0.0000000000
      3254       643  SWM4      DOH2           -3.6715069876        1.1934686899       15.7722374571  SOLV      640             0.0000000000
      3255       643  SWM4      OM             -3.7332066915        1.3823271351       15.6018826621  SOLV      640             0.0000000000
      3256       643  SWM4      H1             -4.5402492194        1.3384929766       15.4040780262  SOLV      640             0.0000000000
      3257       643  SWM4      H2             -3.2067613707        2.0266914097       15.6042073363  SOLV      640             0.0000000000
      3258       644  SWM4      OH2            -1.0314294160        2.7433820350       15.9646475742  SOLV      641             0.0000000000
      3259       644  SWM4      DOH2           -0.9954508838        2.7453021677       15.9221062376  SOLV      641             0.0000000000
      3260       644  SWM4      OM             -1.0324592052        2.8470884353       15.7478305724  SOLV      641             0.0000000000
      3261       644  SWM4      H1             -1.2132306299        3.6592706077       15.7541396227  SOLV      641             0.0000000000
      3262       644  SWM4      H2             -0.8546489013        2.3330922551       15.1181104467  SOLV      641             0.0000000000
      3263       645  SWM4      OH2           -13.7262594043        1.4304820274       13.4296975842  SOLV      642             0.0000000000
      3264       645  SWM4      DOH2          -13.7766400736        1.4853691145       13.3132621054  SOLV      642             0.0000000000
      3265       645  SWM4      OM            -13.5649606084        1.2778799097       13.5216810178  SOLV      642             0.0000000000
      3266       645  SWM4      H1            -13.7446609410        1.0049924493       14.2869297227  SOLV      642             0.0000000000
      3267       645  SWM4      H2            -12.9214703713        1.1119833895       13.0209173259  SOLV      642             0.0000000000
      3268       646  SWM4      OH2           -11.5849494295        0.1403520274       12.0846875396  SOLV      643             0.0000000000
      3269       646  SWM4      DOH2          -11.6714396067        0.2446562109       12.0336817796  SOLV      643             0.0000000000
      3270       646  SWM4      OM            -11.4607974419       -0.0188600565       12.2150850226  SOLV      643             0.0000000000
      3271       646  SWM4      H1            -11.8038791029       -0.7759083249       12.2542861859  SOLV      643             0.0000000000
      3272       646  SWM4      H2            -10.7607310566        0.2803915698       12.5508265761  SOLV      643             0.0000000000
      3273       647  SWM4      OH2            -9.0476994233        0.6102820271       12.9334875674  SOLV      644             0.0000000000
      3274       647  SWM4      DOH2           -9.0966835613        0.5403287705       12.9760415556  SOLV      644             0.0000000000
      3275       647  SWM4      OM             -8.9908660324        0.4210978559       13.0703999282  SOLV      644             0.0000000000
      3276       647  SWM4      H1             -8.8351301556       -0.2778154773       12.6465760136  SOLV      644             0.0000000000
      3277       647  SWM4      H2             -8.9831894540        0.5760514781       13.8878866946  SOLV      644             0.0000000000
      3278       648  SWM4      OH2            -5.5393294349      -13.7256579426       12.0778175331  SOLV      645             0.0000000000
      3279       648  SWM4      DOH2           -5.4283380328      -13.7189645061       12.0949423081  SOLV      645             0.0000000000
      3280       648  SWM4      OM             -5.5619739518      -13.9540626318       12.0065137500  SOLV      645             0.0000000000
      3281       648  SWM4      H1             -6.2136483647      -14.3550979328       12.3333964534  SOLV      645             0.0000000000
      3282       648  SWM4      H2             -4.9754104033      -14.2097681192       11.4746081315  SOLV      645             0.0000000000
      3283       649  SWM4      OH2            -0.3966094090      -15.6182580169       12.1905275601  SOLV      646             0.0000000000
      3284       649  SWM4      DOH2           -0.4142272908      -15.5692597551       12.1871558487  SOLV      646             0.0000000000
      3285       649  SWM4      OM             -0.4511777831      -15.4405102908       12.0382325685  SOLV      646             0.0000000000
      3286       649  SWM4      H1              0.2071495126      -15.0707183258       11.6886274933  SOLV      646             0.0000000000
      3287       649  SWM4      H2             -1.2664076372      -15.2992171332       11.9499375174  SOLV      646             0.0000000000
      3288       650  SWM4      OH2             1.3304305923      -14.4793879366       10.5236175376  SOLV      647             0.0000000000
      3289       650  SWM4      DOH2            1.3138194650      -14.5657111263       10.5708216939  SOLV      647             0.0000000000
      3290       650  SWM4      OM              1.5343318581      -14.4049769573       10.4204045247  SOLV      647             0.0000000000
      3291       650  SWM4      H1              1.9421804559      -14.9938183048        9.9969774991  SOLV      647             0.0000000000
      3292       650  SWM4      H2              1.7127693208      -13.6021782467       10.5470586238  SOLV      647             0.0000000000
      3293       651  SWM4      OH2           -13.2125793795      -15.0916279821        9.8998075805  SOLV      648             0.0000000000
      3294       651  SWM4      DOH2          -13.1783835075      -15.0469691111        9.9361150406  SOLV      648             0.0000000000
      3295       651  SWM4      OM            -13.2631727768      -15.3031616904        9.7975359442  SOLV      648             0.0000000000
      3296       651  SWM4      H1            -13.9895992930      -15.3261382792        9.3923985114  SOLV      648             0.0000000000
      3297       651  SWM4      H2            -12.6822194460      -15.8884175193        9.9086074708  SOLV      648             0.0000000000
      3298       652  SWM4      OH2           -14.3762394806      -15.2938179829        5.7034175388  SOLV      649             0.0000000000
      3299       652  SWM4      DOH2          -14.3983976857      -15.2871517049        5.6302169444  SOLV      649             0.0000000000
      3300       652  SWM4      OM            -14.4161733203      -15.0580455887        5.6792857664  SOLV      649             0.0000000000
      3301       652  SWM4      H1            -13.9371693666      -14.6827672164        5.1117676187  SOLV      649             0.0000000000
      3302       652  SWM4      H2            -15.0099995148      -14.7554082487        6.1774177725  SOLV      649             0.0000000000
      3303       653  SWM4      OH2            -8.6333193590      -15.1649179876        9.7131175279  SOLV      650             0.0000000000
      3304       653  SWM4      DOH2           -8.5864166863      -15.2200192147        9.6680213902  SOLV      650             0.0000000000
      3305       653  SWM4      OM             -8.4818565045      -15.1293895601        9.8963179828  SOLV      650             0.0000000000
      3306       653  SWM4      H1             -7.7589800004      -14.7764881199        9.6835467183  SOLV      650             0.0000000000
      3307       653  SWM4      H2             -8.7692386694      -15.3801379548       10.6358360143  SOLV      650             0.0000000000
      3308       654  SWM4      OH2            -3.0764794201      -15.1349379934       11.3622875940  SOLV      651             0.0000000000
      3309       654  SWM4      DOH2           -3.0923872619      -15.0787210014       11.3566462110  SOLV      651             0.0000000000
      3310       654  SWM4      OM             -3.1172809705      -15.3016042813       11.1939924016  SOLV      651             0.0000000000
      3311       654  SWM4      H1             -3.0003195924      -15.0397782177       10.4128874883  SOLV      651             0.0000000000
      3312       654  SWM4      H2             -3.3515593412      -16.0426467372       11.4911975732  SOLV      651             0.0000000000
      3313       655  SWM4      OH2            -1.7232194138      -15.1091580091        7.0547875736  SOLV      652             0.0000000000
      3314       655  SWM4      DOH2           -1.5660613726      -15.1127136977        7.1009516700  SOLV      652             0.0000000000
      3315       655  SWM4      OM             -1.9586413246      -15.1547774984        7.0386305038  SOLV      652             0.0000000000
      3316       655  SWM4      H1             -2.4261078719      -14.4942371165        6.8449271293  SOLV      652             0.0000000000
      3317       655  SWM4      H2             -2.1680782282      -15.9464865563        7.1858778513  SOLV      652             0.0000000000
      3318       656  SWM4      OH2           -14.4752894275        0.6544020264        6.6009275240  SOLV      653             0.0000000000
      3319       656  SWM4      DOH2          -14.5109871937        0.7200836805        6.5372170005  SOLV      653             0.0000000000
      3320       656  SWM4      OM            -14.6150318272        0.8338052937        6.5231317575  SOLV      653             0.0000000000
      3321       656  SWM4      H1            -15.1602987287        0.6162909086        5.9334374350  SOLV      653             0.0000000000
      3322       656  SWM4      H2            -14.4715693089        1.5671615259        6.8891379536  SOLV      653             0.0000000000
      3323       657  SWM4      OH2           -12.5153294137      -13.3776679400        4.1458275468  SOLV      654             0.0000000000
      3324       657  SWM4      DOH2          -12.5292049658      -13.3723051021        4.0964962455  SOLV      654             0.0000000000
      3325       657  SWM4      OM            -12.2866311321      -13.4461398624        4.1736554028  SOLV      654             0.0000000000
      3326       657  SWM4      H1            -12.0239904899      -14.0074278430        3.6183770927  SOLV      654             0.0000000000
      3327       657  SWM4      H2            -11.8917000800      -13.0817275991        4.8089461907  SOLV      654             0.0000000000
      3328       658  SWM4      OH2            -7.4893193738      -13.0845179548        6.6028775230  SOLV      655             0.0000000000
      3329       658  SWM4      DOH2           -7.4874788905      -13.0575973331        6.5789015507  SOLV      655             0.0000000000
      3330       658  SWM4      OM             -7.4637311452      -13.0461428627        6.8387552841  SOLV      655             0.0000000000
      3331       658  SWM4      H1             -7.3111894952      -13.7311978967        7.2857369312  SOLV      655             0.0000000000
      3332       658  SWM4      H2             -7.5426992520      -12.2507488572        7.0699866837  SOLV      655             0.0000000000
      3333       659  SWM4      OH2            -5.6109394016        1.8638920317        4.9985475628  SOLV      656             0.0000000000
      3334       659  SWM4      DOH2           -5.5910930993        1.7907570823        5.0625788369  SOLV      656             0.0000000000
      3335       659  SWM4      OM             -5.4839127395        1.8490295012        4.7950555313  SOLV      656             0.0000000000
      3336       659  SWM4      H1             -4.7449198623        2.2306315092        4.8203689600  SOLV      656             0.0000000000
      3337       659  SWM4      H2             -5.8576577454        1.4246923475        4.1846296108  SOLV      656             0.0000000000
      3338       660  SWM4      OH2             1.0980205928        1.4269220277        7.6776575252  SOLV      657             0.0000000000
      3339       660  SWM4      DOH2            1.1031596318        1.4665358338        7.8120910260  SOLV      657             0.0000000000
      3340       660  SWM4      OM              1.0501712916        1.4290184113        7.4421332611  SOLV      657             0.0000000000
      3341       660  SWM4      H1              0.9037322839        0.6791316799        7.1126191225  SOLV      657             0.0000000000
      3342       660  SWM4      H2              1.0590305396        2.1849329334        7.0944497917  SOLV      657             0.0000000000
      3343       661  SWM4      OH2           -12.6571694736        1.5744820304        3.6261375425  SOLV      658             0.0000000000
      3344       661  SWM4      DOH2          -12.7449770996        1.5889806062        3.5601396845  SOLV      658             0.0000000000
      3345       661  SWM4      OM            -12.5538482542        1.5211948919        3.8364966285  SOLV      658             0.0000000000
      3346       661  SWM4      H1            -12.9247096217        1.8607719030        4.4994471856  SOLV      658             0.0000000000
      3347       661  SWM4      H2            -11.8859097158        1.0284023180        3.7783878562  SOLV      658             0.0000000000
      3348       662  SWM4      OH2            14.7216805634       -5.9353979718        9.8585575503  SOLV      659             0.0000000000
      3349       662  SWM4      DOH2           14.7109322686       -5.9334156501        9.8612816684  SOLV      659             0.0000000000
      3350       662  SWM4      OM             14.6090465166       -5.7982877567        9.6964464358  SOLV      659             0.0000000000
      3351       662  SWM4      H1             14.8107898995       -4.9915778227        9.7262675143  SOLV      659             0.0000000000
      3352       662  SWM4      H2             14.0834401085       -6.2107573195        9.2004988889  SOLV      659             0.0000000000
      3353       663  SWM4      OH2             6.9466206103       -2.6162279806       13.4052774954  SOLV      660             0.0000000000
      3354       663  SWM4      DOH2            6.8601847320       -2.5597927345       13.4341880635  SOLV      660             0.0000000000
      3355       663  SWM4      OM              7.0638699226       -2.8152824762       13.3389786567  SOLV      660             0.0000000000
      3356       663  SWM4      H1              6.5771404446       -3.4181761089       13.0357066528  SOLV      660             0.0000000000
      3357       663  SWM4      H2              7.8877309469       -2.7847372424       13.4516186221  SOLV      660             0.0000000000
      3358       664  SWM4      OH2             3.5566706097       -8.9559679237        8.7981575772  SOLV      661             0.0000000000
      3359       664  SWM4      DOH2            3.5330506330       -8.9355618098        8.8604596653  SOLV      661             0.0000000000
      3360       664  SWM4      OM              3.3498062049       -8.9013489520        8.6886606083  SOLV      661             0.0000000000
      3361       664  SWM4      H1              3.1090106066       -8.1100998042        8.7798078248  SOLV      661             0.0000000000
      3362       664  SWM4      H2              2.9957892098       -9.5355480871        8.2826691407  SOLV      661             0.0000000000
      3363       665  SWM4      OH2             4.2672806089       -6.7940079438       10.9239575522  SOLV      662             0.0000000000
      3364       665  SWM4      DOH2            4.1341796053       -6.7709804626       10.9816747759  SOLV      662             0.0000000000
      3365       665  SWM4      OM              4.4623680109       -6.9335211831       10.9083807339  SOLV      662             0.0000000000
      3366       665  SWM4      H1              4.4806283388       -7.5638457685       11.4512561177  SOLV      662             0.0000000000
      3367       665  SWM4      H2              5.0050402557       -6.7043367639       10.3207170380  SOLV      662             0.0000000000
      3368       666  SWM4      OH2            14.4723806092        1.3628820242       11.7909276053  SOLV      663             0.0000000000
      3369       666  SWM4      DOH2           14.4371516978        1.4141749844       11.7373236039  SOLV      663             0.0000000000
      3370       666  SWM4      OM             14.5567604361        1.1794171926       11.9212592317  SOLV      663             0.0000000000
      3371       666  SWM4      H1             15.0920196999        0.6863524912       11.5178463598  SOLV      663             0.0000000000
      3372       666  SWM4      H2             14.2641192023        1.1449637459       12.6994159742  SOLV      663             0.0000000000
      3373       667  SWM4      OH2            12.0442505256       -4.2481879714       13.6834775993  SOLV      664             0.0000000000
      3374       667  SWM4      DOH2           11.9878572830       -4.1369087435       13.6810512468  SOLV      664             0.0000000000
      3375       667  SWM4      OM             12.2545313272       -4.3644853378       13.6882380234  SOLV      664             0.0000000000
      3376       667  SWM4      H1             12.3480399714       -4.9340460838       13.0888869792  SOLV      664             0.0000000000
      3377       667  SWM4      H2             12.7656493950       -4.1293180372       14.3012769755  SOLV      664             0.0000000000
      3378       668  SWM4      OH2            15.1849505095       -9.8539479403       14.0109575446  SOLV      665             0.0000000000
      3379       668  SWM4      DOH2           15.1989752538       -9.8984361578       14.0184688145  SOLV      665             0.0000000000
      3380       668  SWM4      OM             15.1924352094      -10.0055929517       13.8246420482  SOLV      665             0.0000000000
      3381       668  SWM4      H1             15.3275403387      -10.8002474173       14.0311177619  SOLV      665             0.0000000000
      3382       668  SWM4      H2             15.0788503303       -9.6469679703       13.0824471059  SOLV      665             0.0000000000
      3383       669  SWM4      OH2             8.3397805611      -11.7523079416       11.2834375728  SOLV      666             0.0000000000
      3384       669  SWM4      DOH2            8.3298126346      -11.7692975526       11.3628453403  SOLV      666             0.0000000000
      3385       669  SWM4      OM              8.2547655752      -11.6892727294       11.0676490598  SOLV      666             0.0000000000
      3386       669  SWM4      H1              8.3828907541      -10.8924587179       10.8650687014  SOLV      666             0.0000000000
      3387       669  SWM4      H2              7.8821910929      -12.3048371549       10.6497590409  SOLV      666             0.0000000000
      3388       670  SWM4      OH2             4.9599306252       -9.3557279928       12.0455775610  SOLV      667             0.0000000000
      3389       670  SWM4      DOH2            4.8740909942       -9.3334074108       12.0736822125  SOLV      667             0.0000000000
      3390       670  SWM4      OM              5.0989145444       -9.5247286029       11.9461396689  SOLV      667             0.0000000000
      3391       670  SWM4      H1              5.6135898045       -9.9055573381       12.4775887029  SOLV      667             0.0000000000
      3392       670  SWM4      H2              4.9838594595       -9.6298268778       11.1287771702  SOLV      667             0.0000000000
      3393       671  SWM4      OH2            10.1163806030       -7.8055979937       11.2607275561  SOLV      668             0.0000000000
      3394       671  SWM4      DOH2           10.0357650547       -7.7793965949       11.2088471057  SOLV      668             0.0000000000
      3395       671  SWM4      OM             10.1225297948       -8.0448828680       11.2824205992  SOLV      668             0.0000000000
      3396       671  SWM4      H1             10.7324790354       -8.3320580820       11.7701272680  SOLV      668             0.0000000000
      3397       671  SWM4      H2              9.5302613499       -8.4457253169       10.8570881509  SOLV      668             0.0000000000
      3398       672  SWM4      OH2             7.1499705842      -12.8344679015       15.3575175707  SOLV      669             0.0000000000
      3399       672  SWM4      DOH2            7.1602151077      -12.8002727669       15.3644157761  SOLV      669             0.0000000000
      3400       672  SWM4      OM              6.9680852758      -12.6792746068       15.3330555514  SOLV      669             0.0000000000
      3401       672  SWM4      H1              6.9311397575      -12.3044082509       14.5911182290  SOLV      669             0.0000000000
      3402       672  SWM4      H2              6.4820604726      -12.6079169895       16.0046581800  SOLV      669             0.0000000000
      3403       673  SWM4      OH2            14.5189506054       -3.3343579687        8.9014275080  SOLV      670             0.0000000000
      3404       673  SWM4      DOH2           14.5626348833       -3.3618388179        8.8958684644  SOLV      670             0.0000000000
      3405       673  SWM4      OM             14.3918398385       -3.2160279888        8.7352754461  SOLV      670             0.0000000000
      3406       673  SWM4      H1             14.2234607169       -3.6571288113        8.0501175697  SOLV      670             0.0000000000
      3407       673  SWM4      H2             14.1947312610       -2.4346869527        8.9426874916  SOLV      670             0.0000000000
      3408       674  SWM4      OH2             9.7191105570       -5.1588980022       15.6448875933  SOLV      671             0.0000000000
      3409       674  SWM4      DOH2            9.6516081969       -5.2189533814       15.6610188888  SOLV      671             0.0000000000
      3410       674  SWM4      OM              9.7137489190       -4.9225847300       15.6013787780  SOLV      671             0.0000000000
      3411       674  SWM4      H1              8.9790211653       -4.5607483239       15.7484077988  SOLV      671             0.0000000000
      3412       674  SWM4      H2             10.4330597874       -4.6049378037       15.3292468098  SOLV      671             0.0000000000
      3413       675  SWM4      OH2             6.7437006035      -10.9422879505       13.3097376111  SOLV      672             0.0000000000
      3414       675  SWM4      DOH2            6.6431206408      -10.8730394772       13.3000611020  SOLV      672             0.0000000000
      3415       675  SWM4      OM              6.9745987301      -10.9094162111       13.2516757803  SOLV      672             0.0000000000
      3416       675  SWM4      H1              7.3573293320      -10.3095284640       13.6829778252  SOLV      672             0.0000000000
      3417       675  SWM4      H2              7.2557704215      -11.4147875305       12.6534290197  SOLV      672             0.0000000000
      3418       676  SWM4      OH2             4.2476305864       -3.5238079706        7.2139675830  SOLV      673             0.0000000000
      3419       676  SWM4      DOH2            4.2317293883       -3.5783692894        7.2041724468  SOLV      673             0.0000000000
      3420       676  SWM4      OM              4.2012050075       -3.3049543013        7.1261414831  SOLV      673             0.0000000000
      3421       676  SWM4      H1              3.9757220856       -3.2947079032        6.3252586188  SOLV      673             0.0000000000
      3422       676  SWM4      H2              4.2932001450       -2.6859284823        7.6744973713  SOLV      673             0.0000000000
      3423       677  SWM4      OH2            11.1764405937      -15.5289579598       12.8100076031  SOLV      674             0.0000000000
