* GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) VERSION ON JUL, 21. 2014. * SOLVATE PROTEIN IN WATER BOX * DATE: 7/21/14 14:24:37 CREATED BY USER: charmm-gui * 2776 EXT 1 1 ALA N -4.7646055673 -0.3618371390 0.0735617208 PROA 1 0.0000000000 2 1 ALA HT1 -4.7996634109 -1.3304972133 -0.3033581751 PROA 1 0.0000000000 3 1 ALA HT2 -5.5731390725 0.1814034937 -0.2908046087 PROA 1 0.0000000000 4 1 ALA HT3 -4.8078222136 -0.3922319184 1.1122186011 PROA 1 0.0000000000 5 1 ALA CA -3.5299035243 0.2737327216 -0.3400828335 PROA 1 0.0000000000 6 1 ALA HA -3.5153130377 0.2901499050 -1.4197257320 PROA 1 0.0000000000 7 1 ALA CB -3.4299149019 1.6912739909 0.2128330961 PROA 1 0.0000000000 8 1 ALA HB1 -3.4570838329 1.6707514659 1.3233112251 PROA 1 0.0000000000 9 1 ALA HB2 -4.2844607014 2.3004911365 -0.1516666251 PROA 1 0.0000000000 10 1 ALA HB3 -2.4741320560 2.1565581385 -0.1100351654 PROA 1 0.0000000000 11 1 ALA C -2.3198781403 -0.5058402066 0.1561445535 PROA 1 0.0000000000 12 1 ALA O -2.4667938486 -1.5318232477 0.8163320831 PROA 1 0.0000000000 13 2 ALA N -1.1205168372 -0.0143565302 -0.1647249846 PROA 2 0.0000000000 14 2 ALA HN -1.0164952188 0.8194058366 -0.7011617799 PROA 2 0.0000000000 15 2 ALA CA 0.1075572364 -0.6635296852 0.2475968369 PROA 2 0.0000000000 16 2 ALA HA 0.1275879652 -0.6818718142 1.3271261763 PROA 2 0.0000000000 17 2 ALA CB 0.1907339895 -2.0826154992 -0.3050749284 PROA 2 0.0000000000 18 2 ALA HB1 0.1622782521 -2.0621630151 -1.4155221207 PROA 2 0.0000000000 19 2 ALA HB2 -0.6701616734 -2.6819840204 0.0608077496 PROA 2 0.0000000000 20 2 ALA HB3 1.1416232995 -2.5585935036 0.0166525342 PROA 2 0.0000000000 21 2 ALA C 1.3256456113 0.1019056125 -0.2494680644 PROA 2 0.0000000000 22 2 ALA O 1.1900743990 1.1293338846 -0.9094298754 PROA 2 0.0000000000 23 3 ALA N 2.5194189101 -0.4030900815 0.0703047616 PROA 3 0.0000000000 24 3 ALA HN 2.6146180001 -1.2379708512 0.6066461263 PROA 3 0.0000000000 25 3 ALA CA 3.7541209531 0.2324797791 -0.3433397927 PROA 3 0.0000000000 26 3 ALA HA 3.7729160383 0.2510226974 -1.4228874490 PROA 3 0.0000000000 27 3 ALA CB 3.8541095755 1.6500210484 0.2095761369 PROA 3 0.0000000000 28 3 ALA HB1 3.6471781201 1.6495579895 1.3011347283 PROA 3 0.0000000000 29 3 ALA HB2 3.1101236696 2.3049801779 -0.2921883608 PROA 3 0.0000000000 30 3 ALA HB3 4.8771659651 2.0497190103 0.0426891583 PROA 3 0.0000000000 31 3 ALA C 4.9646770700 -0.5463812144 0.1524277341 PROA 3 0.0000000000 32 3 ALA OT1 4.7603759704 -1.5918484721 0.8253759296 PROA 3 0.0000000000 33 3 ALA OT2 6.1096790112 -0.1061524764 -0.1352686560 PROA 3 0.0000000000 34 4 TIP3 OH2 -5.2011894112 -6.6803279730 -5.5786224389 SOLV 