      3424       677  SWM4      DOH2           11.1679810155      -15.5201865916       12.7722239561  SOLV      674             0.0000000000
      3425       677  SWM4      OM             10.9769527815      -15.6552655008       12.8549153189  SOLV      674             0.0000000000
      3426       677  SWM4      H1             11.0588606403      -16.4773579513       12.7558380942  SOLV      674             0.0000000000
      3427       677  SWM4      H2             10.3214524516      -15.1963486566       13.0831173622  SOLV      674             0.0000000000
      3428       678  SWM4      OH2            13.4429305077       -6.6913979586        7.3105875520  SOLV      675             0.0000000000
      3429       678  SWM4      DOH2           13.4465891086       -6.7354492669        7.3595513635  SOLV      675             0.0000000000
      3430       678  SWM4      OM             13.4387277040       -6.5703425864        7.1029975942  SOLV      675             0.0000000000
      3431       678  SWM4      H1             12.7314794105       -6.1564285325        6.9586378099  SOLV      675             0.0000000000
      3432       678  SWM4      H2             14.1338909119       -6.6361878726        6.6504768552  SOLV      675             0.0000000000
      3433       679  SWM4      OH2            13.4968505902       -8.2339679622        4.3490875330  SOLV      676             0.0000000000
      3434       679  SWM4      DOH2           13.5727494848       -8.1906699125        4.3142764280  SOLV      676             0.0000000000
      3435       679  SWM4      OM             13.7026372300       -8.3581316780        4.3481297364  SOLV      676             0.0000000000
      3436       679  SWM4      H1             14.1978399667       -8.2112777462        5.0004885765  SOLV      676             0.0000000000
      3437       679  SWM4      H2             13.7991406315       -8.8619982444        3.6930167119  SOLV      676             0.0000000000
      3438       680  SWM4      OH2             8.4940705919       -5.8514479558       10.1446776353  SOLV      677             0.0000000000
      3439       680  SWM4      DOH2            8.5057256541       -5.7147613616       10.1648973154  SOLV      677             0.0000000000
      3440       680  SWM4      OM              8.5469755916       -6.0650244240       10.0479724617  SOLV      677             0.0000000000
      3441       680  SWM4      H1              8.1635906600       -6.2221063352        9.3263775582  SOLV      677             0.0000000000
      3442       680  SWM4      H2              9.0824804473       -6.5220470554       10.4915076506  SOLV      677             0.0000000000
      3443       681  SWM4      OH2             9.8608205701       -2.4233879654       12.8258975663  SOLV      678             0.0000000000
      3444       681  SWM4      DOH2            9.8189354323       -2.4163402689       12.7949833928  SOLV      678             0.0000000000
      3445       681  SWM4      OM              9.9909630054       -2.6182698026       12.7725147945  SOLV      678             0.0000000000
      3446       681  SWM4      H1              9.7659513667       -3.0020764346       12.0693563923  SOLV      678             0.0000000000
      3447       681  SWM4      H2             10.5901804921       -2.7948174383       13.3221787608  SOLV      678             0.0000000000
      3448       682  SWM4      OH2             8.8606205113       -7.0828879676       13.7781775925  SOLV      679             0.0000000000
      3449       682  SWM4      DOH2            8.7902968413       -7.1030169633       13.7839360049  SOLV      679             0.0000000000
      3450       682  SWM4      OM              9.0419687400       -6.9272236578       13.7527374351  SOLV      679             0.0000000000
      3451       682  SWM4      H1              9.4258687796       -6.9614677493       13.0152969576  SOLV      679             0.0000000000
      3452       682  SWM4      H2              9.1795095319       -6.4453880981       14.4170285551  SOLV      679             0.0000000000
      3453       683  SWM4      OH2            15.1698405631       -1.5796979808       14.5122275241  SOLV      680             0.0000000000
      3454       683  SWM4      DOH2           15.1710027787       -1.6075843094       14.4958235030  SOLV      680             0.0000000000
      3455       683  SWM4      OM             15.0798934462       -1.6150126292       14.7322913851  SOLV      680             0.0000000000
      3456       683  SWM4      H1             14.9294996360       -0.9173882287       15.1601470569  SOLV      680             0.0000000000
      3457       683  SWM4      H2             14.9716610590       -2.4141776735       14.9371872051  SOLV      680             0.0000000000
      3458       684  SWM4      OH2            13.4461405960       -0.5829279749        9.3826076020  SOLV      681             0.0000000000
      3459       684  SWM4      DOH2           13.4899009026       -0.5978237584        9.3765201740  SOLV      681             0.0000000000
      3460       684  SWM4      OM             13.4278220648       -0.3708847128        9.4942666511  SOLV      681             0.0000000000
      3461       684  SWM4      H1             13.9199007686       -0.2872990666       10.1600269341  SOLV      681             0.0000000000
      3462       684  SWM4      H2             12.8830710309        0.1552315691        9.1495673066  SOLV      681             0.0000000000
      3463       685  SWM4      OH2             7.4843405913       -6.7820179564        7.7339575296  SOLV      682             0.0000000000
      3464       685  SWM4      DOH2            7.4429641831       -6.8501101380        7.8092119595  SOLV      682             0.0000000000
      3465       685  SWM4      OM              7.2861288257       -6.7597035541        7.5998686770  SOLV      682             0.0000000000
      3466       685  SWM4      H1              7.1924704016       -6.0138475539        7.2430875619  SOLV      682             0.0000000000
      3467       685  SWM4      H2              6.8098605036       -7.4413977341        7.5710982852  SOLV      682             0.0000000000
      3468       686  SWM4      OH2             3.3276205739       -1.6387179755       13.4329575504  SOLV      683             0.0000000000
      3469       686  SWM4      DOH2            3.3507371194       -1.5822849738       13.4569965472  SOLV      683             0.0000000000
      3470       686  SWM4      OM              3.4986233725       -1.5074482028       13.5392213449  SOLV      683             0.0000000000
      3471       686  SWM4      H1              4.2736812730       -1.7830166871       13.4139074767  SOLV      683             0.0000000000
      3472       686  SWM4      H2              3.2152514268       -0.8544385156       13.9700760110  SOLV      683             0.0000000000
      3473       687  SWM4      OH2            12.9184506005        2.3735420242        7.7975275784  SOLV      684             0.0000000000
      3474       687  SWM4      DOH2           12.9572734921        2.3319805716        7.8720849223  SOLV      684             0.0000000000
      3475       687  SWM4      OM             12.9097267739        2.5433765944        7.6276870330  SOLV      684             0.0000000000
      3476       687  SWM4      H1             12.8430499086        2.2522624627        6.8510489479  SOLV      684             0.0000000000
      3477       687  SWM4      H2             12.9513201880        3.3228105341        7.9159884792  SOLV      684             0.0000000000
      3478       688  SWM4      OH2             6.5718306076        1.1622420259        9.5784276184  SOLV      685             0.0000000000
      3479       688  SWM4      DOH2            6.4957623412        1.2788173432        9.4835704912  SOLV      685             0.0000000000
      3480       688  SWM4      OM              6.4284718222        1.0177942316        9.7062898195  SOLV      685             0.0000000000
      3481       688  SWM4      H1              6.7238718950        0.8142829786       10.4570778876  SOLV      685             0.0000000000
      3482       688  SWM4      H2              5.7208714079        0.8059738407        9.3231452947  SOLV      685             0.0000000000
      3483       689  SWM4      OH2            15.6888605414        1.4532720284        7.5489875390  SOLV      686             0.0000000000
      3484       689  SWM4      DOH2           15.7030811333        1.4456337334        7.5149511170  SOLV      686             0.0000000000
      3485       689  SWM4      OM             15.5545454468        1.3283140281        7.7042634754  SOLV      686             0.0000000000
      3486       689  SWM4      H1             14.7538419907        1.5534625595        7.7276866605  SOLV      686             0.0000000000
      3487       689  SWM4      H2             15.9690510419        0.7438724395        8.1273065206  SOLV      686             0.0000000000
      3488       690  SWM4      OH2             8.4452005661      -14.6255079679       13.5876376223  SOLV      687             0.0000000000
      3489       690  SWM4      DOH2            8.3992994051      -14.6075764187       13.5720494143  SOLV      687             0.0000000000
      3490       690  SWM4      OM              8.2638700776      -14.4678120792       13.5917499910  SOLV      687             0.0000000000
      3491       690  SWM4      H1              7.5835723508      -14.7126868932       13.1799280105  SOLV      687             0.0000000000
      3492       690  SWM4      H2              8.4227701457      -13.7694983022       14.0153971985  SOLV      687             0.0000000000
      3493       691  SWM4      OH2            12.7697105879      -12.4111279494        4.2474175499  SOLV      688             0.0000000000
      3494       691  SWM4      DOH2           12.7852017968      -12.3520829944        4.2035837696  SOLV      688             0.0000000000
      3495       691  SWM4      OM             12.6650379167      -12.5859480295        4.3748823711  SOLV      688             0.0000000000
      3496       691  SWM4      H1             12.5161910675      -12.3919666172        5.1702260157  SOLV      688             0.0000000000
      3497       691  SWM4      H2             12.5129206203      -13.2825871941        3.9460363921  SOLV      688             0.0000000000
      3498       692  SWM4      OH2             8.5331205366       -9.4390479929        9.5946575290  SOLV      689             0.0000000000
      3499       692  SWM4      DOH2            8.5528392571       -9.3677030710        9.5875489357  SOLV      689             0.0000000000
      3500       692  SWM4      OM              8.4424494376       -9.5861772050        9.4276325316  SOLV      689             0.0000000000
      3501       692  SWM4      H1              7.6404121803       -9.7794382897        9.5360381451  SOLV      689             0.0000000000
      3502       692  SWM4      H2              8.9837796009       -9.8159570802        8.8389799241  SOLV      689             0.0000000000
      3503       693  SWM4      OH2            14.0686705678       -9.0230179548        8.4117375961  SOLV      690             0.0000000000
      3504       693  SWM4      DOH2           14.0561722954       -9.1517998632        8.4650455717  SOLV      690             0.0000000000
      3505       693  SWM4      OM             14.1325935384       -8.8845947482        8.2259458356  SOLV      690             0.0000000000
      3506       693  SWM4      H1             13.6597003180       -8.2081583927        8.1202179722  SOLV      690             0.0000000000
      3507       693  SWM4      H2             14.7892909295       -9.1630085629        7.7974478338  SOLV      690             0.0000000000
      3508       694  SWM4      OH2            15.0734405288       -9.5769780247       11.2257074724  SOLV      691             0.0000000000
      3509       694  SWM4      DOH2           15.1012591599       -9.6197791550       11.3016757814  SOLV      691             0.0000000000
      3510       694  SWM4      OM             15.0705097375       -9.6237031960       10.9899666966  SOLV      691             0.0000000000
      3511       694  SWM4      H1             14.8778917507       -8.9712984472       10.5107677819  SOLV      691             0.0000000000
      3512       694  SWM4      H2             15.2547005077      -10.4104575399       10.7913381688  SOLV      691             0.0000000000
      3513       695  SWM4      OH2             9.6520005987      -11.9654780074        3.3484575591  SOLV      692             0.0000000000
      3514       695  SWM4      DOH2            9.8157626972      -11.9499947943        3.3833527398  SOLV      692             0.0000000000
      3515       695  SWM4      OM              9.4163117307      -11.9805252693        3.3930672575  SOLV      692             0.0000000000
      3516       695  SWM4      H1              9.2210723930      -12.4104687574        4.0781951163  SOLV      692             0.0000000000
      3517       695  SWM4      H2              8.9338713211      -11.5938478497        2.8362055959  SOLV      692             0.0000000000
      3518       696  SWM4      OH2             2.8943405785      -12.2235279463       10.4003275351  SOLV      693             0.0000000000
      3519       696  SWM4      DOH2            2.8127957665      -12.2379000533       10.3228319975  SOLV      693             0.0000000000
      3520       696  SWM4      OM              3.1159072450      -12.3166343861       10.3980673691  SOLV      693             0.0000000000
      3521       696  SWM4      H1              3.5251100071      -12.2523175678       11.1197178752  SOLV      693             0.0000000000
      3522       696  SWM4      H2              3.3437692750      -12.6486574983        9.6699182412  SOLV      693             0.0000000000
      3523       697  SWM4      OH2            11.1146505193      -12.0112979249       10.6810675470  SOLV      694             0.0000000000
      3524       697  SWM4      DOH2           11.1084615153      -12.0559952419       10.6534163069  SOLV      694             0.0000000000
      3525       697  SWM4      OM             11.0314566950      -12.0120713469       10.9065533682  SOLV      694             0.0000000000
      3526       697  SWM4      H1             10.2037615352      -11.9546175097       10.9696675901  SOLV      694             0.0000000000
      3527       697  SWM4      H2             11.6199409992      -12.0717486815       11.4917874318  SOLV      694             0.0000000000
      3528       698  SWM4      OH2             5.9429905641      -10.3826679418        9.5078276086  SOLV      695             0.0000000000
      3529       698  SWM4      DOH2            5.9075225732      -10.3418264469        9.5607472190  SOLV      695             0.0000000000
      3530       698  SWM4      OM              5.8214178481      -10.5348934497        9.3670682487  SOLV      695             0.0000000000
      3531       698  SWM4      H1              5.0537925174      -10.2831188523        9.1677894393  SOLV      695             0.0000000000
      3532       698  SWM4      H2              6.2394815088      -11.2243666956        9.1616178637  SOLV      695             0.0000000000
      3533       699  SWM4      OH2             9.5961706048      -10.3824079379        7.1642875913  SOLV      696             0.0000000000
      3534       699  SWM4      DOH2            9.5049463481      -10.3374508154        7.1981529458  SOLV      696             0.0000000000
      3535       699  SWM4      OM              9.7431514770      -10.2186386037        7.0676342012  SOLV      696             0.0000000000
      3536       699  SWM4      H1             10.5277206249      -10.2534086809        7.3425984193  SOLV      696             0.0000000000
      3537       699  SWM4      H2              9.3812006962       -9.7129778125        6.5147608109  SOLV      696             0.0000000000
      3538       700  SWM4      OH2            15.5198405900      -12.7766680094       13.9452475450  SOLV      697             0.0000000000
      3539       700  SWM4      DOH2           15.5433594453      -12.7809846730       13.9648544070  SOLV      697             0.0000000000
      3540       700  SWM4      OM             15.2814250537      -12.7815373904       13.9152475812  SOLV      697             0.0000000000
      3541       700  SWM4      H1             14.8430016817      -12.6453583589       14.6092180566  SOLV      697             0.0000000000
      3542       700  SWM4      H2             15.0343316715      -12.9317176918       13.1350181562  SOLV      697             0.0000000000
      3543       701  SWM4      OH2             8.2701905919       -9.1881880475        4.7308975698  SOLV      698             0.0000000000
      3544       701  SWM4      DOH2            8.2179548190       -9.1173357889        4.7991472455  SOLV      698             0.0000000000
      3545       701  SWM4      OM              8.3298799093       -9.2261651123        4.5012008143  SOLV      698             0.0000000000
      3546       701  SWM4      H1              7.7277010104       -9.5678064679        4.0396600522  SOLV      698             0.0000000000
      3547       701  SWM4      H2              9.1036800131       -8.9937172157        4.3023085778  SOLV      698             0.0000000000
      3548       702  SWM4      OH2             7.4365906104      -13.0873879564        8.9865075869  SOLV      699             0.0000000000
      3549       702  SWM4      DOH2            7.4264374181      -13.0656921043        9.0467665658  SOLV      699             0.0000000000
      3550       702  SWM4      OM              7.5318365658      -13.2721395736        8.8658396478  SOLV      699             0.0000000000
      3551       702  SWM4      H1              7.1195403085      -13.9898573987        8.9510476854  SOLV      699             0.0000000000
      3552       702  SWM4      H2              8.2179989727      -13.0856489225        8.4336683452  SOLV      699             0.0000000000
      3553       703  SWM4      OH2            11.0612105853      -10.8353879398       14.9820675863  SOLV      700             0.0000000000
      3554       703  SWM4      DOH2           11.0123451715      -10.8453036804       15.0436285666  SOLV      700             0.0000000000
      3555       703  SWM4      OM             10.9973358270      -10.6856957921       15.1589231841  SOLV      700             0.0000000000
      3556       703  SWM4      H1             10.2257405479      -10.3814383697       15.0923082157  SOLV      700             0.0000000000
      3557       703  SWM4      H2             11.5852695854      -10.5595380041       15.7340574870  SOLV      700             0.0000000000
      3558       704  SWM4      OH2            11.6054705490       -4.6226179737        6.6667075727  SOLV      701             0.0000000000
      3559       704  SWM4      DOH2           11.6240895001       -4.6834101643        6.5865197511  SOLV      701             0.0000000000
      3560       704  SWM4      OM             11.4251401604       -4.7166970416        6.7947533105  SOLV      701             0.0000000000
      3561       704  SWM4      H1             10.8605720645       -5.1300871791        6.3444990458  SOLV      701             0.0000000000
      3562       704  SWM4      H2             11.4711901032       -4.5738199993        7.6131879017  SOLV      701             0.0000000000
      3563       705  SWM4      OH2            15.5031505530      -11.8086279927        4.8659675655  SOLV      702             0.0000000000
      3564       705  SWM4      DOH2           15.5183448751      -11.7941442267        4.8710620107  SOLV      702             0.0000000000
      3565       705  SWM4      OM             15.3715966186      -11.6100264473        4.8978527116  SOLV      702             0.0000000000
      3566       705  SWM4      H1             14.5645725200      -11.6970691362        4.7148489332  SOLV      702             0.0000000000
      3567       705  SWM4      H2             15.8003596063      -10.9519394145        5.1725370058  SOLV      702             0.0000000000
      3568       706  SWM4      OH2             6.7303005893       -5.3276179739       12.4364975347  SOLV      703             0.0000000000
      3569       706  SWM4      DOH2            6.7852026396       -5.2989185559       12.4608830820  SOLV      703             0.0000000000
      3570       706  SWM4      OM              6.8989818930       -5.4970525911       12.4119170123  SOLV      703             0.0000000000
      3571       706  SWM4      H1              7.4750183790       -5.3300475023       11.8351492068  SOLV      703             0.0000000000
      3572       706  SWM4      H2              6.8079589731       -6.1512378853       12.9180078734  SOLV      703             0.0000000000
      3573       707  SWM4      OH2            13.7308806664       -3.1641879803        5.6921675573  SOLV      704             0.0000000000
      3574       707  SWM4      DOH2           13.6844955394       -3.2179281034        5.5823502674  SOLV      704             0.0000000000
      3575       707  SWM4      OM             13.5261430297       -3.1216304271        5.8106459455  SOLV      704             0.0000000000
      3576       707  SWM4      H1             13.4357215916       -2.3373966241        6.0736481568  SOLV      704             0.0000000000
      3577       707  SWM4      H2             13.0278807540       -3.7834977531        5.8883058228  SOLV      704             0.0000000000
      3578       708  SWM4      OH2             9.1052405268       -1.8097979764        9.8406476349  SOLV      705             0.0000000000
      3579       708  SWM4      DOH2            9.2583676008       -1.8353875512        9.8190462367  SOLV      705             0.0000000000
      3580       708  SWM4      OM              9.0328487418       -1.6050188905        9.7377367125  SOLV      705             0.0000000000
      3581       708  SWM4      H1              9.6324596505       -1.0363597594        9.6405268542  SOLV      705             0.0000000000
      3582       708  SWM4      H2              8.2250890981       -1.5848780595        9.5390478024  SOLV      705             0.0000000000
      3583       709  SWM4      OH2             4.8600106076       -6.9473879634        4.4278875711  SOLV      706             0.0000000000
      3584       709  SWM4      DOH2            5.0126712696       -6.9226420472        4.3901448647  SOLV      706             0.0000000000
      3585       709  SWM4      OM              4.8096039327       -6.7540284197        4.5614425075  SOLV      706             0.0000000000
      3586       709  SWM4      H1              5.4760006133       -6.3206682395        4.8073680137  SOLV      706             0.0000000000
      3587       709  SWM4      H2              3.9982692740       -6.6314082634        4.6995370147  SOLV      706             0.0000000000
      3588       710  SWM4      OH2            10.5324705808       -4.1468079907        9.4170776018  SOLV      707             0.0000000000
      3589       710  SWM4      DOH2           10.5832737268       -4.1719848141        9.3780605876  SOLV      707             0.0000000000
      3590       710  SWM4      OM             10.3311263971       -4.0511093694        9.5068993847  SOLV      707             0.0000000000
      3591       710  SWM4      H1             10.2914710489       -3.2213668294        9.4586070853  SOLV      707             0.0000000000
      3592       710  SWM4      H2              9.7918304227       -4.6056768478        9.8134684349  SOLV      707             0.0000000000
      3593       711  SWM4      OH2            11.0471305558        0.0025520257       15.7321875682  SOLV      708             0.0000000000
      3594       711  SWM4      DOH2           10.9951027706       -0.0139136033       15.7490872273  SOLV      708             0.0000000000