1 0.0000000000 35 4 TIP3 H1 -5.2394394112 -7.3266979730 -4.8736624389 SOLV 1 0.0000000000 36 4 TIP3 H2 -5.5235394112 -7.1468879730 -6.3497524389 SOLV 1 0.0000000000 37 5 TIP3 OH2 -1.4951694112 -3.7412879730 -7.2771124389 SOLV 2 0.0000000000 38 5 TIP3 H1 -1.9358994112 -4.4616879730 -6.8265524389 SOLV 2 0.0000000000 39 5 TIP3 H2 -1.5081994112 -3.0205679730 -6.6473424389 SOLV 2 0.0000000000 40 6 TIP3 OH2 -11.9093794112 -2.6162279730 -5.4507224389 SOLV 3 0.0000000000 41 6 TIP3 H1 -12.2788594112 -3.4181779730 -5.8202924389 SOLV 3 0.0000000000 42 6 TIP3 H2 -10.9682694112 -2.7847379730 -5.4043824389 SOLV 3 0.0000000000 43 7 TIP3 OH2 -14.5887194112 -6.7940079730 -7.9320424389 SOLV 4 0.0000000000 44 7 TIP3 H1 -14.3753694112 -7.5638479730 -7.4047424389 SOLV 4 0.0000000000 45 7 TIP3 H2 -13.8509594112 -6.7043379730 -8.5352824389 SOLV 4 0.0000000000 46 8 TIP3 OH2 -4.3836194112 1.3628820270 -7.0650724389 SOLV 5 0.0000000000 47 8 TIP3 H1 -3.7639794112 0.6863520270 -7.3381524389 SOLV 5 0.0000000000 48 8 TIP3 H2 -4.5918794112 1.1449620270 -6.1565824389 SOLV 5 0.0000000000 49 9 TIP3 OH2 -6.8117494112 -4.2481879730 -5.1725224389 SOLV 6 0.0000000000 50 9 TIP3 H1 -6.5079594112 -4.9340479730 -5.7671124389 SOLV 6 0.0000000000 51 9 TIP3 H2 -6.0903494112 -4.1293179730 -4.5547224389 SOLV 6 0.0000000000 52 10 TIP3 OH2 1.8512305888 -12.6466579730 -4.3119024389 SOLV 7 0.0000000000 53 10 TIP3 H1 1.9004505888 -12.0365379730 -3.5759924389 SOLV 7 0.0000000000 54 10 TIP3 H2 2.2767405888 -12.1855679730 -5.0347924389 SOLV 7 0.0000000000 55 11 TIP3 OH2 -3.6710494112 -9.8539479730 -4.8450424389 SOLV 8 0.0000000000 56 11 TIP3 H1 -3.5284594112 -10.8002479730 -4.8248824389 SOLV 8 0.0000000000 57 11 TIP3 H2 -3.7771494112 -9.6469679730 -5.7735524389 SOLV 8 0.0000000000 58 12 TIP3 OH2 -10.5162194112 -11.7523079730 -7.5725624389 SOLV 9 0.0000000000 59 12 TIP3 H1 -10.4731094112 -10.8924579730 -7.9909324389 SOLV 9 0.0000000000 60 12 TIP3 H2 -10.9738094112 -12.3048379730 -8.2062424389 SOLV 9 0.0000000000 61 13 TIP3 OH2 -2.7939494112 -11.6217479730 -9.1717324389 SOLV 10 0.0000000000 62 13 TIP3 H1 -2.1475194112 -11.9504279730 -8.5469724389 SOLV 10 0.0000000000 63 13 TIP3 H2 -2.2840094112 -11.1038479730 -9.7945924389 SOLV 10 0.0000000000 64 14 TIP3 OH2 -13.8960694112 -9.3557279730 -6.8104224389 SOLV 11 0.0000000000 65 14 TIP3 H1 -13.2424094112 -9.9055579730 -6.3784124389 SOLV 11 0.0000000000 66 14 TIP3 H2 -13.8721394112 -9.6298279730 -7.7272224389 SOLV 11 0.0000000000 67 15 TIP3 OH2 -8.7396194112 -7.8055979730 -7.5952724389 SOLV 12 0.0000000000 68 15 TIP3 H1 -8.1235194112 -8.3320579730 -7.0858724389 SOLV 12 0.0000000000 69 15 TIP3 