      3595       711  SWM4      OM             11.2305028813        0.1179752668       15.8361961027  SOLV      708             0.0000000000
      3596       711  SWM4      H1             11.4096002372        0.8571104781       15.4986271660  SOLV      708             0.0000000000
      3597       711  SWM4      H2             11.5786492460       -0.2892875865       16.4728172142  SOLV      708             0.0000000000
      3598       712  SWM4      OH2             9.2155505522        0.8749520263        8.9622975002  SOLV      709             0.0000000000
      3599       712  SWM4      DOH2            9.2305089894        0.9116934873        8.8069978839  SOLV      709             0.0000000000
      3600       712  SWM4      OM              9.0928632907        1.0649869392        9.0435394230  SOLV      709             0.0000000000
      3601       712  SWM4      H1              8.2656019527        0.9806924164        9.0136268881  SOLV      709             0.0000000000
      3602       712  SWM4      H2              9.5673602592        1.6956911874        9.3070472139  SOLV      709             0.0000000000
      3603       713  SWM4      OH2            14.5912105478       -3.8983779831       15.4327475310  SOLV      710             0.0000000000
      3604       713  SWM4      DOH2           14.6366035648       -3.8295846000       15.4094106322  SOLV      710             0.0000000000
      3605       713  SWM4      OM             14.6229440817       -4.0966539152       15.5648283314  SOLV      710             0.0000000000
      3606       713  SWM4      H1             14.1653405933       -4.1262081601       16.2591472156  SOLV      710             0.0000000000
      3607       713  SWM4      H2             15.1717896834       -4.6371974214       15.2502777282  SOLV      710             0.0000000000
      3608       714  SWM4      OH2            10.8848805497       -1.8577179682        2.9536475534  SOLV      711             0.0000000000
      3609       714  SWM4      DOH2           10.9286439687       -1.8321556177        2.9798617649  SOLV      711             0.0000000000
      3610       714  SWM4      OM             10.8787496146       -2.0907303669        3.0122421009  SOLV      711             0.0000000000
      3611       714  SWM4      H1             11.1238608159       -2.6059055477        2.4065382507  SOLV      711             0.0000000000
      3612       714  SWM4      H2             10.6160092817       -2.2455477173        3.7864257312  SOLV      711             0.0000000000
      3613       715  SWM4      OH2             9.8219406255       -2.2873379700        5.4099076140  SOLV      712             0.0000000000
      3614       715  SWM4      DOH2            9.6779219453       -2.1392102166        5.3693658121  SOLV      712             0.0000000000
      3615       715  SWM4      OM              9.8514709562       -2.2080114081        5.6348539692  SOLV      712             0.0000000000
      3616       715  SWM4      H1              9.9687399966       -2.8073585014        6.1999986549  SOLV      712             0.0000000000
      3617       715  SWM4      H2              9.8191104540       -1.3805771204        5.7164964288  SOLV      712             0.0000000000
      3618       716  SWM4      OH2             6.2750505598       -5.0350079683        5.9204475471  SOLV      713             0.0000000000
      3619       716  SWM4      DOH2            6.3445938181       -5.1327851274        5.9842308733  SOLV      713             0.0000000000
      3620       716  SWM4      OM              6.2415593571       -4.8062613555        5.9861666322  SOLV      713             0.0000000000
      3621       716  SWM4      H1              5.5889825113       -4.6827610235        6.4874174779  SOLV      713             0.0000000000
      3622       716  SWM4      H2              6.7978390459       -4.2720491608        5.6738771238  SOLV      713             0.0000000000
      3623       717  SWM4      OH2            14.8910505865      -12.7204579879        7.2965775824  SOLV      714             0.0000000000
      3624       717  SWM4      DOH2           14.8666461038      -12.6884337354        7.3661353218  SOLV      714             0.0000000000
      3625       717  SWM4      OM             15.0506751268      -12.5428712818        7.2692157656  SOLV      714             0.0000000000
      3626       717  SWM4      H1             15.1108803247      -12.2489176791        6.4931194743  SOLV      714             0.0000000000
      3627       717  SWM4      H2             15.4494493992      -12.3261971476        7.9666371243  SOLV      714             0.0000000000
      3628       718  SWM4      OH2            12.5596605521       -0.5899779762        6.1593275692  SOLV      715             0.0000000000
      3629       718  SWM4      DOH2           12.5868660942       -0.6747305946        6.1595785900  SOLV      715             0.0000000000
      3630       718  SWM4      OM             12.5008420141       -0.3905408563        6.0387834304  SOLV      715             0.0000000000
      3631       718  SWM4      H1             11.7432705161       -0.0930081549        6.2117578221  SOLV      715             0.0000000000
      3632       718  SWM4      H2             13.0892914381       -0.1146289612        5.5192063843  SOLV      715             0.0000000000
      3633       719  SWM4      OH2            12.0910406018      -10.9925779833        8.1314175562  SOLV      716             0.0000000000
      3634       719  SWM4      DOH2           12.0127593561      -10.9517005787        8.1104297900  SOLV      716             0.0000000000
      3635       719  SWM4      OM             12.2074535293      -10.9188834405        8.3283511139  SOLV      716             0.0000000000
      3636       719  SWM4      H1             12.9032999425      -10.4882583288        8.1775881036  SOLV      716             0.0000000000
      3637       719  SWM4      H2             11.8463403306      -11.1376076484        9.0453758439  SOLV      716             0.0000000000
      3638       720  SWM4      OH2            12.9747105842      -13.9112779444        9.0695275209  SOLV      717             0.0000000000
      3639       720  SWM4      DOH2           12.9361159601      -13.9467268739        9.0757671695  SOLV      717             0.0000000000
      3640       720  SWM4      OM             13.0387143747      -13.6820365474        9.1029572674  SOLV      717             0.0000000000
      3641       720  SWM4      H1             12.6280610464      -13.2942182953        9.7139568449  SOLV      717             0.0000000000
      3642       720  SWM4      H2             13.6334002327      -13.4107080930        8.5880793947  SOLV      717             0.0000000000
      3643       721  SWM4      OH2             9.8979706183        0.4537420248        6.1410175503  SOLV      718             0.0000000000
      3644       721  SWM4      DOH2            9.8763124233        0.4542913790        6.1088460371  SOLV      718             0.0000000000
      3645       721  SWM4      OM              9.8905149009        0.6806694412        6.2198467774  SOLV      718             0.0000000000
      3646       721  SWM4      H1             10.0588410857        1.2534907593        5.6402772530  SOLV      718             0.0000000000
      3647       721  SWM4      H2              9.7007515256        0.7603406034        7.0260766512  SOLV      718             0.0000000000
      3648       722  SWM4      OH2             8.6324106353      -12.8483379383        5.7567775581  SOLV      719             0.0000000000
      3649       722  SWM4      DOH2            8.6294008628      -12.8722931810        5.8061935250  SOLV      719             0.0000000000
      3650       722  SWM4      OM              8.7978375552      -12.7205556459        5.8753997887  SOLV      719             0.0000000000
      3651       722  SWM4      H1              8.5488900470      -11.9600282541        6.1034176746  SOLV      719             0.0000000000
      3652       722  SWM4      H2              9.5224400772      -13.1136682532        5.9884585861  SOLV      719             0.0000000000
      3653       723  SWM4      OH2             6.8909405963       -2.4211179716        4.8172275515  SOLV      720             0.0000000000
      3654       723  SWM4      DOH2            6.9001571967       -2.4499558526        4.9017770750  SOLV      720             0.0000000000
      3655       723  SWM4      OM              7.1066062425       -2.3664697440        4.7263014019  SOLV      720             0.0000000000
      3656       723  SWM4      H1              7.4830907252       -1.7216385008        5.0934675746  SOLV      720             0.0000000000
      3657       723  SWM4      H2              7.3502394164       -2.8541672565        4.0976894862  SOLV      720             0.0000000000
      3658       724  SWM4      OH2             6.0150606218      -14.9751579814       12.6062676393  SOLV      721             0.0000000000
      3659       724  SWM4      DOH2            6.0169887196      -14.8805770659       12.6491816420  SOLV      721             0.0000000000
      3660       724  SWM4      OM              5.8772892824      -15.1253428211       12.4788732590  SOLV      721             0.0000000000
      3661       724  SWM4      H1              5.7860412399      -14.9159078741       11.6787690292  SOLV      721             0.0000000000
      3662       724  SWM4      H2              5.5723999266      -15.7666084685       12.9126779539  SOLV      721             0.0000000000
      3663       725  SWM4      OH2             4.9453905657       -1.0344479774        8.7668475448  SOLV      722             0.0000000000
      3664       725  SWM4      DOH2            5.0342116191       -1.0318134965        8.8171852427  SOLV      722             0.0000000000
      3665       725  SWM4      OM              4.8866647264       -0.8330197009        8.6496144768  SOLV      722             0.0000000000
      3666       725  SWM4      H1              4.1132522016       -0.5621797649        8.7939872251  SOLV      722             0.0000000000
      3667       725  SWM4      H2              5.4912212499       -0.5246868055        8.1681576680  SOLV      722             0.0000000000
      3668       726  SWM4      OH2            12.9230606463        0.0054220275        3.0922475719  SOLV      723             0.0000000000
      3669       726  SWM4      DOH2           12.8909362984        0.1219632135        3.1205186510  SOLV      723             0.0000000000
      3670       726  SWM4      OM             12.9472499444       -0.2329933124        3.1106507034  SOLV      723             0.0000000000
      3671       726  SWM4      H1             12.2791603603       -0.6257160108        3.4136190312  SOLV      723             0.0000000000
      3672       726  SWM4      H2             13.6848906104       -0.5257774687        2.8605963942  SOLV      723             0.0000000000
      3673       727  SWM4      OH2             8.4820806360       -4.2680979769        3.1835375622  SOLV      724             0.0000000000
      3674       727  SWM4      DOH2            8.4943715888       -4.2098392504        3.1607536554  SOLV      724             0.0000000000
      3675       727  SWM4      OM              8.6292152385       -4.4553179269        3.1508919777  SOLV      724             0.0000000000
      3676       727  SWM4      H1              8.5464911806       -5.0621371356        3.7141783376  SOLV      724             0.0000000000
      3677       727  SWM4      H2              9.1349999572       -4.3868172841        2.4937393293  SOLV      724             0.0000000000
      3678       728  SWM4      OH2            13.8344206261       -3.2209279629        2.9193375541  SOLV      725             0.0000000000
      3679       728  SWM4      DOH2           13.8635686626       -3.1667852805        2.9206341814  SOLV      725             0.0000000000
      3680       728  SWM4      OM             13.7369846230       -3.3737733757        3.0771672715  SOLV      725             0.0000000000
      3681       728  SWM4      H1             13.5658297956       -3.0407170673        3.8202270695  SOLV      725             0.0000000000
      3682       728  SWM4      H2             13.6279804603       -4.1463080275        2.7879172913  SOLV      725             0.0000000000
      3683       729  SWM4      OH2             9.6314606360       -6.2954779980        5.4893375907  SOLV      726             0.0000000000
      3684       729  SWM4      DOH2            9.6864723677       -6.2718196207        5.5352595504  SOLV      726             0.0000000000
      3685       729  SWM4      OM              9.5894268297       -6.5318972213        5.4995731186  SOLV      726             0.0000000000
      3686       729  SWM4      H1              9.1716615491       -6.7796476164        6.1751889473  SOLV      726             0.0000000000
      3687       729  SWM4      H2              9.8863302423       -6.9639375247        4.8533888712  SOLV      726             0.0000000000
      3688       730  SWM4      OH2            10.7025005319       -8.0522979546        3.7516575474  SOLV      727             0.0000000000
      3689       730  SWM4      DOH2           10.6293990042       -7.9723996747        3.8345545404  SOLV      727             0.0000000000
      3690       730  SWM4      OM             10.8603470238       -8.0619402067        3.5706679638  SOLV      727             0.0000000000
      3691       730  SWM4      H1             10.5220009847       -8.2071777578        2.8244891224  SOLV      727             0.0000000000
      3692       730  SWM4      H2             11.6525493249       -7.9444266311        3.7964464081  SOLV      727             0.0000000000
      3693       731  SWM4      OH2             4.1681606013       -2.7255479652        4.2358275866  SOLV      728             0.0000000000
      3694       731  SWM4      DOH2            4.1809392886       -2.6234442574        4.3060491424  SOLV      728             0.0000000000
      3695       731  SWM4      OM              4.3571197813       -2.8502893348        4.1552068631  SOLV      728             0.0000000000
      3696       731  SWM4      H1              5.0820811787       -2.6466561350        4.5092198024  SOLV      728             0.0000000000
      3697       731  SWM4      H2              4.1754707151       -3.4125898697        3.5693865463  SOLV      728             0.0000000000
      3698       732  SWM4      OH2             2.8172205691        2.6673020135        9.3132175771  SOLV      729             0.0000000000
      3699       732  SWM4      DOH2            2.8113958883        2.7671104981        9.3445918014  SOLV      729             0.0000000000
      3700       732  SWM4      OM              2.7571573920        2.4348068888        9.3234197217  SOLV      729             0.0000000000
      3701       732  SWM4      H1              2.1699320508        2.2054723533        8.7803382218  SOLV      729             0.0000000000
      3702       732  SWM4      H2              3.1716793739        1.9956347856        9.8958360383  SOLV      729             0.0000000000
      3703       733  SWM4      OH2             3.6871406063        0.7480020239       11.1178375985  SOLV      730             0.0000000000
      3704       733  SWM4      DOH2            3.8029531547        0.7607754034       11.1225613143  SOLV      730             0.0000000000
      3705       733  SWM4      OM              3.6641514162        0.6383136788       11.3304536885  SOLV      730             0.0000000000
      3706       733  SWM4      H1              3.3528201977       -0.1322677599       11.2898576971  SOLV      730             0.0000000000
      3707       733  SWM4      H2              3.9093805314        1.0935018336       11.9823973598  SOLV      730             0.0000000000
      3708       734  SWM4      OH2             3.7670905933       -6.1764579595       13.5693276020  SOLV      731             0.0000000000
      3709       734  SWM4      DOH2            3.8271011195       -6.1738505797       13.5878324330  SOLV      731             0.0000000000
      3710       734  SWM4      OM              3.9790948467       -6.2187389178       13.4642932275  SOLV      731             0.0000000000
      3711       734  SWM4      H1              3.9513798494       -6.2582889540       12.6336175602  SOLV      731             0.0000000000
      3712       734  SWM4      H2              4.6163789970       -6.3007581773       13.9929668705  SOLV      731             0.0000000000
      3713       735  SWM4      OH2             4.5858205722      -12.5937979711       12.6014976259  SOLV      732             0.0000000000
      3714       735  SWM4      DOH2            4.4807775316      -12.5848343341       12.5556153794  SOLV      732             0.0000000000
      3715       735  SWM4      OM              4.7727740901      -12.6092286467       12.7517504727  SOLV      732             0.0000000000
      3716       735  SWM4      H1              5.0309793328      -13.3855478776       12.9034689328  SOLV      732             0.0000000000
      3717       735  SWM4      H2              5.0521197287      -11.8772774321       13.0320580972  SOLV      732             0.0000000000
      3718       736  SWM4      OH2             2.8898506055       -9.5944979385       13.6705175720  SOLV      733             0.0000000000
      3719       736  SWM4      DOH2            2.9131199844       -9.6780865547       13.6389706276  SOLV      733             0.0000000000
      3720       736  SWM4      OM              3.0650322909       -9.4674522457       13.5659402627  SOLV      733             0.0000000000
      3721       736  SWM4      H1              3.3818301756       -9.8154480482       12.8797181518  SOLV      733             0.0000000000
      3722       736  SWM4      H2              3.2519403803       -8.7541571404       13.9514678848  SOLV      733             0.0000000000
      3723       737  SWM4      OH2             3.2035005784      -13.3365879753        7.7247575827  SOLV      734             0.0000000000
      3724       737  SWM4      DOH2            3.1922271551      -13.3731421448        7.7377426403  SOLV      734             0.0000000000
      3725       737  SWM4      OM              3.1068564364      -13.1944966059        7.5567229161  SOLV      734             0.0000000000
      3726       737  SWM4      H1              2.2783414124      -13.1279272760        7.5953059867  SOLV      734             0.0000000000
      3727       737  SWM4      H2              3.6574895467      -12.8525094875        7.0349882334  SOLV      734             0.0000000000
      3728       738  SWM4      OH2             8.1821905595        2.4076220423       15.5492376027  SOLV      735             0.0000000000
      3729       738  SWM4      DOH2            8.1711632495        2.3582644890       15.5758821608  SOLV      735             0.0000000000
      3730       738  SWM4      OM              7.9935099362        2.5345014568       15.4713473559  SOLV      735             0.0000000000
      3731       738  SWM4      H1              7.3174115793        2.4794714535       15.9532471513  SOLV      735             0.0000000000
      3732       738  SWM4      H2              8.1270900178        2.9543508102       14.7654881591  SOLV      735             0.0000000000
      3733       739  SWM4      OH2            12.8927506039        2.2955120166       14.7248375535  SOLV      736             0.0000000000
      3734       739  SWM4      DOH2           12.9090522305        2.2841731159       14.7425180494  SOLV      736             0.0000000000
      3735       739  SWM4      OM             12.8324884524        2.5277224291       14.7394148598  SOLV      736             0.0000000000
      3736       739  SWM4      H1             12.4361503284        2.8244812417       14.0706770605  SOLV      736             0.0000000000
      3737       739  SWM4      H2             13.0555511537        2.8986529305       15.4500675568  SOLV      736             0.0000000000
      3738       740  SWM4      OH2            15.2203806164        1.1734720248       15.6698675273  SOLV      737             0.0000000000
      3739       740  SWM4      DOH2           15.2475264336        1.1959743197       15.7397647857  SOLV      737             0.0000000000
      3740       740  SWM4      OM             15.1227934886        1.3823271902       15.6018825574  SOLV      737             0.0000000000
      3741       740  SWM4      H1             14.3157512605        1.3384920663       15.4040778331  SOLV      737             0.0000000000
      3742       740  SWM4      H2             15.6492400670        2.0266911740       15.6042072787  SOLV      737             0.0000000000
      3743       741  SWM4      OH2             5.1297405978        1.4304820289       13.4296975462  SOLV      738             0.0000000000
      3744       741  SWM4      DOH2            5.1150379355        1.4493528321       13.3377819133  SOLV      738             0.0000000000
      3745       741  SWM4      OM              5.2910393516        1.2778797073       13.5216808359  SOLV      738             0.0000000000
      3746       741  SWM4      H1              5.1113402297        1.0049912826       14.2869289901  SOLV      738             0.0000000000
      3747       741  SWM4      H2              5.9345292722        1.1119823678       13.0209173118  SOLV      738             0.0000000000
      3748       742  SWM4      OH2             7.2710506018        0.1403520271       12.0846875571  SOLV      739             0.0000000000
      3749       742  SWM4      DOH2            7.2600727347        0.2155197313       12.0194814821  SOLV      739             0.0000000000
      3750       742  SWM4      OM              7.3952024721       -0.0188601137       12.2150849485  SOLV      739             0.0000000000
      3751       742  SWM4      H1              7.0521209779       -0.7759079465       12.2542859546  SOLV      739             0.0000000000
      3752       742  SWM4      H2              8.0952687914        0.2803905366       12.5508267447  SOLV      739             0.0000000000
      3753       743  SWM4      OH2             9.8083005295        0.6102820306       12.9334875975  SOLV      740             0.0000000000
      3754       743  SWM4      DOH2            9.7881310280        0.5653271790       12.9336998908  SOLV      740             0.0000000000
      3755       743  SWM4      OM              9.8651341199        0.4210977501       13.0703997056  SOLV      740             0.0000000000
      3756       743  SWM4      H1             10.0208704963       -0.2778159708       12.6465760713  SOLV      740             0.0000000000
      3757       743  SWM4      H2              9.8728103564        0.5760518030       13.8878851949  SOLV      740             0.0000000000
      3758       744  SWM4      OH2            13.3166706201      -13.7256579430       12.0778175433  SOLV      741             0.0000000000
      3759       744  SWM4      DOH2           13.3579276134      -13.6922949382       12.0728884977  SOLV      741             0.0000000000
      3760       744  SWM4      OM             13.2940260318      -13.9540626688       12.0065138254  SOLV      741             0.0000000000
      3761       744  SWM4      H1             12.6423514782      -14.3550975161       12.3333973406  SOLV      741             0.0000000000
      3762       744  SWM4      H2             13.8805901083      -14.2097678737       11.4746080412  SOLV      741             0.0000000000
      3763       745  SWM4      OH2             5.6434206158      -15.0916279196        9.8998075630  SOLV      742             0.0000000000
      3764       745  SWM4      DOH2            5.6220184699      -15.0650625602        9.9615788695  SOLV      742             0.0000000000
      3765       745  SWM4      OM              5.5928270673      -15.3031617278        9.7975358897  SOLV      742             0.0000000000
      3766       745  SWM4      H1              4.8664010873      -15.3261384138        9.3923983689  SOLV      742             0.0000000000
      3767       745  SWM4      H2              6.1737790734      -15.8884177711        9.9086068960  SOLV      742             0.0000000000
      3768       746  SWM4      OH2             4.4797605718      -15.2938179047        5.7034175524  SOLV      743             0.0000000000
      3769       746  SWM4      DOH2            4.4557834179      -15.3636816936        5.6956224650  SOLV      743             0.0000000000
      3770       746  SWM4      OM              4.4398266501      -15.0580457022        5.6792859857  SOLV      743             0.0000000000
      3771       746  SWM4      H1              4.9188296010      -14.6827682527        5.1117684250  SOLV      743             0.0000000000
      3772       746  SWM4      H2              3.8460018035      -14.7554080025        6.1774184264  SOLV      743             0.0000000000
      3773       747  SWM4      OH2            10.2226805987      -15.1649179447        9.7131175147  SOLV      744             0.0000000000
      3774       747  SWM4      DOH2           10.1566017604      -15.2061547892        9.6986798785  SOLV      744             0.0000000000
      3775       747  SWM4      OM             10.3741434098      -15.1293897432        9.8963181626  SOLV      744             0.0000000000
      3776       747  SWM4      H1             11.0970198967      -14.7764885000        9.6835469611  SOLV      744             0.0000000000
      3777       747  SWM4      H2             10.0867604064      -15.3801384493       10.6358364629  SOLV      744             0.0000000000
      3778       748  SWM4      OH2            15.7795205905      -15.1349379767       11.3622875338  SOLV      745             0.0000000000
      3779       748  SWM4      DOH2           15.7282522137      -15.0877539805       11.3709236558  SOLV      745             0.0000000000
      3780       748  SWM4      OM             15.7387189985      -15.3016043002       11.1939925043  SOLV      745             0.0000000000
      3781       748  SWM4      H1             15.8556807924      -15.0397775241       10.4128876304  SOLV      745             0.0000000000
      3782       748  SWM4      H2             15.5044401151      -16.0426475923       11.4911974808  SOLV      745             0.0000000000
      3783       749  SWM4      OH2            11.3666806010      -13.0845179459        6.6028775739  SOLV      746             0.0000000000
      3784       749  SWM4      DOH2           11.2961019937      -13.1112228894        6.6392062508  SOLV      746             0.0000000000
      3785       749  SWM4      OM             11.3922685913      -13.0461429275        6.8387552285  SOLV      746             0.0000000000
      3786       749  SWM4      H1             11.5448095713      -13.7311981075        7.2857371281  SOLV      746             0.0000000000
      3787       749  SWM4      H2             11.3133000305      -12.2507488307        7.0699872834  SOLV      746             0.0000000000
      3788       750  SWM4      OH2            13.2450606302        1.8638920315        4.9985475648  SOLV      747             0.0000000000
      3789       750  SWM4      DOH2           13.2450460663        1.8060443621        5.0406620002  SOLV      747             0.0000000000
      3790       750  SWM4      OM             13.3720869256        1.8490296265        4.7950553453  SOLV      747             0.0000000000
      3791       750  SWM4      H1             14.1110802721        2.2306319650        4.8203678830  SOLV      747             0.0000000000
      3792       750  SWM4      H2             12.9983409710        1.4246925629        4.1846285535  SOLV      747             0.0000000000
      3793       751  SWM4      OH2            -4.1343194441       12.9206020715        9.8585575749  SOLV      748             0.0000000000
      3794       751  SWM4      DOH2           -4.2208144834       12.8769162300        9.7874744048  SOLV      748             0.0000000000
      3795       751  SWM4      OM             -4.2469532635       13.0577123746        9.6964464231  SOLV      748             0.0000000000
      3796       751  SWM4      H1             -4.0452097995       13.8644227663        9.7262675449  SOLV      748             0.0000000000
      3797       751  SWM4      H2             -4.7725592536       12.6452435956        9.2004984524  SOLV      748             0.0000000000
      3798       752  SWM4      OH2           -12.8326893851       11.7898820248       14.8703674754  SOLV      749             0.0000000000
      3799       752  SWM4      DOH2          -12.8650465481       11.7873354100       14.8131403689  SOLV      749             0.0000000000
      3800       752  SWM4      OM            -12.6800894650       11.7895109477       15.0560523570  SOLV      749             0.0000000000
      3801       752  SWM4      H1            -12.7914806914       11.1642124588       15.5936083517  SOLV      749             0.0000000000
      3802       752  SWM4      H2            -12.1299183305       12.4137426391       15.0524065163  SOLV      749             0.0000000000
      3803       753  SWM4      OH2           -14.5887193714       12.0619919780       10.9239576126  SOLV      750             0.0000000000
      3804       753  SWM4      DOH2          -14.5725716608       12.0447342060       10.8925953077  SOLV      750             0.0000000000
      3805       753  SWM4      OM            -14.3936320729       11.9224788617       10.9083807496  SOLV      750             0.0000000000
      3806       753  SWM4      H1            -14.3753689733       11.2921528623       11.4512570611  SOLV      750             0.0000000000
      3807       753  SWM4      H2            -13.8509586298       12.1516613741       10.3207162618  SOLV      750             0.0000000000
      3808       754  SWM4      OH2            -6.8117494292       14.6078120820       13.6834775237  SOLV      751             0.0000000000
      3809       754  SWM4      DOH2           -6.8463990050       14.6170815228       13.7368977829  SOLV      751             0.0000000000
      3810       754  SWM4      OM             -6.6014688126       14.4915144535       13.6882381958  SOLV      751             0.0000000000
      3811       754  SWM4      H1             -6.5079593312       13.9219519927       13.0888872915  SOLV      751             0.0000000000
      3812       754  SWM4      H2             -6.0903495562       14.7266817336       14.3012772475  SOLV      751             0.0000000000
      3813       755  SWM4      OH2             1.8512306176        6.2093419976       14.5440978432  SOLV      752             0.0000000000
      3814       755  SWM4      DOH2            1.7871634695        6.1774696315       14.5598352014  SOLV      752             0.0000000000
      3815       755  SWM4      OM              1.9486040253        6.4290622448       14.5467678879  SOLV      752             0.0000000000
      3816       755  SWM4      H1              1.9004490339        6.8194625359       15.2800081285  SOLV      752             0.0000000000
      3817       755  SWM4      H2              2.2767407176        6.6704324621       13.8212073305  SOLV      752             0.0000000000
      3818       756  SWM4      OH2           -10.5162194669        7.1036920200       11.2834375475  SOLV      753             0.0000000000
      3819       756  SWM4      DOH2          -10.5656137284        7.0898308687       11.3093813038  SOLV      753             0.0000000000
      3820       756  SWM4      OM            -10.6012344521        7.1667274294       11.0676491623  SOLV      753             0.0000000000
      3821       756  SWM4      H1            -10.4731095627        7.9635416847       10.8650680804  SOLV      753             0.0000000000
      3822       756  SWM4      H2            -10.9738092265        6.5511633487       10.6497593841  SOLV      753             0.0000000000
      3823       757  SWM4      OH2            -2.7939494137        7.2342520269        9.6842676543  SOLV      754             0.0000000000
      3824       757  SWM4      DOH2           -2.8154082510        7.3488296284        9.6071362802  SOLV      754             0.0000000000
      3825       757  SWM4      OM             -2.5567592654        7.2730639315        9.6846571726  SOLV      754             0.0000000000
      3826       757  SWM4      H1             -2.1475200195        6.9055721285       10.3090270941  SOLV      754             0.0000000000
      3827       757  SWM4      H2             -2.2840108891        7.7521505505        9.0614080018  SOLV      754             0.0000000000
      3828       758  SWM4      OH2           -13.8960694687        9.5002719842       12.0455774853  SOLV      755             0.0000000000
      3829       758  SWM4      DOH2          -13.9232660473        9.5304112550       12.0621763179  SOLV      755             0.0000000000
      3830       758  SWM4      OM            -13.7570852333        9.3312715886       11.9461396208  SOLV      755             0.0000000000
      3831       758  SWM4      H1            -13.2424105707        8.9504433953       12.4775873966  SOLV      755             0.0000000000
      3832       758  SWM4      H2            -13.8721395537        9.2261734975       11.1287777604  SOLV      755             0.0000000000
      3833       759  SWM4      OH2            -8.7396193761       11.0504020643       11.2607274988  SOLV      756             0.0000000000
      3834       759  SWM4      DOH2           -8.7414220063       11.0628952331       11.2978017527  SOLV      756             0.0000000000
      3835       759  SWM4      OM             -8.7334701799       10.8111170238       11.2824206755  SOLV      756             0.0000000000
      3836       759  SWM4      H1             -8.1235210528       10.5239426645       11.7701276811  SOLV      756             0.0000000000
      3837       759  SWM4      H2             -9.3257382612       10.4102731703       10.8570878473  SOLV      756             0.0000000000
      3838       760  SWM4      OH2           -11.7060294178        6.0215320422       15.3575175612  SOLV      757             0.0000000000
      3839       760  SWM4      DOH2          -11.7094950658        6.0585145085       15.3376180529  SOLV      757             0.0000000000
      3840       760  SWM4      OM            -11.8879147680        6.1767254099       15.3330553596  SOLV      757             0.0000000000
      3841       760  SWM4      H1            -11.9248593088        6.5515901618       14.5911181608  SOLV      757             0.0000000000
      3842       760  SWM4      H2            -12.3739385667        6.2480824770       16.0046573251  SOLV      757             0.0000000000
      3843       761  SWM4      OH2            -4.3370494021       15.5216419985        8.9014275403  SOLV      758             0.0000000000
      3844       761  SWM4      DOH2           -4.3787482657       15.5020863805        8.9477026100  SOLV      758             0.0000000000
      3845       761  SWM4      OM             -4.4641604231       15.6399718998        8.7352754710  SOLV      758             0.0000000000
      3846       761  SWM4      H1             -4.6325397723       15.1988707623        8.0501177566  SOLV      758             0.0000000000
      3847       761  SWM4      H2             -4.6612702158       16.4213129182        8.9426871982  SOLV      758             0.0000000000
      3848       762  SWM4      OH2            -9.1368893945       13.6971020234       15.6448875497  SOLV      759             0.0000000000
      3849       762  SWM4      DOH2           -9.1899378150       13.6478748658       15.5824121879  SOLV      759             0.0000000000
      3850       762  SWM4      OM             -9.1422510090       13.9334152055       15.6013787580  SOLV      759             0.0000000000
      3851       762  SWM4      H1             -9.8769781394       14.2952514147       15.7484069046  SOLV      759             0.0000000000
      3852       762  SWM4      H2             -8.4229401388       14.2510610012       15.3292475281  SOLV      759             0.0000000000
      3853       763  SWM4      OH2            -1.0301094114        6.5251820231       11.6648575672  SOLV      760             0.0000000000
      3854       763  SWM4      DOH2           -1.0279578897        6.5381435486       11.6176908731  SOLV      760             0.0000000000
      3855       763  SWM4      OM             -0.9397475845        6.4650423593       11.8792955082  SOLV      760             0.0000000000
      3856       763  SWM4      H1             -1.2453083187        5.7595235687       12.1974567931  SOLV      760             0.0000000000
      3857       763  SWM4      H2             -0.3743698146        6.9976421542       12.1777062336  SOLV      760             0.0000000000
      3858       764  SWM4      OH2           -12.1122993796        7.9137120071       13.3097375273  SOLV      761             0.0000000000
      3859       764  SWM4      DOH2          -12.1730641603        7.9345364223       13.2629763946  SOLV      761             0.0000000000
      3860       764  SWM4      OM            -11.8814013872        7.9465839051       13.2516756187  SOLV      761             0.0000000000
      3861       764  SWM4      H1            -11.4986699275        8.5464724974       13.6829763083  SOLV      761             0.0000000000
      3862       764  SWM4      H2            -11.6002305747        7.4412119831       12.6534289420  SOLV      761             0.0000000000
      3863       765  SWM4      OH2           -14.6083694847       15.3321919704        7.2139675717  SOLV      762             0.0000000000
      3864       765  SWM4      DOH2          -14.6126194381       15.2783998955        7.1766559023  SOLV      762             0.0000000000
      3865       765  SWM4      OM            -14.6547950988       15.5510457337        7.1261414381  SOLV      762             0.0000000000
      3866       765  SWM4      H1            -14.8802792200       15.5612913429        6.3252579990  SOLV      762             0.0000000000
      3867       765  SWM4      H2            -14.5627997479       16.1700725513        7.6744974667  SOLV      762             0.0000000000
      3868       766  SWM4      OH2            -0.6826994134        5.2403120391       15.3442075553  SOLV      763             0.0000000000
      3869       766  SWM4      DOH2           -0.7237214484        5.3011430669       15.3718890559  SOLV      763             0.0000000000
      3870       766  SWM4      OM             -0.6935051081        5.4506806225       15.2284752774  SOLV      763             0.0000000000
      3871       766  SWM4      H1             -1.4187795755        5.8510227188       15.3063385481  SOLV      763             0.0000000000
      3872       766  SWM4      H2              0.0006995087        5.6552112979       14.8178470872  SOLV      763             0.0000000000
      3873       767  SWM4      OH2            -5.4130694017       12.1646020988        7.3105875660  SOLV      764             0.0000000000
      3874       767  SWM4      DOH2           -5.4686087570       12.1738068950        7.4143533881  SOLV      764             0.0000000000
      3875       767  SWM4      OM             -5.4172723538       12.2856573223        7.1029975811  SOLV      764             0.0000000000
      3876       767  SWM4      H1             -6.1245193553       12.6995692567        6.9586393067  SOLV      764             0.0000000000
      3877       767  SWM4      H2             -4.7221100066       12.2198125387        6.6504781627  SOLV      764             0.0000000000
      3878       768  SWM4      OH2            -5.3591494171       10.6220320423        4.3490875704  SOLV      765             0.0000000000
      3879       768  SWM4      DOH2           -5.3305603486       10.6447152455        4.3071073363  SOLV      765             0.0000000000
      3880       768  SWM4      OM             -5.1533628010       10.4978682377        4.3481296120  SOLV      765             0.0000000000
      3881       768  SWM4      H1             -4.6581602550       10.6447220945        5.0004877149  SOLV      765             0.0000000000
      3882       768  SWM4      H2             -5.0568598326        9.9940017145        3.6930170710  SOLV      765             0.0000000000
      3883       769  SWM4      OH2             1.9563205945       11.5424520223       15.6040275796  SOLV      766             0.0000000000
      3884       769  SWM4      DOH2            1.9397527584       11.5058816541       15.5805856146  SOLV      766             0.0000000000
      3885       769  SWM4      OM              1.9178496692       11.7280066803       15.4561926760  SOLV      766             0.0000000000
      3886       769  SWM4      H1              1.3037303412       12.2370116864       15.6931180139  SOLV      766             0.0000000000
      3887       769  SWM4      H2              2.4213505771       11.7525409757       14.7941862392  SOLV      766             0.0000000000
      3888       770  SWM4      OH2            -2.0072994163       12.3739319640        8.2621775925  SOLV      767             0.0000000000
      3889       770  SWM4      DOH2           -1.9789681954       12.5010934402        8.1354790996  SOLV      767             0.0000000000
      3890       770  SWM4      OM             -2.0656917022       12.2743775118        8.4729970731  SOLV      767             0.0000000000
      3891       770  SWM4      H1             -2.7391986887       12.6023027367        8.8352355990  SOLV      767             0.0000000000
      3892       770  SWM4      H2             -1.5600798071       11.6602036835        8.7169266953  SOLV      767             0.0000000000
      3893       771  SWM4      OH2           -10.3619293759       13.0045520336       10.1446775912  SOLV      768             0.0000000000
      3894       771  SWM4      DOH2          -10.3719751001       13.0509611675       10.1951644365  SOLV      768             0.0000000000
      3895       771  SWM4      OM            -10.3090241923       12.7909756255       10.0479726235  SOLV      768             0.0000000000
      3896       771  SWM4      H1            -10.6924079275       12.6338934728        9.3263789348  SOLV      768             0.0000000000
      3897       771  SWM4      H2             -9.7735195711       12.3339538458       10.4915071706  SOLV      768             0.0000000000
      3898       772  SWM4      OH2            -9.9953794021       11.7731120424       13.7781775886  SOLV      769             0.0000000000
      3899       772  SWM4      DOH2          -10.0128911505       11.7195139286       13.8180749216  SOLV      769             0.0000000000
      3900       772  SWM4      OM             -9.8140312032       11.9287760749       13.7527374732  SOLV      769             0.0000000000
      3901       772  SWM4      H1             -9.4301290173       11.8945320286       13.0152977753  SOLV      769             0.0000000000
      3902       772  SWM4      H2             -9.6764907459       12.4106114664       14.4170277982  SOLV      769             0.0000000000
      3903       773  SWM4      OH2            -3.1363494173       11.5362219853        5.9472975866  SOLV      770             0.0000000000
      3904       773  SWM4      DOH2           -3.2300648703       11.5429555214        5.9598070731  SOLV      770             0.0000000000
      3905       773  SWM4      OM             -2.9325602104       11.6635498580        5.9521234179  SOLV      770             0.0000000000
      3906       773  SWM4      H1             -2.5568006915       11.6862522443        6.6941861666  SOLV      770             0.0000000000
      3907       773  SWM4      H2             -2.7223497466       12.0069626152        5.2239365031  SOLV      770             0.0000000000
      3908       774  SWM4      OH2             0.5624905875        3.2862620269        5.7602675605  SOLV      771             0.0000000000
      3909       774  SWM4      DOH2            0.6521766102        3.2756597318        5.7962969386  SOLV      771             0.0000000000
      3910       774  SWM4      OM              0.4295579166        3.4852971183        5.7383674161  SOLV      771             0.0000000000
      3911       774  SWM4      H1             -0.3374392170        3.4251620382        6.0553271512  SOLV      771             0.0000000000
      3912       774  SWM4      H2              0.8143311510        4.1177218203        5.3584376955  SOLV      771             0.0000000000
      3913       775  SWM4      OH2           -11.3716594857       12.0739820422        7.7339575716  SOLV      772             0.0000000000
      3914       775  SWM4      DOH2          -11.4003165003       12.0102590456        7.7783708873  SOLV      772             0.0000000000
      3915       775  SWM4      OM            -11.5698710828       12.0962961437        7.5998686251  SOLV      772             0.0000000000
      3916       775  SWM4      H1            -11.6635288079       12.8421505507        7.2430880362  SOLV      772             0.0000000000
      3917       775  SWM4      H2            -12.0461403117       11.4146023450        7.5710977367  SOLV      772             0.0000000000
      3918       776  SWM4      OH2           -10.4107993908        4.2304920181       13.5876375864  SOLV      773             0.0000000000
      3919       776  SWM4      DOH2          -10.3984981184        4.2116223964       13.6350485213  SOLV      773             0.0000000000
      3920       776  SWM4      OM            -10.5921300982        4.3881878415       13.5917497497  SOLV      773             0.0000000000
      3921       776  SWM4      H1            -11.2724285652        4.1433128364       13.1799265538  SOLV      773             0.0000000000
      3922       776  SWM4      H2            -10.4332304391        5.0865020289       14.0153969909  SOLV      773             0.0000000000
      3923       777  SWM4      OH2            -1.6590394110       12.5690520329        3.5770875557  SOLV      774             0.0000000000
      3924       777  SWM4      DOH2           -1.6847411724       12.5223582488        3.6269681311  SOLV      774             0.0000000000
      3925       777  SWM4      OM             -1.4762229801       12.6051724318        3.4253010537  SOLV      774             0.0000000000
      3926       777  SWM4      H1             -1.6169590966       12.3464417803        2.6470892510  SOLV      774             0.0000000000
      3927       777  SWM4      H2             -0.8098305245       12.9677606879        3.7670777683  SOLV      774             0.0000000000
      3928       778  SWM4      OH2            -6.0862893857        6.4448720635        4.2474175724  SOLV      775             0.0000000000
      3929       778  SWM4      DOH2           -6.0983789263        6.5870325176        4.1544072795  SOLV      775             0.0000000000
      3930       778  SWM4      OM             -6.1909622849        6.2700521594        4.3748824914  SOLV      775             0.0000000000
      3931       778  SWM4      H1             -6.3398098938        6.4640328608        5.1702279799  SOLV      775             0.0000000000
      3932       778  SWM4      H2             -6.3430801935        5.5734132959        3.9460362169  SOLV      775             0.0000000000
      3933       779  SWM4      OH2           -10.3197894791        9.1959420328       14.6826576053  SOLV      776             0.0000000000
      3934       779  SWM4      DOH2          -10.3447647961        9.1416192704       14.6487485832  SOLV      776             0.0000000000