H2 -9.3257394112 -8.4457279730 -7.9989124389 SOLV 12 0.0000000000 70 16 TIP3 OH2 2.2426905888 -11.1687379730 -2.0759224389 SOLV 13 0.0000000000 71 16 TIP3 H1 1.5541505888 -10.5106679730 -2.1712624389 SOLV 13 0.0000000000 72 16 TIP3 H2 2.2581505888 -11.3659479730 -1.1393824389 SOLV 13 0.0000000000 73 17 TIP3 OH2 -11.7060294112 -12.8344679730 -3.4984824389 SOLV 14 0.0000000000 74 17 TIP3 H1 -11.9248594112 -12.3044079730 -4.2648824389 SOLV 14 0.0000000000 75 17 TIP3 H2 -12.3739394112 -12.6079179730 -2.8513424389 SOLV 14 0.0000000000 76 18 TIP3 OH2 -4.3370494112 -3.3343579730 -9.9545724389 SOLV 15 0.0000000000 77 18 TIP3 H1 -4.6325394112 -3.6571279730 -10.8058824389 SOLV 15 0.0000000000 78 18 TIP3 H2 -4.6612694112 -2.4346879730 -9.9133124389 SOLV 15 0.0000000000 79 19 TIP3 OH2 -9.1368894112 -5.1588979730 -3.2111124389 SOLV 16 0.0000000000 80 19 TIP3 H1 -9.8769794112 -4.5607479730 -3.1075924389 SOLV 16 0.0000000000 81 19 TIP3 H2 -8.4229394112 -4.6049379730 -3.5267524389 SOLV 16 0.0000000000 82 20 TIP3 OH2 -1.0301094112 -12.3308179730 -7.1911424389 SOLV 17 0.0000000000 83 20 TIP3 H1 -1.2453094112 -13.0964779730 -6.6585424389 SOLV 17 0.0000000000 84 20 TIP3 H2 -0.3743694112 -11.8583579730 -6.6782924389 SOLV 17 0.0000000000 85 21 TIP3 OH2 -12.1122994112 -10.9422879730 -5.5462624389 SOLV 18 0.0000000000 86 21 TIP3 H1 -11.4986694112 -10.3095279730 -5.1730224389 SOLV 18 0.0000000000 87 21 TIP3 H2 -11.6002294112 -11.4147879730 -6.2025724389 SOLV 18 0.0000000000 88 22 TIP3 OH2 -10.7294594112 -3.1945979730 -2.4239624389 SOLV 19 0.0000000000 89 22 TIP3 H1 -10.7346994112 -2.3152479730 -2.8020324389 SOLV 19 0.0000000000 90 22 TIP3 H2 -11.5830494112 -3.2781879730 -1.9989724389 SOLV 19 0.0000000000 91 23 TIP3 OH2 -14.6083694112 -3.5238079730 -11.6420324389 SOLV 20 0.0000000000 92 23 TIP3 H1 -14.8802794112 -3.2947079730 -12.5307424389 SOLV 20 0.0000000000 93 23 TIP3 H2 -14.5627994112 -2.6859279730 -11.1815024389 SOLV 20 0.0000000000 94 24 TIP3 OH2 -0.9833994112 -1.9022179730 -4.9291824389 SOLV 21 0.0000000000 95 24 TIP3 H1 -1.9250294112 -1.8438279730 -4.7674924389 SOLV 21 0.0000000000 96 24 TIP3 H2 -0.7067894112 -0.9961679730 -5.0662124389 SOLV 21 0.0000000000 97 25 TIP3 OH2 -0.6826994112 -13.6156879730 -3.5117924389 SOLV 22 0.0000000000 98 25 TIP3 H1 -1.4187794112 -13.0049779730 -3.5496624389 SOLV 22 0.0000000000 99 25 TIP3 H2 0.0007005888 -13.2007879730 -4.0381524389 SOLV 22 0.0000000000 100 26 TIP3 OH2 -7.6795594112 -15.5289579730 -6.0459924389 SOLV 23 0.0000000000 101 26 TIP3 H1 -7.7971394112 -16.4773579730 -6.1001624389 SOLV 23 0.0000000000 102 26 TIP3 H2 -8.5345494112 -15.1963479730 -5.7728824389 