      3935       779  SWM4      OM            -10.4437998714        9.3777149487       14.7793304046  SOLV      776             0.0000000000
      3936       779  SWM4      H1            -10.9615790878        9.1556713419       15.3916667556  SOLV      776             0.0000000000
      3937       779  SWM4      H2            -10.2825893964       10.1224118024       14.4449586793  SOLV      776             0.0000000000
      3938       780  SWM4      OH2           -10.3228793604        9.4169520822        9.5946575755  SOLV      777             0.0000000000
      3939       780  SWM4      DOH2          -10.3129545320        9.3793839966        9.6587284917  SOLV      777             0.0000000000
      3940       780  SWM4      OM            -10.4135505439        9.2698227739        9.4276322203  SOLV      777             0.0000000000
      3941       780  SWM4      H1            -11.2155876987        9.0765626200        9.5360378594  SOLV      777             0.0000000000
      3942       780  SWM4      H2             -9.8722195840        9.0400426380        8.8389789158  SOLV      777             0.0000000000
      3943       781  SWM4      OH2            -4.7873293916        9.8329820329        8.4117375685  SOLV      778             0.0000000000
      3944       781  SWM4      DOH2           -4.8599714924        9.9192508084        8.4496452982  SOLV      778             0.0000000000
      3945       781  SWM4      OM             -4.7234064376        9.9714052366        8.2259458856  SOLV      778             0.0000000000
      3946       781  SWM4      H1             -5.1962985959       10.6478407760        8.1202175387  SOLV      778             0.0000000000
      3947       781  SWM4      H2             -4.0667093854        9.6929928244        7.7974473696  SOLV      778             0.0000000000
      3948       782  SWM4      OH2            -9.2039993988        6.8905220525        3.3484575578  SOLV      779             0.0000000000
      3949       782  SWM4      DOH2           -9.0958631364        6.9598734840        3.3809836903  SOLV      779             0.0000000000
      3950       782  SWM4      OM             -9.4396882496        6.8754749213        3.3930675031  SOLV      779             0.0000000000
      3951       782  SWM4      H1             -9.6349281867        6.4455323033        4.0781960170  SOLV      779             0.0000000000
      3952       782  SWM4      H2             -9.9221284285        7.2621525915        2.8362062441  SOLV      779             0.0000000000
      3953       783  SWM4      OH2           -15.9616594782        6.6324720055       10.4003275821  SOLV      780             0.0000000000
      3954       783  SWM4      DOH2          -15.9621466084        6.7255401960       10.3458632871  SOLV      780             0.0000000000
      3955       783  SWM4      OM            -15.7400926241        6.5393657589       10.3980671656  SOLV      780             0.0000000000
      3956       783  SWM4      H1            -15.3308893137        6.6036831308       11.1197173341  SOLV      780             0.0000000000
      3957       783  SWM4      H2            -15.5122299738        6.2073419169        9.6699178606  SOLV      780             0.0000000000
      3958       784  SWM4      OH2           -14.6874494056        7.3786720267        5.8243675993  SOLV      781             0.0000000000
      3959       784  SWM4      DOH2          -14.6747229647        7.3826923127        5.8668119451  SOLV      781             0.0000000000
      3960       784  SWM4      OM            -14.7373314577        7.6086640946        5.7755708489  SOLV      781             0.0000000000
      3961       784  SWM4      H1            -14.2132803487        7.9696629421        5.2394583812  SOLV      781             0.0000000000
      3962       784  SWM4      H2            -15.4048083540        7.9089614496        6.1713787180  SOLV      781             0.0000000000
      3963       785  SWM4      OH2            -4.5186394124       10.9171519713       15.8969475898  SOLV      782             0.0000000000
      3964       785  SWM4      DOH2           -4.4579478809       10.9486124817       15.8454319885  SOLV      782             0.0000000000
      3965       785  SWM4      OM             -4.5425536513       10.6780277387       15.9005962977  SOLV      782             0.0000000000
      3966       785  SWM4      H1             -4.1951590188       10.2861227952       15.2539963974  SOLV      782             0.0000000000
      3967       785  SWM4      H2             -4.9587094757       10.3823722417       16.5576874171  SOLV      782             0.0000000000
      3968       786  SWM4      OH2            -7.7413493941        6.8447020158       10.6810675348  SOLV      783             0.0000000000
      3969       786  SWM4      DOH2           -7.7747892543        6.8842712956       10.6998063841  SOLV      783             0.0000000000
      3970       786  SWM4      OM             -7.8245435072        6.8439291612       10.9065533808  SOLV      783             0.0000000000
      3971       786  SWM4      H1             -8.6522389719        6.9013828139       10.9696678222  SOLV      783             0.0000000000
      3972       786  SWM4      H2             -7.2360596822        6.7842536357       11.4917886849  SOLV      783             0.0000000000
      3973       787  SWM4      OH2           -12.9130093862        8.4733320890        9.5078275164  SOLV      784             0.0000000000
      3974       787  SWM4      DOH2          -12.8619216761        8.4821771511        9.5900381706  SOLV      784             0.0000000000
      3975       787  SWM4      OM            -13.0345825138        8.3211068285        9.3670682956  SOLV      784             0.0000000000
      3976       787  SWM4      H1            -13.8022091934        8.5728814888        9.1677882098  SOLV      784             0.0000000000
      3977       787  SWM4      H2            -12.6165193000        7.6316339963        9.1616179856  SOLV      784             0.0000000000
      3978       788  SWM4      OH2            -9.2598293446        8.4735920601        7.1642875816  SOLV      785             0.0000000000
      3979       788  SWM4      DOH2           -9.2485975602        8.4532825747        7.2947099481  SOLV      785             0.0000000000
      3980       788  SWM4      OM             -9.1128487829        8.6373613058        7.0676338004  SOLV      785             0.0000000000
      3981       788  SWM4      H1             -8.3282800903        8.6025916594        7.3425975952  SOLV      785             0.0000000000
      3982       788  SWM4      H2             -9.4747983979        9.1430228851        6.5147582208  SOLV      785             0.0000000000
      3983       789  SWM4      OH2            -3.3361593992        6.0793320529       13.9452475985  SOLV      786             0.0000000000
      3984       789  SWM4      DOH2           -3.2278360894        6.0899564715       14.0126436365  SOLV      786             0.0000000000
      3985       789  SWM4      OM             -3.5745749946        6.0744626834       13.9152476877  SOLV      786             0.0000000000
      3986       789  SWM4      H1             -4.0129983089        6.2106434749       14.6092187384  SOLV      786             0.0000000000
      3987       789  SWM4      H2             -3.8216694794        5.9242813067       13.1350183486  SOLV      786             0.0000000000
      3988       790  SWM4      OH2           -10.5858093639        9.6678120041        4.7308975630  SOLV      787             0.0000000000
      3989       790  SWM4      DOH2          -10.6492829122        9.6099250759        4.7295377521  SOLV      787             0.0000000000
      3990       790  SWM4      OM            -10.5261202446        9.6298345908        4.5012008355  SOLV      787             0.0000000000
      3991       790  SWM4      H1            -11.1282990449        9.2881919125        4.0396591447  SOLV      787             0.0000000000
      3992       790  SWM4      H2             -9.7523200050        9.8622826581        4.3023075197  SOLV      787             0.0000000000
      3993       791  SWM4      OH2           -11.4194094188        5.7686120632        8.9865074943  SOLV      788             0.0000000000
      3994       791  SWM4      DOH2          -11.4709174057        5.8934060271        9.0566139148  SOLV      788             0.0000000000
      3995       791  SWM4      OM            -11.3241632626        5.5838606347        8.8658395447  SOLV      788             0.0000000000
      3996       791  SWM4      H1            -11.7364597080        4.8661424895        8.9510466926  SOLV      788             0.0000000000
      3997       791  SWM4      H2            -10.6379997967        5.7703518347        8.4336676303  SOLV      788             0.0000000000
      3998       792  SWM4      OH2            -7.7947894185        8.0206120146       14.9820676217  SOLV      789             0.0000000000
      3999       792  SWM4      DOH2           -7.7427974682        8.1210212202       14.9866117353  SOLV      789             0.0000000000
      4000       792  SWM4      OM             -7.8586640374        8.1703044341       15.1589230434  SOLV      789             0.0000000000
      4001       792  SWM4      H1             -8.6302593580        8.4745625418       15.0923073016  SOLV      789             0.0000000000
      4002       792  SWM4      H2             -7.2707297085        8.2964620597       15.7340577183  SOLV      789             0.0000000000
      4003       793  SWM4      OH2            -7.2505294085       14.2333820080        6.6667075596  SOLV      790             0.0000000000
      4004       793  SWM4      DOH2           -7.2646508347       14.1881865592        6.6180651747  SOLV      790             0.0000000000
      4005       793  SWM4      OM             -7.4308599527       14.1393031950        6.7947534384  SOLV      790             0.0000000000
      4006       793  SWM4      H1             -7.9954277114       13.7259126724        6.3444998636  SOLV      790             0.0000000000
      4007       793  SWM4      H2             -7.3848101809       14.2821816054        7.6131875186  SOLV      790             0.0000000000
      4008       794  SWM4      OH2            -0.1006394112       13.3662020617       15.4534675672  SOLV      791             0.0000000000
      4009       794  SWM4      DOH2           -0.0686412896       13.3918429998       15.4119466647  SOLV      791             0.0000000000
      4010       794  SWM4      OM             -0.1392892531       13.4830900492       15.2470479605  SOLV      791             0.0000000000
      4011       794  SWM4      H1              0.5412379574       13.8228325729       14.9096882111  SOLV      791             0.0000000000
      4012       794  SWM4      H2             -0.9309490871       13.4794431068       14.9908772174  SOLV      791             0.0000000000
      4013       795  SWM4      OH2            -3.3528494238        7.0473720519        4.8659675401  SOLV      792             0.0000000000
      4014       795  SWM4      DOH2           -3.3084723957        6.9668311003        4.8340115114  SOLV      792             0.0000000000
      4015       795  SWM4      OM             -3.4844036709        7.2459733004        4.8978527794  SOLV      792             0.0000000000
      4016       795  SWM4      H1             -4.2914299984        7.1589311614        4.7148501897  SOLV      792             0.0000000000
      4017       795  SWM4      H2             -3.0556409429        7.9040613297        5.1725363561  SOLV      792             0.0000000000
      4018       796  SWM4      OH2            -2.6344994105        8.9146419678        6.5267075739  SOLV      793             0.0000000000
      4019       796  SWM4      DOH2           -2.6689701346        8.9277375818        6.5241459683  SOLV      793             0.0000000000
      4020       796  SWM4      OM             -2.4400010099        9.0486022114        6.4820897091  SOLV      793             0.0000000000
      4021       796  SWM4      H1             -1.7426011108        8.7771425699        6.8458257443  SOLV      793             0.0000000000
      4022       796  SWM4      H2             -2.5781395019        9.7052513263        5.9900593121  SOLV      793             0.0000000000
      4023       797  SWM4      OH2           -12.1256993763       13.5283820191       12.4364975524  SOLV      794             0.0000000000
      4024       797  SWM4      DOH2          -12.1122201322       13.5200738573       12.4646878623  SOLV      794             0.0000000000
      4025       797  SWM4      OM            -11.9570178393       13.3589477556       12.4119169259  SOLV      794             0.0000000000
      4026       797  SWM4      H1            -11.3809792575       13.5259515348       11.8351487142  SOLV      794             0.0000000000
      4027       797  SWM4      H2            -12.0480395626       12.7047631019       12.9180076698  SOLV      794             0.0000000000
      4028       798  SWM4      OH2            -5.1251194102       15.6918119977        5.6921675639  SOLV      795             0.0000000000
      4029       798  SWM4      DOH2           -5.0982522285       15.6323256084        5.6248841926  SOLV      795             0.0000000000
      4030       798  SWM4      OM             -5.3298568091       15.7343696511        5.8106459537  SOLV      795             0.0000000000
      4031       798  SWM4      H1             -5.4202786198       16.5186035147        6.0736491643  SOLV      795             0.0000000000
      4032       798  SWM4      H2             -5.8281193093       15.0725025813        5.8883053244  SOLV      795             0.0000000000
      4033       799  SWM4      OH2             2.2503705960        9.1240520078        6.2213775615  SOLV      796             0.0000000000
      4034       799  SWM4      DOH2            2.3034840125        9.1736590657        6.3364124954  SOLV      796             0.0000000000
      4035       799  SWM4      OM              2.1572454662        9.2295474362        6.0265337293  SOLV      796             0.0000000000
      4036       799  SWM4      H1              1.6959996683        8.7278519461        5.5491281320  SOLV      796             0.0000000000
      4037       799  SWM4      H2              2.3507307190       10.0345710192        5.9437100845  SOLV      796             0.0000000000
      4038       800  SWM4      OH2            -2.2940694265       12.7180420401       13.7077775692  SOLV      797             0.0000000000
      4039       800  SWM4      DOH2           -2.2488754917       12.7461735606       13.7537303653  SOLV      797             0.0000000000
      4040       800  SWM4      OM             -2.3919493694       12.5111180454       13.6345132182  SOLV      797             0.0000000000
      4041       800  SWM4      H1             -3.2223784997       12.4862324977       13.6807074538  SOLV      797             0.0000000000
      4042       800  SWM4      H2             -1.8429598763       11.9410242088       13.3776580899  SOLV      797             0.0000000000
      4043       801  SWM4      OH2            -8.3235294191       14.7091920432        9.4170775759  SOLV      798             0.0000000000
      4044       801  SWM4      DOH2           -8.2591631786       14.6670115615        9.3337323747  SOLV      798             0.0000000000
      4045       801  SWM4      OM             -8.5248736692       14.8048904720        9.5068993824  SOLV      798             0.0000000000
      4046       801  SWM4      H1             -8.5645289089       15.6346319491        9.4586074496  SOLV      798             0.0000000000
      4047       801  SWM4      H2             -9.0641685642       14.2503229564        9.8134672448  SOLV      798             0.0000000000
      4048       802  SWM4      OH2            -4.2647894262       14.9576220412       15.4327475358  SOLV      799             0.0000000000
      4049       802  SWM4      DOH2           -4.2290067085       14.9598437210       15.3736794667  SOLV      799             0.0000000000
      4050       802  SWM4      OM             -4.2330556874       14.7593460024       15.5648281947  SOLV      799             0.0000000000
      4051       802  SWM4      H1             -4.6906592117       14.7297917522       16.2591468413  SOLV      799             0.0000000000
      4052       802  SWM4      H2             -3.6842089831       14.2188024923       15.2502772123  SOLV      799             0.0000000000
      4053       803  SWM4      OH2            -2.0618993925       15.8866720600        4.5066475441  SOLV      800             0.0000000000
      4054       803  SWM4      DOH2           -2.0259109505       15.8136831602        4.4358503225  SOLV      800             0.0000000000
      4055       803  SWM4      OM             -2.1840111882       15.7895431469        4.6894600492  SOLV      800             0.0000000000
      4056       803  SWM4      H1             -1.7085896333       15.5066535837        5.3109960256  SOLV      800             0.0000000000
      4057       803  SWM4      H2             -3.0105497480       15.7931511919        4.5935780279  SOLV      800             0.0000000000
      4058       804  SWM4      OH2            -1.1959694041       14.5588720294        6.7334375588  SOLV      801             0.0000000000
      4059       804  SWM4      DOH2           -1.1840784769       14.6392884797        6.7668854397  SOLV      801             0.0000000000
      4060       804  SWM4      OM             -1.0626310055       14.4339822966        6.8896076731  SOLV      801             0.0000000000
      4061       804  SWM4      H1             -1.4732104365       13.8308016309        7.2895465972  SOLV      801             0.0000000000
      4062       804  SWM4      H2             -0.2686699506       14.6780733629        6.9386973649  SOLV      801             0.0000000000
      4063       805  SWM4      OH2           -12.5809493568       13.8209920515        5.9204475475  SOLV      802             0.0000000000
      4064       805  SWM4      DOH2          -12.5747437282       13.7314875998        6.0055540109  SOLV      802             0.0000000000
      4065       805  SWM4      OM            -12.6144404089       14.0497386460        5.9861666999  SOLV      802             0.0000000000
      4066       805  SWM4      H1            -13.2670172885       14.1732394597        6.4874174564  SOLV      802             0.0000000000
      4067       805  SWM4      H2            -12.0581593754       14.5839517450        5.6738779080  SOLV      802             0.0000000000
      4068       806  SWM4      OH2            -3.9649494021        6.1355420624        7.2965775630  SOLV      803             0.0000000000
      4069       806  SWM4      DOH2           -3.9795904734        6.1368392552        7.3553204672  SOLV      803             0.0000000000
      4070       806  SWM4      OM             -3.8053247241        6.3131284181        7.2692154615  SOLV      803             0.0000000000
      4071       806  SWM4      H1             -3.7451193601        6.6070813297        6.4931188762  SOLV      803             0.0000000000
      4072       806  SWM4      H2             -3.4065490688        6.5298033546        7.9666356296  SOLV      803             0.0000000000
      4073       807  SWM4      OH2            -6.7649593961        7.8634220117        8.1314175607  SOLV      804             0.0000000000
      4074       807  SWM4      DOH2           -6.8516843714        8.0006687080        8.0661016596  SOLV      804             0.0000000000
      4075       807  SWM4      OM             -6.6485466713        7.9371167635        8.3283511485  SOLV      804             0.0000000000
      4076       807  SWM4      H1             -5.9527015320        8.3677426342        8.1775880135  SOLV      804             0.0000000000
      4077       807  SWM4      H2             -7.0096593828        7.7183925584        9.0453761654  SOLV      804             0.0000000000
      4078       808  SWM4      OH2            -5.8812894055        4.9447220137        9.0695275278  SOLV      805             0.0000000000
      4079       808  SWM4      DOH2           -6.0603110974        4.8208273607        9.0030498329  SOLV      805             0.0000000000
      4080       808  SWM4      OM             -5.8172857013        5.1739635739        9.1029570471  SOLV      805             0.0000000000
      4081       808  SWM4      H1             -6.2279405792        5.5617826237        9.7139564421  SOLV      805             0.0000000000
      4082       808  SWM4      H2             -5.2225984427        5.4452916994        8.5880785660  SOLV      805             0.0000000000
      4083       809  SWM4      OH2           -10.2235893636        6.0076620572        5.7567775839  SOLV      806             0.0000000000
      4084       809  SWM4      DOH2          -10.3865479396        6.0362797803        5.8006298492  SOLV      806             0.0000000000
      4085       809  SWM4      OM            -10.0581622393        6.1354442419        5.8753995659  SOLV      806             0.0000000000
      4086       809  SWM4      H1            -10.3071108168        6.8959695369        6.1034168716  SOLV      806             0.0000000000
      4087       809  SWM4      H2             -9.3335595544        5.7423318819        5.9884569774  SOLV      806             0.0000000000
      4088       810  SWM4      OH2            -1.4226394119       10.5068220833       12.2467776074  SOLV      807             0.0000000000
      4089       810  SWM4      DOH2           -1.4614647914       10.5447908220       12.2511021898  SOLV      807             0.0000000000
      4090       810  SWM4      OM             -1.4949326691       10.2800451492       12.2801190503  SOLV      807             0.0000000000
      4091       810  SWM4      H1             -2.2202013014       10.0918419158       11.9182798275  SOLV      807             0.0000000000
      4092       810  SWM4      H2             -0.9775310237        9.8161923616       12.7378261771  SOLV      807             0.0000000000
      4093       811  SWM4      OH2           -13.6491394029        9.0991820358        3.9331675695  SOLV      808             0.0000000000
      4094       811  SWM4      DOH2          -13.6669178250        9.0685517763        3.9600896275  SOLV      808             0.0000000000
      4095       811  SWM4      OM            -13.8403909982        9.2435407441        3.9144840558  SOLV      808             0.0000000000
      4096       811  SWM4      H1            -13.6938801913       10.0384920289        4.1118679361  SOLV      808             0.0000000000
      4097       811  SWM4      H2            -14.5368187400        8.8636727754        3.6633787232  SOLV      808             0.0000000000
      4098       812  SWM4      OH2           -12.8409394301        3.8808420267       12.6062675569  SOLV      809             0.0000000000
      4099       812  SWM4      DOH2          -12.7711566511        3.9610032410       12.6310035575  SOLV      809             0.0000000000
      4100       812  SWM4      OM            -12.9787105897        3.7306573457       12.4788731711  SOLV      809             0.0000000000
      4101       812  SWM4      H1            -13.0699583123        3.9400926250       11.6787685482  SOLV      809             0.0000000000
      4102       812  SWM4      H2            -13.2835992010        3.0893930577       12.9126782012  SOLV      809             0.0000000000
      4103       813  SWM4      OH2           -10.3739193816       14.5879020659        3.1835375686  SOLV      810             0.0000000000
      4104       813  SWM4      DOH2          -10.3618889368       14.5795820018        3.1223171406  SOLV      810             0.0000000000