SOLV 23 0.0000000000 103 27 TIP3 OH2 -2.7312794112 -0.1208679730 -8.3040224389 SOLV 24 0.0000000000 104 27 TIP3 H1 -2.3060494112 -0.8280779730 -8.7890624389 SOLV 24 0.0000000000 105 27 TIP3 H2 -2.4142794112 0.6804020270 -8.7208024389 SOLV 24 0.0000000000 106 28 TIP3 OH2 -1.5716294112 -2.2200179730 -9.7953624389 SOLV 25 0.0000000000 107 28 TIP3 H1 -1.8291494112 -2.9100079730 -10.4067724389 SOLV 25 0.0000000000 108 28 TIP3 H2 -1.5005494112 -2.6628979730 -8.9497724389 SOLV 25 0.0000000000 109 29 TIP3 OH2 -5.4130694112 -6.6913979730 -11.5454124389 SOLV 26 0.0000000000 110 29 TIP3 H1 -6.1245194112 -6.1564279730 -11.8973624389 SOLV 26 0.0000000000 111 29 TIP3 H2 -4.7221094112 -6.6361879730 -12.2055224389 SOLV 26 0.0000000000 112 30 TIP3 OH2 -5.3591494112 -8.2339679730 -14.5069124389 SOLV 27 0.0000000000 113 30 TIP3 H1 -4.6581594112 -8.2112779730 -13.8555124389 SOLV 27 0.0000000000 114 30 TIP3 H2 -5.0568594112 -8.8619979730 -15.1629824389 SOLV 27 0.0000000000 115 31 TIP3 OH2 1.9563205888 -7.3135479730 -3.2519724389 SOLV 28 0.0000000000 116 31 TIP3 H1 1.3037305888 -6.6189879730 -3.1628824389 SOLV 28 0.0000000000 117 31 TIP3 H2 2.4213505888 -7.1034579730 -4.0618124389 SOLV 28 0.0000000000 118 32 TIP3 OH2 -2.1099494112 -8.3078079730 -1.5261224389 SOLV 29 0.0000000000 119 32 TIP3 H1 -2.0300394112 -7.5443679730 -0.9542724389 SOLV 29 0.0000000000 120 32 TIP3 H2 -2.7111794112 -8.0285679730 -2.2166124389 SOLV 29 0.0000000000 121 33 TIP3 OH2 -10.3619294112 -5.8514479730 -8.7113224389 SOLV 30 0.0000000000 122 33 TIP3 H1 -10.6924094112 -6.2221079730 -9.5296224389 SOLV 30 0.0000000000 123 33 TIP3 H2 -9.7735194112 -6.5220479730 -8.3644924389 SOLV 30 0.0000000000 124 34 TIP3 OH2 -8.9951794112 -2.4233879730 -6.0301024389 SOLV 31 0.0000000000 125 34 TIP3 H1 -9.0900494112 -3.0020779730 -6.7866424389 SOLV 31 0.0000000000 126 34 TIP3 H2 -8.2658194112 -2.7948179730 -5.5338224389 SOLV 31 0.0000000000 127 35 TIP3 OH2 -9.9953794112 -7.0828879730 -5.0778224389 SOLV 32 0.0000000000 128 35 TIP3 H1 -9.4301294112 -6.9614679730 -5.8407024389 SOLV 32 0.0000000000 129 35 TIP3 H2 -9.6764894112 -6.4453879730 -4.4389724389 SOLV 32 0.0000000000 130 36 TIP3 OH2 -3.6861594112 -1.5796979730 -4.3437724389 SOLV 33 0.0000000000 131 36 TIP3 H1 -3.9264994112 -0.9173879730 -3.6958524389 SOLV 33 0.0000000000 132 36 TIP3 H2 -3.8843394112 -2.4141779730 -3.9188124389 SOLV 33 0.0000000000 133 37 TIP3 OH2 -9.1153094112 -2.6836179730 -0.3606324389 SOLV 34 0.0000000000 134 37 TIP3 H1 -9.4265594112 -1.9012979730 0.0946875611 SOLV 34 0.0000000000 135 37 TIP3 H2 -9.7652894112 -2.8367079730 -1.0464324389 SOLV 34 0.0000000000 136 38 TIP3 OH2 -3.1363494112 -7.3197779730 -12.9087024389 SOLV 35 0.0000000000 137 38 TIP3 H1 -2.5567994112 -7.1697479730 -12.1618124389 SOLV 35 0.0000000000 138 38 TIP3 H2 -2.7223494112 -6.8490379730 -13.6320624389 SOLV 35 0.0000000000 139 39 TIP3 OH2 -12.1953194112 -6.4855079730 -1.1320624389 SOLV 36 0.0000000000 140 39 TIP3 H1 -12.1249994112 -5.8348279730 -0.4335624389 SOLV 36 0.0000000000 141 39 TIP3 H2 -13.0860994112 -6.3827579730 -1.4669724389 SOLV 36 0.0000000000 142 40 TIP3 OH2 -5.4098594112 -0.5829279730 -9.4733924389 SOLV 37 0.0000000000 143 40 TIP3 H1 -4.9360994112 -0.2872979730 -8.6959724389 SOLV 37 0.0000000000 144 40 TIP3 H2 -5.9729294112 0.1552320270 -9.7064324389 SOLV 37 0.0000000000 145 41 TIP3 OH2 -10.8757194112 -0.6121179730 0.4027475611 SOLV 38 0.0000000000 146 41 TIP3 H1 -10.8681894112 -0.7481479730 -0.5447024389 SOLV 38 0.0000000000 147 41 TIP3 H2 -11.7916794112 -0.7293079730 0.6547475611 SOLV 38 0.0000000000 148 42 TIP3 OH2 0.5624905888 -15.5697379730 -13.0957324389 SOLV 39 0.0000000000 149 42 TIP3 H1 -0.3374394112 -15.4308379730 -12.8006724389 SOLV 39 0.0000000000 150 42 TIP3 H2 0.8143305888 -14.7382779730 -13.4975624389 SOLV 39 0.0000000000 151 43 TIP3 OH2 -11.3716594112 -6.7820179730 -11.1220424389 SOLV 40 0.0000000000 152 43 TIP3 H1 -11.6635294112 -6.0138479730 -11.6129124389 SOLV 40 0.0000000000 153 43 TIP3 H2 -12.0461394112 -7.4413979730 -11.2849024389 SOLV 40 0.0000000000 154 44 TIP3 OH2 -15.2786494112 -4.4190979730 -2.3070624389 SOLV 41 0.0000000000 155 44 TIP3 H1 -15.7798094112 -4.4471579730 -3.1220924389 SOLV 41 0.0000000000 156 44 TIP3 H2 -15.2732794112 -5.3247779730 -1.9973324389 SOLV 41 0.0000000000 157 45 TIP3 OH2 -15.5283794112 -1.6387179730 -5.4230424389 SOLV 42 0.0000000000 158 45 TIP3 H1 -14.5823194112 -1.7830179730 -5.4420924389 SOLV 42 0.0000000000 159 45 TIP3 H2 -15.6407494112 -0.8544379730 -4.8859224389 SOLV 42 0.0000000000 160 46 TIP3 OH2 -5.9375494112 2.3735420270 -11.0584724389 SOLV 43 0.0000000000 161 46 TIP3 H1 -6.0129494112 2.2522620270 -12.0049524389 SOLV 43 0.0000000000 162 46 TIP3 H2 -5.9046794112 3.3228120270 -10.9400124389 SOLV 43 0.0000000000 163 47 TIP3 OH2 -12.2841694112 1.1622420270 -9.2775724389 SOLV 44 0.0000000000 164 47 TIP3 H1 -12.1321294112 0.8142820270 -8.3989224389 SOLV 44 0.0000000000 165 47 TIP3 H2 -13.1351294112 0.8059720270 -9.5328524389 SOLV 44 0.0000000000 166 48 TIP3 OH2 -2.8359494112 1.5275620270 -14.0562324389 SOLV 45 0.0000000000 167 48 TIP3 H1 -2.4611094112 0.7831720270 -14.5269724389 SOLV 45 0.0000000000 168 48 TIP3 H2 -2.8315794112 1.2576220270 -13.1379024389 SOLV 45 0.0000000000 169 49 TIP3 OH2 -3.1671394112 