      4105       813  SWM4      OM            -10.2267848243       14.4006818998        3.1508920449  SOLV      810             0.0000000000
      4106       813  SWM4      H1            -10.3095089272       13.7938620530        3.7141786101  SOLV      810             0.0000000000
      4107       813  SWM4      H2             -9.7209996847       14.4691818348        2.4937393442  SOLV      810             0.0000000000
      4108       814  SWM4      OH2            -5.0215793582       15.6350720161        2.9193375591  SOLV      811             0.0000000000
      4109       814  SWM4      DOH2           -4.9986473827       15.6555800759        2.9822139245  SOLV      811             0.0000000000
      4110       814  SWM4      OM             -5.1190152347       15.4822266258        3.0771673373  SOLV      811             0.0000000000
      4111       814  SWM4      H1             -5.2901700786       15.8152824109        3.8202274625  SOLV      811             0.0000000000
      4112       814  SWM4      H2             -5.2280198879       14.7096904967        2.7879192471  SOLV      811             0.0000000000
      4113       815  SWM4      OH2            -9.2245394169       12.5605220942        5.4893375562  SOLV      812             0.0000000000
      4114       815  SWM4      DOH2           -9.2557666949       12.5259224659        5.5037661844  SOLV      812             0.0000000000
      4115       815  SWM4      OM             -9.2665733168       12.3241026392        5.4995729277  SOLV      812             0.0000000000
      4116       815  SWM4      H1             -9.6843395114       12.0763527015        6.1751885949  SOLV      812             0.0000000000
      4117       815  SWM4      H2             -8.9696698408       11.8920623824        4.8533878418  SOLV      812             0.0000000000
      4118       816  SWM4      OH2            -8.1534994117       10.8037020036        3.7516575694  SOLV      813             0.0000000000
      4119       816  SWM4      DOH2           -8.2993852263       10.8440354658        3.7417277524  SOLV      813             0.0000000000
      4120       816  SWM4      OM             -7.9956527007       10.7940597279        3.5706682596  SOLV      813             0.0000000000
      4121       816  SWM4      H1             -8.3339976029       10.6488215267        2.8244889640  SOLV      813             0.0000000000
      4122       816  SWM4      H2             -7.2034484226       10.9115733218        3.7964466401  SOLV      813             0.0000000000
      4123       817  SWM4      OH2             1.2363305863       13.1581219984        3.1974675498  SOLV      814             0.0000000000
      4124       817  SWM4      DOH2            1.1294779905       13.1161423470        3.3127231701  SOLV      814             0.0000000000
      4125       817  SWM4      OM              1.1883109994       13.2621152545        2.9861734291  SOLV      814             0.0000000000
      4126       817  SWM4      H1              0.9628085083       12.7336726967        2.3842978455  SOLV      814             0.0000000000
      4127       817  SWM4      H2              1.2757408465       14.0895731434        2.9805081401  SOLV      814             0.0000000000
      4128       818  SWM4      OH2             1.6946105875       14.0269320395        7.1725075540  SOLV      815             0.0000000000
      4129       818  SWM4      DOH2            1.7328349837       14.0679653240        7.1626611740  SOLV      815             0.0000000000
      4130       818  SWM4      OM              1.8701162474       13.9615213019        7.3231225983  SOLV      815             0.0000000000
      4131       818  SWM4      H1              2.5447505888       14.4480218290        7.2996678790  SOLV      815             0.0000000000
      4132       818  SWM4      H2              1.7001207073       13.2869427223        7.7796469642  SOLV      815             0.0000000000
      4133       819  SWM4      OH2             2.0891706054       12.0806720204        8.9960775848  SOLV      816             0.0000000000
      4134       819  SWM4      DOH2            2.1199094767       12.0922126552        8.9592308973  SOLV      816             0.0000000000
      4135       819  SWM4      OM              2.0593858865       12.0244156902        9.2278398413  SOLV      816             0.0000000000
      4136       819  SWM4      H1              1.3626314037       11.6009340852        9.3938370507  SOLV      816             0.0000000000
      4137       819  SWM4      H2              2.6704995470       12.2861420762        9.7282354550  SOLV      816             0.0000000000
      4138       820  SWM4      OH2             1.8482905901       14.8654219949       13.9438375868  SOLV      817             0.0000000000
      4139       820  SWM4      DOH2            1.7669457226       14.8725079916       13.9550863212  SOLV      817             0.0000000000
      4140       820  SWM4      OM              2.0422160563       14.9813366328       13.8618472141  SOLV      817             0.0000000000
      4141       820  SWM4      H1              2.6817084417       14.4874234845       13.6631994087  SOLV      817             0.0000000000
      4142       820  SWM4      H2              1.9603202838       15.8085408025       13.8247472673  SOLV      817             0.0000000000
      4143       821  SWM4      OH2             2.3574805985       11.9815220114        5.3872075534  SOLV      818             0.0000000000
      4144       821  SWM4      DOH2            2.3417859040       11.9858565194        5.4949615345  SOLV      818             0.0000000000
      4145       821  SWM4      OM              2.2436477123       12.1930348345        5.3788346842  SOLV      818             0.0000000000
      4146       821  SWM4      H1              1.8355903298       12.3379321567        4.6682987867  SOLV      818             0.0000000000
      4147       821  SWM4      H2              2.3244011061       12.6563007826        6.0652958774  SOLV      818             0.0000000000
      4148       822  SWM4      OH2            -0.1241494106       10.6013220376        9.5589475108  SOLV      819             0.0000000000
      4149       822  SWM4      DOH2           -0.0813179984       10.7447940121        9.6013578281  SOLV      819             0.0000000000
      4150       822  SWM4      OM             -0.2274585017       10.4651269519        9.7278968151  SOLV      819             0.0000000000
      4151       822  SWM4      H1             -0.2742679692        9.6561811381        9.5387271834  SOLV      819             0.0000000000
      4152       822  SWM4      H2             -0.4776993481       10.8824633219       10.4028552057  SOLV      819             0.0000000000
      4153       823  SWM4      OH2           -15.0889094054       12.6795420312       13.5693275490  SOLV      820             0.0000000000
      4154       823  SWM4      DOH2          -15.0757105381       12.6283540649       13.5339327522  SOLV      820             0.0000000000
      4155       823  SWM4      OM            -14.8769049859       12.6372612945       13.4642935902  SOLV      820             0.0000000000
      4156       823  SWM4      H1            -14.9046197589       12.5977121192       12.6336194036  SOLV      820             0.0000000000
      4157       823  SWM4      H2            -14.2396199240       12.5552418759       13.9929666323  SOLV      820             0.0000000000
      4158       824  SWM4      OH2            -0.4136694118        8.1839020713        8.0214575957  SOLV      821             0.0000000000
      4159       824  SWM4      DOH2           -0.4246504115        8.1667498244        7.9919906106  SOLV      821             0.0000000000
      4160       824  SWM4      OM             -0.2005781695        8.0869211437        7.9671203347  SOLV      821             0.0000000000
      4161       824  SWM4      H1             -0.1339602966        7.2769440058        8.1456280741  SOLV      821             0.0000000000
      4162       824  SWM4      H2              0.3454994060        8.6180522676        7.6323786357  SOLV      821             0.0000000000
      4163       825  SWM4      OH2             0.1981605885        8.7656420166       13.4573475692  SOLV      822             0.0000000000
      4164       825  SWM4      DOH2            0.1681814060        8.8098157204       13.5229942245  SOLV      822             0.0000000000
      4165       825  SWM4      OM              0.3412372947        8.8298839384       13.6394676041  SOLV      822             0.0000000000
      4166       825  SWM4      H1              1.1309582307        8.9776322328       13.4229463106  SOLV      822             0.0000000000
      4167       825  SWM4      H2             -0.0370897677        8.8668532980       14.3796456491  SOLV      822             0.0000000000
      4168       826  SWM4      OH2             0.1998105892        5.4468319810        8.0696576218  SOLV      823             0.0000000000
      4169       826  SWM4      DOH2            0.2737296457        5.3824764732        8.0786390997  SOLV      823             0.0000000000
      4170       826  SWM4      OM              0.1142347246        5.2348641886        8.1439006447  SOLV      823             0.0000000000
      4171       826  SWM4      H1              0.3823102819        4.9979806053        8.8951554227  SOLV      823             0.0000000000
      4172       826  SWM4      H2             -0.3998989544        4.8622714126        7.6061187690  SOLV      823             0.0000000000
      4173       827  SWM4      OH2           -14.2701793174        6.2622020568       12.6014976030  SOLV      824             0.0000000000
      4174       827  SWM4      DOH2          -14.2723732935        6.2118096933       12.5441234935  SOLV      824             0.0000000000
      4175       827  SWM4      OM            -14.0832260771        6.2467713302       12.7517504674  SOLV      824             0.0000000000
      4176       827  SWM4      H1            -13.8250210334        5.4704524570       12.9034680306  SOLV      824             0.0000000000
      4177       827  SWM4      H2            -13.8038811013        6.9787223614       13.0320580797  SOLV      824             0.0000000000
      4178       828  SWM4      OH2           -15.9661493753        9.2615020047       13.6705175276  SOLV      825             0.0000000000
      4179       828  SWM4      DOH2          -15.9214932924        9.2865281145       13.6524215737  SOLV      825             0.0000000000
      4180       828  SWM4      OM            -15.7909676028        9.3885475229       13.5659401689  SOLV      825             0.0000000000
      4181       828  SWM4      H1            -15.4741688859        9.0405523781       12.8797167513  SOLV      825             0.0000000000
      4182       828  SWM4      H2            -15.6040585951       10.1018415250       13.9514677117  SOLV      825             0.0000000000
      4183       829  SWM4      OH2           -15.6524994179        5.5194120538        7.7247575350  SOLV      826             0.0000000000
      4184       829  SWM4      DOH2          -15.6640354832        5.5449059406        7.7327806076  SOLV      826             0.0000000000
      4185       829  SWM4      OM            -15.7491435678        5.6615033798        7.5567230373  SOLV      826             0.0000000000
      4186       829  SWM4      H1            -16.5776581304        5.7280723848        7.5953073034  SOLV      826             0.0000000000
      4187       829  SWM4      H2            -15.1985107283        6.0034906869        7.0349876503  SOLV      826             0.0000000000
      4188       830  SWM4      OH2            -0.3966094116        3.2377420252       12.1905276023  SOLV      827             0.0000000000
      4189       830  SWM4      DOH2           -0.3802707993        3.2103302331       12.2056783842  SOLV      827             0.0000000000
      4190       830  SWM4      OM             -0.4511779944        3.4154896585       12.0382326054  SOLV      827             0.0000000000
      4191       830  SWM4      H1              0.2071492020        3.7852818500       11.6886283671  SOLV      827             0.0000000000
      4192       830  SWM4      H2             -1.2664082834        3.5567816049       11.9499380571  SOLV      827             0.0000000000
      4193       831  SWM4      OH2             1.3304305919        4.3766120379       10.5236175216  SOLV      828             0.0000000000
      4194       831  SWM4      DOH2            1.3064447473        4.3841374290       10.5694003147  SOLV      828             0.0000000000
      4195       831  SWM4      OM              1.5343318309        4.4510230107       10.4204044480  SOLV      828             0.0000000000
      4196       831  SWM4      H1              1.9421804827        3.8621828860        9.9969774024  SOLV      828             0.0000000000
      4197       831  SWM4      H2              1.7127672268        5.2538194956       10.5470591173  SOLV      828             0.0000000000
      4198       832  SWM4      OH2           -13.2125794311        3.7643720318        9.8998075391  SOLV      829             0.0000000000
      4199       832  SWM4      DOH2          -13.2236421578        3.8103959783        9.9616241247  SOLV      829             0.0000000000
      4200       832  SWM4      OM            -13.2631724945        3.5528383220        9.7975358557  SOLV      829             0.0000000000
      4201       832  SWM4      H1            -13.9895982938        3.5298620073        9.3923990717  SOLV      829             0.0000000000
      4202       832  SWM4      H2            -12.6822189364        2.9675829891        9.9086064115  SOLV      829             0.0000000000
      4203       833  SWM4      OH2           -14.3762394123        3.5621820084        5.7034175536  SOLV      830             0.0000000000
      4204       833  SWM4      DOH2          -14.4245288201        3.5902082468        5.5847391175  SOLV      830             0.0000000000
      4205       833  SWM4      OM            -14.4161734870        3.7979544311        5.6792858515  SOLV      830             0.0000000000
      4206       833  SWM4      H1            -13.9371711080        4.1732323425        5.1117683684  SOLV      830             0.0000000000
      4207       833  SWM4      H2            -15.0099981805        4.1005914623        6.1774177193  SOLV      830             0.0000000000
      4208       834  SWM4      OH2            -8.6333194745        3.6910820249        9.7131175891  SOLV      831             0.0000000000
      4209       834  SWM4      DOH2           -8.6792468774        3.6963074870        9.6882384575  SOLV      831             0.0000000000
      4210       834  SWM4      OM             -8.4818567177        3.7266107807        9.8963181515  SOLV      831             0.0000000000
      4211       834  SWM4      H1             -7.7589799993        4.0795133091        9.6835464400  SOLV      831             0.0000000000
      4212       834  SWM4      H2             -8.7692406233        3.4758627520       10.6358378122  SOLV      831             0.0000000000
      4213       835  SWM4      OH2            -3.0764794093        3.7210620196       11.3622874991  SOLV      832             0.0000000000
      4214       835  SWM4      DOH2           -2.9900404191        3.8343012569       11.3548576737  SOLV      832             0.0000000000
      4215       835  SWM4      OM             -3.1172809110        3.5543956291       11.1939926321  SOLV      832             0.0000000000
      4216       835  SWM4      H1             -3.0003199080        3.8162224524       10.4128878444  SOLV      832             0.0000000000
      4217       835  SWM4      H2             -3.3515586980        2.8133518055       11.4911976456  SOLV      832             0.0000000000
      4218       836  SWM4      OH2            -1.7232194088        3.7468420382        7.0547875976  SOLV      833             0.0000000000
      4219       836  SWM4      DOH2           -1.6124826123        3.7401605648        7.0645121593  SOLV      833             0.0000000000
      4220       836  SWM4      OM             -1.9586413337        3.7012223852        7.0386304653  SOLV      833             0.0000000000
      4221       836  SWM4      H1             -2.4261082290        4.3617625374        6.8449269739  SOLV      833             0.0000000000
      4222       836  SWM4      H2             -2.1680776686        2.9095134346        7.1858779499  SOLV      833             0.0000000000
      4223       837  SWM4      OH2           -12.5153293601        5.4783320462        4.1458275399  SOLV      834             0.0000000000
      4224       837  SWM4      DOH2          -12.6191570938        5.4660625701        4.0869653942  SOLV      834             0.0000000000
      4225       837  SWM4      OM            -12.2866313471        5.4098599496        4.1736558076  SOLV      834             0.0000000000
      4226       837  SWM4      H1            -12.0239909577        4.8485704159        3.6183782471  SOLV      834             0.0000000000
      4227       837  SWM4      H2            -11.8916983818        5.7742722812        4.8089476759  SOLV      834             0.0000000000
      4228       838  SWM4      OH2            -7.4893194185        5.7714820168        6.6028775403  SOLV      835             0.0000000000
      4229       838  SWM4      DOH2           -7.5660836553        5.7825983101        6.5467292125  SOLV      835             0.0000000000
      4230       838  SWM4      OM             -7.4637313178        5.8098570948        6.8387552915  SOLV      835             0.0000000000
      4231       838  SWM4      H1             -7.3111897640        5.1248010306        7.2857363360  SOLV      835             0.0000000000
      4232       838  SWM4      H2             -7.5427005492        6.6052514222        7.0699852167  SOLV      835             0.0000000000
      4233       839  SWM4      OH2            14.7216805855       12.9206020352        9.8585575468  SOLV      836             0.0000000000
      4234       839  SWM4      DOH2           14.7344674478       12.9177226573        9.8415993940  SOLV      836             0.0000000000
      4235       839  SWM4      OM             14.6090467636       13.0577122638        9.6964462746  SOLV      836             0.0000000000
      4236       839  SWM4      H1             14.8107911835       13.8644217738        9.7262673959  SOLV      836             0.0000000000
      4237       839  SWM4      H2             14.0834409100       12.6452426985        9.2004986816  SOLV      836             0.0000000000
      4238       840  SWM4      OH2            13.6548105502       12.1756720980       13.2773776212  SOLV      837             0.0000000000
      4239       840  SWM4      DOH2           13.6401586002       12.2591444776       13.3326923334  SOLV      837             0.0000000000
      4240       840  SWM4      OM             13.5808465164       11.9473940503       13.2638050602  SOLV      837             0.0000000000
      4241       840  SWM4      H1             13.6165606808       11.5293032607       13.9823374610  SOLV      837             0.0000000000
      4242       840  SWM4      H2             13.3324617259       11.7091124784       12.5062476390  SOLV      837             0.0000000000
      4243       841  SWM4      OH2             6.0233105891       11.7898821133       14.8703675626  SOLV      838             0.0000000000
      4244       841  SWM4      DOH2            6.0061626976       11.8174233225       14.8143455586  SOLV      838             0.0000000000
      4245       841  SWM4      OM              6.1759104112       11.7895107718       15.0560523382  SOLV      838             0.0000000000
      4246       841  SWM4      H1              6.0645199536       11.1642124815       15.5936087925  SOLV      838             0.0000000000
      4247       841  SWM4      H2              6.7260805517       12.4137421414       15.0524070791  SOLV      838             0.0000000000
      4248       842  SWM4      OH2             3.5566705902        9.9000320443        8.7981575262  SOLV      839             0.0000000000
      4249       842  SWM4      DOH2            3.5138274492        9.8935747080        8.7746295923  SOLV      839             0.0000000000
      4250       842  SWM4      OM              3.3498063785        9.9546512331        8.6886605087  SOLV      839             0.0000000000
      4251       842  SWM4      H1              3.1090105800       10.7458995050        8.7798082376  SOLV      839             0.0000000000
      4252       842  SWM4      H2              2.9957912216        9.3204532217        8.2826683647  SOLV      839             0.0000000000
      4253       843  SWM4      OH2             4.2672805846       12.0619920047       10.9239575883  SOLV      840             0.0000000000
      4254       843  SWM4      DOH2            4.1686357982       12.1430521996       10.9687379945  SOLV      840             0.0000000000
      4255       843  SWM4      OM              4.4623680165       11.9224788411       10.9083807516  SOLV      840             0.0000000000
      4256       843  SWM4      H1              4.4806287751       11.2921541183       11.4512565784  SOLV      840             0.0000000000
      4257       843  SWM4      H2              5.0050402149       12.1516627744       10.3207168786  SOLV      840             0.0000000000
      4258       844  SWM4      OH2            12.0442505973       14.6078120881       13.6834775737  SOLV      841             0.0000000000
      4259       844  SWM4      DOH2           11.9884162361       14.6863339309       13.7439269778  SOLV      841             0.0000000000
      4260       844  SWM4      OM             12.2545311855       14.4915145431       13.6882382003  SOLV      841             0.0000000000
      4261       844  SWM4      H1             12.3480402239       13.9219534558       13.0888877660  SOLV      841             0.0000000000
      4262       844  SWM4      H2             12.7656490970       14.7266819254       14.3012770812  SOLV      841             0.0000000000
      4263       845  SWM4      OH2            15.1849505618        9.0020520681       14.0109575013  SOLV      842             0.0000000000
      4264       845  SWM4      DOH2           15.1465876575        9.0342911518       14.0639300294  SOLV      842             0.0000000000
      4265       845  SWM4      OM             15.1924351148        8.8504069349       13.8246422136  SOLV      842             0.0000000000
      4266       845  SWM4      H1             15.3275402386        8.0557522299       14.0311180318  SOLV      842             0.0000000000
      4267       845  SWM4      H2             15.0788501493        9.2090330449       13.0824491209  SOLV      842             0.0000000000
      4268       846  SWM4      OH2             8.3397806010        7.1036920190       11.2834374688  SOLV      843             0.0000000000
      4269       846  SWM4      DOH2            8.3582421884        7.0541573235       11.2997920317  SOLV      843             0.0000000000
      4270       846  SWM4      OM              8.2547655932        7.1667271588       11.0676491611  SOLV      843             0.0000000000
      4271       846  SWM4      H1              8.3828902826        7.9635407775       10.8650685665  SOLV      843             0.0000000000
      4272       846  SWM4      H2              7.8821918131        6.5511625122       10.6497587884  SOLV      843             0.0000000000
      4273       847  SWM4      OH2             4.9599305994        9.5002719996       12.0455775785  SOLV      844             0.0000000000
      4274       847  SWM4      DOH2            4.8830942931        9.4438228484       12.0552645129  SOLV      844             0.0000000000
      4275       847  SWM4      OM              5.0989144166        9.3312712989       11.9461395771  SOLV      844             0.0000000000
      4276       847  SWM4      H1              5.6135886784        8.9504424989       12.4775878627  SOLV      844             0.0000000000
      4277       847  SWM4      H2              4.9838598202        9.2261724518       11.1287774544  SOLV      844             0.0000000000
      4278       848  SWM4      OH2             7.1499705958        6.0215320482       15.3575175768  SOLV      845             0.0000000000
      4279       848  SWM4      DOH2            7.2030938673        6.0348501180       15.3244570362  SOLV      845             0.0000000000
      4280       848  SWM4      OM              6.9680851935        6.1767253880       15.3330553903  SOLV      845             0.0000000000
      4281       848  SWM4      H1              6.9311404070        6.5515900826       14.5911178103  SOLV      845             0.0000000000
      4282       848  SWM4      H2              6.4820614469        6.2480825688       16.0046579502  SOLV      845             0.0000000000
      4283       849  SWM4      OH2            14.5189505760       15.5216420084        8.9014275692  SOLV      846             0.0000000000
      4284       849  SWM4      DOH2           14.5615312713       15.5535227757        8.8847828215  SOLV      846             0.0000000000
      4285       849  SWM4      OM             14.3918398153       15.6399720691        8.7352753982  SOLV      846             0.0000000000
      4286       849  SWM4      H1             14.2234605018       15.1988720701        8.0501176062  SOLV      846             0.0000000000
      4287       849  SWM4      H2             14.1947307202       16.4213127423        8.9426870252  SOLV      846             0.0000000000
      4288       850  SWM4      OH2             9.7191105434       13.6971020107       15.6448875699  SOLV      847             0.0000000000
      4289       850  SWM4      DOH2            9.6234170409       13.7121933379       15.5528168501  SOLV      847             0.0000000000
      4290       850  SWM4      OM              9.7137489369       13.9334152163       15.6013786408  SOLV      847             0.0000000000
      4291       850  SWM4      H1              8.9790207438       14.2952533598       15.7484062359  SOLV      847             0.0000000000
      4292       850  SWM4      H2             10.4330601895       14.2510618892       15.3292471045  SOLV      847             0.0000000000
      4293       851  SWM4      OH2             6.7437005952        7.9137120401       13.3097375441  SOLV      848             0.0000000000
      4294       851  SWM4      DOH2            6.6034660231        7.9542206029       13.3065533998  SOLV      848             0.0000000000
      4295       851  SWM4      OM              6.9745986654        7.9465836749       13.2516755255  SOLV      848             0.0000000000
      4296       851  SWM4      H1              7.3573293357        8.5464722991       13.6829763195  SOLV      848             0.0000000000
      4297       851  SWM4      H2              7.2557702480        7.4412110042       12.6534284942  SOLV      848             0.0000000000
      4298       852  SWM4      OH2             4.2476305678       15.3321920332        7.2139675436  SOLV      849             0.0000000000
      4299       852  SWM4      DOH2            4.2007358580       15.3072269332        7.2176848017  SOLV      849             0.0000000000
      4300       852  SWM4      OM              4.2012047845       15.5510456366        7.1261415491  SOLV      849             0.0000000000
      4301       852  SWM4      H1              3.9757206208       15.5612917586        6.3252584285  SOLV      849             0.0000000000
      4302       852  SWM4      H2              4.2931999642       16.1700724201        7.6744973271  SOLV      849             0.0000000000
      4303       853  SWM4      OH2            11.1764405320        3.3270420234       12.8100075709  SOLV      850             0.0000000000
      4304       853  SWM4      DOH2           11.1610849696        3.3559435077       12.7588715461  SOLV      850             0.0000000000
      4305       853  SWM4      OM             10.9769527823        3.2007347213       12.8549154017  SOLV      850             0.0000000000
      4306       853  SWM4      H1             11.0588614281        2.3786434187       12.7558382328  SOLV      850             0.0000000000
      4307       853  SWM4      H2             10.3214524502        3.6596519379       13.0831172487  SOLV      850             0.0000000000
      4308       854  SWM4      OH2            13.4429305633       12.1646020313        7.3105875758  SOLV      851             0.0000000000
      4309       854  SWM4      DOH2           13.4361413592       12.0495757226        7.3037912017  SOLV      851             0.0000000000
      4310       854  SWM4      OM             13.4387277065       12.2856571329        7.1029973757  SOLV      851             0.0000000000
      4311       854  SWM4      H1             12.7314803682       12.6995704244        6.9586377303  SOLV      851             0.0000000000
      4312       854  SWM4      H2             14.1338903606       12.2198107987        6.6504768651  SOLV      851             0.0000000000
      4313       855  SWM4      OH2            13.4968505303       10.6220319872        4.3490875383  SOLV      852             0.0000000000
      4314       855  SWM4      DOH2           13.5600160806       10.6271109519        4.3120637612  SOLV      852             0.0000000000
      4315       855  SWM4      OM             13.7026372924       10.4978683279        4.3481298378  SOLV      852             0.0000000000
      4316       855  SWM4      H1             14.1978402368       10.6447219858        5.0004878232  SOLV      852             0.0000000000
      4317       855  SWM4      H2             13.7991408386        9.9940014351        3.6930181002  SOLV      852             0.0000000000
      4318       856  SWM4      OH2             8.4940705572       13.0045519693       10.1446775245  SOLV      853             0.0000000000
      4319       856  SWM4      DOH2            8.4402760403       13.0841649874       10.1824909342  SOLV      853             0.0000000000
      4320       856  SWM4      OM              8.5469757814       12.7909756748       10.0479728251  SOLV      853             0.0000000000
      4321       856  SWM4      H1              8.1635911567       12.6338945190        9.3263805807  SOLV      853             0.0000000000
      4322       856  SWM4      H2              9.0824801683       12.3339550013       10.4915073409  SOLV      853             0.0000000000
      4323       857  SWM4      OH2             8.8606205308       11.7731120026       13.7781775206  SOLV      854             0.0000000000
      4324       857  SWM4      DOH2            8.7980099595       11.7624748563       13.8227612181  SOLV      854             0.0000000000
      4325       857  SWM4      OM              9.0419686034       11.9287765544       13.7527378169  SOLV      854             0.0000000000
      4326       857  SWM4      H1              9.4258677984       11.8945329694       13.0152990881  SOLV      854             0.0000000000
      4327       857  SWM4      H2              9.1795088610       12.4106114319       14.4170283689  SOLV      854             0.0000000000
      4328       858  SWM4      OH2             7.4843405987       12.0739820281        7.7339575574  SOLV      855             0.0000000000
      4329       858  SWM4      DOH2            7.4817968834       11.9803900215        7.7758637658  SOLV      855             0.0000000000
      4330       858  SWM4      OM              7.2861288329       12.0962964071        7.5998685837  SOLV      855             0.0000000000
      4331       858  SWM4      H1              7.1924718417       12.8421528747        7.2430883353  SOLV      855             0.0000000000
      4332       858  SWM4      H2              6.8098605633       11.4146013480        7.5710980916  SOLV      855             0.0000000000
      4333       859  SWM4      OH2             8.4452006080        4.2304920127       13.5876375311  SOLV      856             0.0000000000
      4334       859  SWM4      DOH2            8.4859776878        4.2102225994       13.5756691494  SOLV      856             0.0000000000
      4335       859  SWM4      OM              8.2638699399        4.3881878892       13.5917499247  SOLV      856             0.0000000000
      4336       859  SWM4      H1              7.5835727816        4.1433109927       13.1799268579  SOLV      856             0.0000000000
      4337       859  SWM4      H2              8.4227706466        5.0865021973       14.0153973238  SOLV      856             0.0000000000
      4338       860  SWM4      OH2            12.7697106171        6.4448720328        4.2474175474  SOLV      857             0.0000000000
      4339       860  SWM4      DOH2           12.8008822896        6.5121268396        4.1796347968  SOLV      857             0.0000000000
      4340       860  SWM4      OM             12.6650380844        6.2700519046        4.3748824215  SOLV      857             0.0000000000
      4341       860  SWM4      H1             12.5161917699        6.4640337184        5.1702269547  SOLV      857             0.0000000000
      4342       860  SWM4      H2             12.5129210038        5.5734117694        3.9460358796  SOLV      857             0.0000000000
      4343       861  SWM4      OH2             8.5362105652        9.1959419955       14.6826575445  SOLV      858             0.0000000000
      4344       861  SWM4      DOH2            8.5061194637        9.1265161752       14.6875770928  SOLV      858             0.0000000000
      4345       861  SWM4      OM              8.4122000382        9.3777150091       14.7793305286  SOLV      858             0.0000000000
      4346       861  SWM4      H1              7.8944198496        9.1556719791       15.3916670848  SOLV      858             0.0000000000
      4347       861  SWM4      H2              8.5734104854       10.1224126511       14.4449594133  SOLV      858             0.0000000000
      4348       862  SWM4      OH2             8.5331206106        9.4169520672        9.5946575449  SOLV      859             0.0000000000
      4349       862  SWM4      DOH2            8.5324290986        9.4202624876        9.6605139325  SOLV      859             0.0000000000
      4350       862  SWM4      OM              8.4424493291        9.2698226805        9.4276324849  SOLV      859             0.0000000000
      4351       862  SWM4      H1              7.6404113281        9.0765613718        9.5360381518  SOLV      859             0.0000000000
      4352       862  SWM4      H2              8.9837800532        9.0400425923        8.8389793085  SOLV      859             0.0000000000
      4353       863  SWM4      OH2            14.0686706263        9.8329819904        8.4117375851  SOLV      860             0.0000000000
      4354       863  SWM4      DOH2           14.0809152041        9.8168568731        8.4552155514  SOLV      860             0.0000000000
      4355       863  SWM4      OM             14.1325935346        9.9714052599        8.2259458174  SOLV      860             0.0000000000
      4356       863  SWM4      H1             13.6597005013       10.6478403499        8.1202172811  SOLV      860             0.0000000000
      4357       863  SWM4      H2             14.7892913079        9.6929928057        7.7974477578  SOLV      860             0.0000000000
      4358       864  SWM4      OH2            15.0734405832        9.2790220325       11.2257075448  SOLV      861             0.0000000000
      4359       864  SWM4      DOH2           15.0500705529        9.2365407555       11.2535075712  SOLV      861             0.0000000000
      4360       864  SWM4      OM             15.0705097300        9.2322967337       10.9899665508  SOLV      861             0.0000000000
      4361       864  SWM4      H1             14.8778917879        9.8847020623       10.5107685998  SOLV      861             0.0000000000
      4362       864  SWM4      H2             15.2547007953        8.4455420282       10.7913375607  SOLV      861             0.0000000000
      4363       865  SWM4      OH2             9.6520005535        6.8905220087        3.3484575564  SOLV      862             0.0000000000
      4364       865  SWM4      DOH2            9.7970965088        6.8891247522        3.4046262686  SOLV      862             0.0000000000
      4365       865  SWM4      OM              9.4163118256        6.8754746720        3.3930673198  SOLV      862             0.0000000000
      4366       865  SWM4      H1              9.2210715151        6.4455309805        4.0781954331  SOLV      862             0.0000000000
      4367       865  SWM4      H2              8.9338694808        7.2621519821        2.8362062003  SOLV      862             0.0000000000
      4368       866  SWM4      OH2             2.8943405916        6.6324720217       10.4003275470  SOLV      863             0.0000000000
      4369       866  SWM4      DOH2            2.8883183823        6.7144548868       10.3251221680  SOLV      863             0.0000000000
      4370       866  SWM4      OM              3.1159073214        6.5393659084       10.3980672276  SOLV      863             0.0000000000
      4371       866  SWM4      H1              3.5251104786        6.6036836406       11.1197180140  SOLV      863             0.0000000000
      4372       866  SWM4      H2              3.3437706340        6.2073423000        9.6699173191  SOLV      863             0.0000000000
      4373       867  SWM4      OH2             4.1685505751        7.3786720155        5.8243675508  SOLV      864             0.0000000000
      4374       867  SWM4      DOH2            4.2308699900        7.2908342191        5.8261035120  SOLV      864             0.0000000000
      4375       867  SWM4      OM              4.1186684293        7.6086640835        5.7755709768  SOLV      864             0.0000000000
      4376       867  SWM4      H1              4.6427203318        7.9696606921        5.2394584433  SOLV      864             0.0000000000
      4377       867  SWM4      H2              3.4511908946        7.9089601159        6.1713798307  SOLV      864             0.0000000000
      4378       868  SWM4      OH2            14.3373605409       10.9171519834       15.8969475266  SOLV      865             0.0000000000
      4379       868  SWM4      DOH2           14.3764555798       10.9652225589       15.9212837707  SOLV      865             0.0000000000
      4380       868  SWM4      OM             14.3134462943       10.6780277361       15.9005966912  SOLV      865             0.0000000000
      4381       868  SWM4      H1             14.6608400293       10.2861231409       15.2539982762  SOLV      865             0.0000000000
      4382       868  SWM4      H2             13.8972908919       10.3823724116       16.5576874638  SOLV      865             0.0000000000
      4383       869  SWM4      OH2            11.1146505920        6.8447020246       10.6810676342  SOLV      866             0.0000000000
      4384       869  SWM4      DOH2           11.1046368742        6.8416414721       10.6523818298  SOLV      866             0.0000000000
      4385       869  SWM4      OM             11.0314567048        6.8439287771       10.9065532572  SOLV      866             0.0000000000
      4386       869  SWM4      H1             10.2037622762        6.9013822615       10.9696675972  SOLV      866             0.0000000000
      4387       869  SWM4      H2             11.6199407975        6.7842519553       11.4917873405  SOLV      866             0.0000000000
      4388       870  SWM4      OH2             5.9429905839        8.4733320847        9.5078276603  SOLV      867             0.0000000000
      4389       870  SWM4      DOH2            5.8692639527        8.5140044047        9.5584262335  SOLV      867             0.0000000000
      4390       870  SWM4      OM              5.8214179278        8.3211063236        9.3670682418  SOLV      867             0.0000000000
      4391       870  SWM4      H1              5.0537929248        8.5728804161        9.1677901314  SOLV      867             0.0000000000
      4392       870  SWM4      H2              6.2394825480        7.6316338826        9.1616184286  SOLV      867             0.0000000000
      4393       871  SWM4      OH2             9.5961705773        8.4735920596        7.1642875571  SOLV      868             0.0000000000
      4394       871  SWM4      DOH2            9.4774706249        8.4551495442        7.2502068392  SOLV      868             0.0000000000
      4395       871  SWM4      OM              9.7431514302        8.6373613718        7.0676340720  SOLV      868             0.0000000000
      4396       871  SWM4      H1             10.5277213145        8.6025914443        7.3425987279  SOLV      868             0.0000000000
      4397       871  SWM4      H2              9.3812001497        9.1430225760        6.5147591015  SOLV      868             0.0000000000
      4398       872  SWM4      OH2            15.5198406126        6.0793320261       13.9452475860  SOLV      869             0.0000000000
      4399       872  SWM4      DOH2           15.5563455341        6.1062736077       13.9915348665  SOLV      869             0.0000000000
      4400       872  SWM4      OM             15.2814250062        6.0744625404       13.9152475490  SOLV      869             0.0000000000
      4401       872  SWM4      H1             14.8430015254        6.2106423919       14.6092185498  SOLV      869             0.0000000000
      4402       872  SWM4      H2             15.0343310716        5.9242813609       13.1350176614  SOLV      869             0.0000000000
      4403       873  SWM4      OH2             8.2701906287        9.6678120445        4.7308975663  SOLV      870             0.0000000000
      4404       873  SWM4      DOH2            8.2500199170        9.6323110006        4.7941100794  SOLV      870             0.0000000000
      4405       873  SWM4      OM              8.3298800771        9.6298345742        4.5012008998  SOLV      870             0.0000000000
      4406       873  SWM4      H1              7.7277029822        9.2881917391        4.0396584065  SOLV      870             0.0000000000
      4407       873  SWM4      H2              9.1036800797        9.8622828523        4.3023077444  SOLV      870             0.0000000000
      4408       874  SWM4      OH2             7.4365905531        5.7686120342        8.9865075759  SOLV      871             0.0000000000
      4409       874  SWM4      DOH2            7.4271703254        5.8131041286        9.0863078453  SOLV      871             0.0000000000
      4410       874  SWM4      OM              7.5318367624        5.5838605723        8.8658395395  SOLV      871             0.0000000000
      4411       874  SWM4      H1              7.1195412922        4.8661421013        8.9510465676  SOLV      871             0.0000000000
      4412       874  SWM4      H2              8.2179993551        5.7703512962        8.4336680121  SOLV      871             0.0000000000
      4413       875  SWM4      OH2            11.0612105888        8.0206119685       14.9820675850  SOLV      872             0.0000000000
      4414       875  SWM4      DOH2           11.0785616092        8.0411779041       15.0509755540  SOLV      872             0.0000000000
      4415       875  SWM4      OM             10.9973359568        8.1703044107       15.1589232081  SOLV      872             0.0000000000
      4416       875  SWM4      H1             10.2257414285        8.4745618469       15.0923079516  SOLV      872             0.0000000000
      4417       875  SWM4      H2             11.5852696970        8.2964619113       15.7340573259  SOLV      872             0.0000000000
      4418       876  SWM4      OH2            11.6054705996       14.2333820771        6.6667076016  SOLV      873             0.0000000000
      4419       876  SWM4      DOH2           11.6226095448       14.1847349278        6.6621715934  SOLV      873             0.0000000000
      4420       876  SWM4      OM             11.4251398774       14.1393029293        6.7947530404  SOLV      873             0.0000000000
      4421       876  SWM4      H1             10.8605712672       13.7259120511        6.3444989992  SOLV      873             0.0000000000
      4422       876  SWM4      H2             11.4711900575       14.2821811934        7.6131861414  SOLV      873             0.0000000000
      4423       877  SWM4      OH2            15.5031505025        7.0473720136        4.8659675404  SOLV      874             0.0000000000
      4424       877  SWM4      DOH2           15.4750595734        7.1045132730        4.8741128651  SOLV      874             0.0000000000
      4425       877  SWM4      OM             15.3715966942        7.2459735755        4.8978525048  SOLV      874             0.0000000000
      4426       877  SWM4      H1             14.5645715301        7.1589321698        4.7148485052  SOLV      874             0.0000000000
      4427       877  SWM4      H2             15.8003588140        7.9040623382        5.1725364909  SOLV      874             0.0000000000
      4428       878  SWM4      OH2             6.7303005769       13.5283820650       12.4364976124  SOLV      875             0.0000000000
      4429       878  SWM4      DOH2            6.7169626440       13.5830148470       12.4541048143  SOLV      875             0.0000000000
      4430       878  SWM4      OM              6.8989821209       13.3589475360       12.4119169138  SOLV      875             0.0000000000
      4431       878  SWM4      H1              7.4750180843       13.5259528208       11.8351492100  SOLV      875             0.0000000000
      4432       878  SWM4      H2              6.8079601183       12.7047632408       12.9180078520  SOLV      875             0.0000000000
      4433       879  SWM4      OH2            13.7308805815       15.6918120402        5.6921675917  SOLV      876             0.0000000000
      4434       879  SWM4      DOH2           13.7038816457       15.6549248802        5.6164227662  SOLV      876             0.0000000000
      4435       879  SWM4      OM             13.5261431973       15.7343695561        5.8106458941  SOLV      876             0.0000000000
      4436       879  SWM4      H1             13.4357212743       16.5186036450        6.0736486178  SOLV      876             0.0000000000
      4437       879  SWM4      H2             13.0278808813       15.0725021402        5.8883056411  SOLV      876             0.0000000000
      4438       880  SWM4      OH2             4.8600106196       11.9086120319        4.4278875305  SOLV      877             0.0000000000
      4439       880  SWM4      DOH2            5.0076210115       11.8551724564        4.4193742361  SOLV      877             0.0000000000
      4440       880  SWM4      OM              4.8096040800       12.1019716100        4.5614426111  SOLV      877             0.0000000000
      4441       880  SWM4      H1              5.4760000402       12.5353303758        4.8073667819  SOLV      877             0.0000000000
      4442       880  SWM4      H2              3.9982711214       12.2245920771        4.6995377636  SOLV      877             0.0000000000
      4443       881  SWM4      OH2            10.5324705493       14.7091920196        9.4170776215  SOLV      878             0.0000000000
      4444       881  SWM4      DOH2           10.5623897433       14.7266440323        9.3812552001  SOLV      878             0.0000000000
      4445       881  SWM4      OM             10.3311264190       14.8048905689        9.5068993128  SOLV      878             0.0000000000
      4446       881  SWM4      H1             10.2914708996       15.6346327360        9.4586075655  SOLV      878             0.0000000000
      4447       881  SWM4      H2              9.7918307866       14.2503231415        9.8134675221  SOLV      878             0.0000000000
      4448       882  SWM4      OH2            14.5912106232       14.9576219968       15.4327476330  SOLV      879             0.0000000000
      4449       882  SWM4      DOH2           14.5944390921       14.9742162298       15.4153573094  SOLV      879             0.0000000000
      4450       882  SWM4      OM             14.6229440537       14.7593461450       15.5648281436  SOLV      879             0.0000000000
      4451       882  SWM4      H1             14.1653403013       14.7297919051       16.2591470199  SOLV      879             0.0000000000
      4452       882  SWM4      H2             15.1717903872       14.2188022359       15.2502778077  SOLV      879             0.0000000000
      4453       883  SWM4      OH2             6.2750505747       13.8209920062        5.9204475551  SOLV      880             0.0000000000
      4454       883  SWM4      DOH2            6.3331324082       13.7670494491        5.9760363291  SOLV      880             0.0000000000
      4455       883  SWM4      OM              6.2415596409       14.0497387508        5.9861665788  SOLV      880             0.0000000000
      4456       883  SWM4      H1              5.5889822689       14.1732418143        6.4874184309  SOLV      880             0.0000000000
      4457       883  SWM4      H2              6.7978406086       14.5839517904        5.6738768578  SOLV      880             0.0000000000
      4458       884  SWM4      OH2            14.8910506023        6.1355420368        7.2965775744  SOLV      881             0.0000000000
      4459       884  SWM4      DOH2           14.8574280322        6.1296134950        7.3490354508  SOLV      881             0.0000000000
      4460       884  SWM4      OM             15.0506751750        6.3131285783        7.2692156408  SOLV      881             0.0000000000
      4461       884  SWM4      H1             15.1108792968        6.6070817079        6.4931190764  SOLV      881             0.0000000000
      4462       884  SWM4      H2             15.4494498991        6.5298017619        7.9666368903  SOLV      881             0.0000000000
      4463       885  SWM4      OH2            12.0910405809        7.8634220433        8.1314175728  SOLV      882             0.0000000000
      4464       885  SWM4      DOH2           12.0091497632        7.9050915784        8.1056983172  SOLV      882             0.0000000000
      4465       885  SWM4      OM             12.2074536007        7.9371163951        8.3283511063  SOLV      882             0.0000000000
      4466       885  SWM4      H1             12.9032999910        8.3677410609        8.1775872862  SOLV      882             0.0000000000
      4467       885  SWM4      H2             11.8463401984        7.7183919119        9.0453760917  SOLV      882             0.0000000000
      4468       886  SWM4      OH2            12.9747106399        4.9447219932        9.0695276036  SOLV      883             0.0000000000
      4469       886  SWM4      DOH2           12.8656361376        4.7836491086        9.0087853204  SOLV      883             0.0000000000
      4470       886  SWM4      OM             13.0387144296        5.1739635025        9.1029572330  SOLV      883             0.0000000000
      4471       886  SWM4      H1             12.6280603360        5.5617815626        9.7139580027  SOLV      883             0.0000000000
      4472       886  SWM4      H2             13.6334013720        5.4452909679        8.5880784405  SOLV      883             0.0000000000
      4473       887  SWM4      OH2             8.6324105855        6.0076620199        5.7567775387  SOLV      884             0.0000000000
      4474       887  SWM4      DOH2            8.5937247019        6.0439422710        5.6875280595  SOLV      884             0.0000000000
      4475       887  SWM4      OM              8.7978378160        6.1354443630        5.8753996583  SOLV      884             0.0000000000
      4476       887  SWM4      H1              8.5488904301        6.8959714927        6.1034168730  SOLV      884             0.0000000000
      4477       887  SWM4      H2              9.5224405792        5.7423314929        5.9884582457  SOLV      884             0.0000000000
      4478       888  SWM4      OH2             5.2068605967        9.0991820288        3.9331675607  SOLV      885             0.0000000000
      4479       888  SWM4      DOH2            5.2994532820        9.0991876054        3.9252269076  SOLV      885             0.0000000000
      4480       888  SWM4      OM              5.0156089228        9.2435406032        3.9144837679  SOLV      885             0.0000000000
      4481       888  SWM4      H1              5.1621212469       10.0384906887        4.1118673275  SOLV      885             0.0000000000
      4482       888  SWM4      H2              4.3191798550        8.8636728294        3.6633776041  SOLV      885             0.0000000000
      4483       889  SWM4      OH2             6.0150605609        3.8808420350       12.6062674945  SOLV      886             0.0000000000
      4484       889  SWM4      DOH2            6.0984317460        3.9520779630       12.5898547757  SOLV      886             0.0000000000
      4485       889  SWM4      OM              5.8772893998        3.7306572778       12.4788733783  SOLV      886             0.0000000000
      4486       889  SWM4      H1              5.7860416088        3.9400923424       11.6787687881  SOLV      886             0.0000000000
      4487       889  SWM4      H2              5.5724005398        3.0893927563       12.9126785997  SOLV      886             0.0000000000
      4488       890  SWM4      OH2             8.4820805689       14.5879020002        3.1835375749  SOLV      887             0.0000000000
      4489       890  SWM4      DOH2            8.5163576100       14.6720694030        3.1098081958  SOLV      887             0.0000000000
      4490       890  SWM4      OM              8.6292152045       14.4006819898        3.1508919412  SOLV      887             0.0000000000
      4491       890  SWM4      H1              8.5464897603       13.7938618184        3.7141783921  SOLV      887             0.0000000000
      4492       890  SWM4      H2              9.1350009669       14.4691828000        2.4937390975  SOLV      887             0.0000000000
      4493       891  SWM4      OH2            13.8344205680       15.6350720628        2.9193375713  SOLV      888             0.0000000000
      4494       891  SWM4      DOH2           13.8349873506       15.6816425312        2.8456607269  SOLV      888             0.0000000000
      4495       891  SWM4      OM             13.7369848045       15.4822264772        3.0771671869  SOLV      888             0.0000000000
      4496       891  SWM4      H1             13.5658298525       15.8152815327        3.8202268978  SOLV      888             0.0000000000
      4497       891  SWM4      H2             13.6279806987       14.7096920072        2.7879177534  SOLV      888             0.0000000000
      4498       892  SWM4      OH2             9.6314605890       12.5605220510        5.4893375659  SOLV      889             0.0000000000
      4499       892  SWM4      DOH2            9.6736633716       12.5468140721        5.5208720783  SOLV      889             0.0000000000
      4500       892  SWM4      OM              9.5894268875       12.3241026814        5.4995728602  SOLV      889             0.0000000000
      4501       892  SWM4      H1              9.1716605571       12.0763521891        6.1751879164  SOLV      889             0.0000000000
      4502       892  SWM4      H2              9.8863311976       11.8920619940        4.8533882153  SOLV      889             0.0000000000
      4503       893  SWM4      OH2            10.7025005689       10.8037021272        3.7516575704  SOLV      890             0.0000000000
      4504       893  SWM4      DOH2           10.6229707115       10.8422246654        3.8702336061  SOLV      890             0.0000000000
      4505       893  SWM4      OM             10.8603470117       10.7940594250        3.5706679834  SOLV      890             0.0000000000
      4506       893  SWM4      H1             10.5220001637       10.6488209217        2.8244883945  SOLV      890             0.0000000000
      4507       893  SWM4      H2             11.6525505400       10.9115730084        3.7964471507  SOLV      890             0.0000000000
      4508       894  SWM4      OH2             3.7670905779       12.6795419913       13.5693275502  SOLV      891             0.0000000000
      4509       894  SWM4      DOH2            3.7514395065       12.6590741846       13.6039030095  SOLV      891             0.0000000000
      4510       894  SWM4      OM              3.9790949346       12.6372614630       13.4642933376  SOLV      891             0.0000000000
      4511       894  SWM4      H1              3.9513784700       12.5977118411       12.6336188822  SOLV      891             0.0000000000
      4512       894  SWM4      H2              4.6163784083       12.5552434666       13.9929670564  SOLV      891             0.0000000000
      4513       895  SWM4      OH2             4.5858205712        6.2622020293       12.6014976105  SOLV      892             0.0000000000
      4514       895  SWM4      DOH2            4.5215295197        6.2756889115       12.5688213134  SOLV      892             0.0000000000
      4515       895  SWM4      OM              4.7727741255        6.2467715916       12.7517504825  SOLV      892             0.0000000000
      4516       895  SWM4      H1              5.0309792351        5.4704524247       12.9034685530  SOLV      892             0.0000000000
      4517       895  SWM4      H2              5.0521196561        6.9787237272       13.0320581368  SOLV      892             0.0000000000
      4518       896  SWM4      OH2             2.8898505982        9.2615020656       13.6705175128  SOLV      893             0.0000000000
      4519       896  SWM4      DOH2            2.9270418576        9.3008261927       13.6658654166  SOLV      893             0.0000000000
      4520       896  SWM4      OM              3.0650322683        9.3885476999       13.5659402498  SOLV      893             0.0000000000
      4521       896  SWM4      H1              3.3818309638        9.0405528853       12.8797170461  SOLV      893             0.0000000000
      4522       896  SWM4      H2              3.2519401721       10.1018421699       13.9514680654  SOLV      893             0.0000000000
      4523       897  SWM4      OH2             3.2035005807        5.5194120214        7.7247575834  SOLV      894             0.0000000000
      4524       897  SWM4      DOH2            3.2364460473        5.5054339245        7.7293427098  SOLV      894             0.0000000000
      4525       897  SWM4      OM              3.1068563433        5.6615034689        7.5567230279  SOLV      894             0.0000000000
      4526       897  SWM4      H1              2.2783418608        5.7280733471        7.5953072038  SOLV      894             0.0000000000
      4527       897  SWM4      H2              3.6574893272        6.0034891769        7.0349890286  SOLV      894             0.0000000000
      4528       898  SWM4      OH2            13.3166705723        5.1303419912       12.0778174941  SOLV      895             0.0000000000
      4529       898  SWM4      DOH2           13.3392227974        5.1105540033       12.0340756593  SOLV      895             0.0000000000
      4530       898  SWM4      OM             13.2940260360        4.9019374863       12.0065138324  SOLV      895             0.0000000000
      4531       898  SWM4      H1             12.6423516895        4.5009025510       12.3333968834  SOLV      895             0.0000000000
      4532       898  SWM4      H2             13.8805895702        4.6462322019       11.4746081086  SOLV      895             0.0000000000
      4533       899  SWM4      OH2             5.6434205890        3.7643720329        9.8998075746  SOLV      896             0.0000000000
      4534       899  SWM4      DOH2            5.6671765438        3.8527548610        9.9336205794  SOLV      896             0.0000000000
      4535       899  SWM4      OM              5.5928276936        3.5528382727        9.7975357770  SOLV      896             0.0000000000
      4536       899  SWM4      H1              4.8664029137        3.5298620922        9.3923986944  SOLV      896             0.0000000000
      4537       899  SWM4      H2              6.1737810850        2.9675825143        9.9086065140  SOLV      896             0.0000000000
      4538       900  SWM4      OH2             4.4797605934        3.5621820288        5.7034175362  SOLV      897             0.0000000000
      4539       900  SWM4      DOH2            4.5152302984        3.4978375483        5.5974870881  SOLV      897             0.0000000000
      4540       900  SWM4      OM              4.4398264994        3.7979543834        5.6792858521  SOLV      897             0.0000000000
      4541       900  SWM4      H1              4.9188288989        4.1732303157        5.1117686530  SOLV      897             0.0000000000
      4542       900  SWM4      H2              3.8460022971        4.1005901862        6.1774176412  SOLV      897             0.0000000000
      4543       901  SWM4      OH2            10.2226806132        3.6910820220        9.7131176058  SOLV      898             0.0000000000
      4544       901  SWM4      DOH2           10.1574173135        3.6125919981        9.7237410819  SOLV      898             0.0000000000
      4545       901  SWM4      OM             10.3741433133        3.7266104988        9.8963180156  SOLV      898             0.0000000000
      4546       901  SWM4      H1             11.0970199359        4.0795119671        9.6835474998  SOLV      898             0.0000000000
      4547       901  SWM4      H2             10.0867606871        3.4758625053       10.6358366200  SOLV      898             0.0000000000
      4548       902  SWM4      OH2            15.7795205672        3.7210620321       11.3622876005  SOLV      899             0.0000000000
      4549       902  SWM4      DOH2           15.7006478500        3.7907970376       11.3807858431  SOLV      899             0.0000000000
      4550       902  SWM4      OM             15.7387187881        3.5543957657       11.1939923634  SOLV      899             0.0000000000
      4551       902  SWM4      H1             15.8556794892        3.8162220492       10.4128873342  SOLV      899             0.0000000000
      4552       902  SWM4      H2             15.5044399694        2.8133531274       11.4911972241  SOLV      899             0.0000000000
      4553       903  SWM4      OH2             6.3406705596        5.4783320017        4.1458275429  SOLV      900             0.0000000000
      4554       903  SWM4      DOH2            6.2841013774        5.4795284105        4.0884183442  SOLV      900             0.0000000000
      4555       903  SWM4      OM              6.5693688132        5.4098599983        4.1736556481  SOLV      900             0.0000000000
      4556       903  SWM4      H1              6.8320104063        4.8485702881        3.6183775467  SOLV      900             0.0000000000
      4557       903  SWM4      H2              6.9643012810        5.7742722332        4.8089475194  SOLV      900             0.0000000000
      4558       904  SWM4      OH2            11.3666806354        5.7714820170        6.6028775535  SOLV      901             0.0000000000
      4559       904  SWM4      DOH2           11.3674977987        5.7316107641        6.6141149615  SOLV      901             0.0000000000
      4560       904  SWM4      OM             11.3922689235        5.8098569427        6.8387552560  SOLV      901             0.0000000000
      4561       904  SWM4      H1             11.5448108520        5.1248009107        7.2857380248  SOLV      901             0.0000000000
      4562       904  SWM4      H2             11.3133009930        6.6052511824        7.0699867471  SOLV      901             0.0000000000
      4563       905  POT       POT            -6.0679001570       13.0088001545       -6.4224996643  POT       1               0.0000000000
      4564       905  POT       DPOT           -6.1207241434       13.0190942579       -6.3796852099  POT       1               0.0000000000
      4565       906  POT       POT            -5.5422094876      -10.1676009210       -0.6098236126  POT       2               0.0000000000
      4566       906  POT       DPOT           -5.4783816805      -10.1918971355       -0.5958455713  POT       2               0.0000000000
      4567       907  POT       POT           -15.3546995303       -7.6718098135       -2.9529902261  POT       3               0.0000000000
      4568       907  POT       DPOT          -15.3314556837       -7.7120951630       -2.9855096264  POT       3               0.0000000000
      4569       908  POT       POT            12.0711014542       14.5574005291       -7.5697303009  POT       4               0.0000000000
      4570       908  POT       DPOT           12.0949844109       14.5909445736       -7.5275579409  POT       4               0.0000000000
      4571       909  POT       POT           -14.5424005992       -9.6491790348      -10.7775988795  POT       5               0.0000000000
      4572       909  POT       DPOT          -14.5137947355       -9.6496409611      -10.7624254174  POT       5               0.0000000000
      4573       910  POT       POT             6.4314600543       -9.5515502504       15.8945997087  POT       6               0.0000000000
      4574       910  POT       DPOT            6.4103829433       -9.5697557614       16.0088724083  POT       6               0.0000000000
      4575       911  POT       POT            10.4819996751        2.6364500293        2.6840999275  POT       7               0.0000000000
      4576       911  POT       DPOT           10.5183823602        2.6532397379        2.7183158198  POT       7               0.0000000000
      4577       912  POT       POT             6.4108203357        0.9127040309        5.7177305215  POT       8               0.0000000000
      4578       912  POT       DPOT            6.4231037228        0.9515390548        5.6931876421  POT       8               0.0000000000
      4579       913  POT       POT             9.0220804276       15.8994001417       13.8097006850  POT       9               0.0000000000
      4580       913  POT       DPOT            9.0008859681       15.9097665766       13.8526138825  POT       9               0.0000000000
      4581       914  POT       POT            14.5695999032       15.4173996234       -2.6206701849  POT       10              0.0000000000
      4582       914  POT       DPOT           14.5931009150       15.4735317484       -2.6456519878  POT       10              0.0000000000
      4583       915  POT       POT            -5.6132802882        6.4640301262      -13.4754001827  POT       11              0.0000000000
      4584       915  POT       DPOT           -5.5590496241        6.4380518477      -13.4339121826  POT       11              0.0000000000
      4585       916  POT       POT            -3.1069099150       -9.2330198806        4.1024597573  POT       12              0.0000000000
      4586       916  POT       DPOT           -3.1138040911       -9.2942535864        4.1774404617  POT       12              0.0000000000
      4587       917  POT       POT            15.9428992940      -15.6406997846      -11.9378998679  POT       13              0.0000000000
      4588       917  POT       DPOT           15.9507761610      -15.6403002429      -11.9175638176  POT       13              0.0000000000
      4589       918  POT       POT            -7.5368997596       12.3823012134       -0.9509763667  POT       14              0.0000000000
      4590       918  POT       DPOT           -7.5149694745       12.3994103627       -0.8954102190  POT       14              0.0000000000
      4591       919  POT       POT            -1.2587198383       15.9550992102       13.9781002672  POT       15              0.0000000000
      4592       919  POT       DPOT           -1.2909001451       15.9689024034       13.9838518872  POT       15              0.0000000000
      4593       920  POT       POT             1.1295005577      -14.6176004531        5.4440307087  POT       16              0.0000000000
      4594       920  POT       DPOT            1.1904603463      -14.5152590192        5.4564499284  POT       16              0.0000000000
      4595       921  POT       POT            -4.7489298189        9.7287396400       12.5599001553  POT       17              0.0000000000
      4596       921  POT       DPOT           -4.7957469265        9.7366903418       12.6130236780  POT       17              0.0000000000
      4597       922  POT       POT            15.7964991677        8.8336594347       -4.2141804281  POT       18              0.0000000000
      4598       922  POT       DPOT           15.7358954548        8.8500766660       -4.0680257117  POT       18              0.0000000000
      4599       923  POT       POT             0.6048641068       -0.4340800903      -15.7827005685  POT       19              0.0000000000
      4600       923  POT       DPOT            0.5693765071       -0.4323934866      -15.8106457526  POT       19              0.0000000000
      4601       924  POT       POT           -14.9847998719       11.3500996689        6.7607999336  POT       20              0.0000000000
      4602       924  POT       DPOT          -14.9820194419       11.3522228553        6.6800352253  POT       20              0.0000000000
      4603       925  CLA       CLA             6.3304599751      -11.2259000296        4.4630399847  CLA       1               0.0000000000
      4604       925  CLA       DCLA            6.2044933313      -11.2951401939        4.4738083244  CLA       1               0.0000000000
      4605       926  CLA       CLA             7.2001899518        3.0626201193      -15.9903999769  CLA       2               0.0000000000
      4606       926  CLA       DCLA            7.3162924663        3.2088578297      -15.9372368185  CLA       2               0.0000000000
      4607       927  CLA       CLA            -8.6306199799      -14.2209999437       13.6955999647  CLA       3               0.0000000000
      4608       927  CLA       DCLA           -8.5925949176      -14.1061391410       13.6265443191  CLA       3               0.0000000000
      4609       928  CLA       CLA            -5.7203799853        2.6347800178       11.9833000081  CLA       4               0.0000000000
      4610       928  CLA       DCLA           -5.7239630651        2.6470396094       12.0496684253  CLA       4               0.0000000000
      4611       929  CLA       CLA             1.1785000132      -14.5230999849       -0.8856960068  CLA       5               0.0000000000
      4612       929  CLA       DCLA            1.3150122085      -14.4683701399       -0.8444236151  CLA       5               0.0000000000
      4613       930  CLA       CLA           -14.7338999800       15.3296000566        0.9195839047  CLA       6               0.0000000000
      4614       930  CLA       DCLA          -14.8016747427       15.4270275927        0.8662412972  CLA       6               0.0000000000
      4615       931  CLA       CLA            12.4140000827      -13.4605999888       -4.8198699570  CLA       7               0.0000000000
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