1.4532720270 -11.3070124389 SOLV 46 0.0000000000 170 49 TIP3 H1 -4.1021594112 1.5534620270 -11.1283124389 SOLV 46 0.0000000000 171 49 TIP3 H2 -2.8869494112 0.7438720270 -10.7286924389 SOLV 46 0.0000000000 172 50 TIP3 OH2 -0.1785494112 -9.4794979730 0.7395475611 SOLV 47 0.0000000000 173 50 TIP3 H1 -0.5858694112 -8.9989379730 0.0188775611 SOLV 47 0.0000000000 174 50 TIP3 H2 -0.1379794112 -10.3848979730 0.4316275611 SOLV 47 0.0000000000 175 51 TIP3 OH2 -13.0295994112 -3.0955579730 -1.2637824389 SOLV 48 0.0000000000 176 51 TIP3 H1 -12.8134694112 -3.4569979730 -0.4042024389 SOLV 48 0.0000000000 177 51 TIP3 H2 -13.8851294112 -3.4701779730 -1.4734324389 SOLV 48 0.0000000000 178 52 TIP3 OH2 -10.4107994112 -14.6255079730 -5.2683624389 SOLV 49 0.0000000000 179 52 TIP3 H1 -11.2724294112 -14.7126879730 -5.6760724389 SOLV 49 0.0000000000 180 52 TIP3 H2 -10.4332294112 -13.7694979730 -4.8406024389 SOLV 49 0.0000000000 181 53 TIP3 OH2 -5.7480194112 -14.9034679730 -1.8936624389 SOLV 50 0.0000000000 182 53 TIP3 H1 -5.3277094112 -15.3187579730 -1.1406024389 SOLV 50 0.0000000000 183 53 TIP3 H2 -6.6810594112 -15.0821379730 -1.7764624389 SOLV 50 0.0000000000 184 54 TIP3 OH2 -2.4215294112 -11.1479479730 -1.0402124389 SOLV 51 0.0000000000 185 54 TIP3 H1 -2.9355794112 -11.2737279730 -0.2426124389 SOLV 51 0.0000000000 186 54 TIP3 H2 -2.5770594112 -10.2356379730 -1.2845924389 SOLV 51 0.0000000000 187 55 TIP3 OH2 -1.6590394112 -6.2869479730 -15.2789124389 SOLV 52 0.0000000000 188 55 TIP3 H1 -1.6169594112 -6.5095579730 -16.2089124389 SOLV 52 0.0000000000 189 55 TIP3 H2 -0.8098294112 -5.8882379730 -15.0889224389 SOLV 52 0.0000000000 190 56 TIP3 OH2 -6.0862894112 -12.4111279730 -14.6085824389 SOLV 53 0.0000000000 191 56 TIP3 H1 -6.3398094112 -12.3919679730 -13.6857724389 SOLV 53 0.0000000000 192 56 TIP3 H2 -6.3430794112 -13.2825879730 -14.9099624389 SOLV 53 0.0000000000 193 57 TIP3 OH2 -10.3197894112 -9.6600579730 -4.1733424389 SOLV 54 0.0000000000 194 57 TIP3 H1 -10.9615794112 -9.7003279730 -3.4643324389 SOLV 54 0.0000000000 195 57 TIP3 H2 -10.2825894112 -8.7335879730 -4.4110424389 SOLV 54 0.0000000000 196 58 TIP3 OH2 -4.7873294112 -9.0230179730 -10.4442624389 SOLV 55 0.0000000000 197 58 TIP3 H1 -5.1962994112 -8.2081579730 -10.7357824389 SOLV 55 0.0000000000 198 58 TIP3 H2 -4.0667094112 -9.1630079730 -11.0585524389 SOLV 55 0.0000000000 199 59 TIP3 OH2 -3.7825594112 -9.5769779730 -7.6302924389 SOLV 56 0.0000000000 200 59 TIP3 H1 -3.9781094112 -8.9712979730 -8.3452324389 SOLV 56 0.0000000000 201 59 TIP3 H2 -3.6012994112 -10.4104579730 -8.0646624389 SOLV 56 0.0000000000 202 60 TIP3 OH2 -12.5697394112 -9.3397079730 -2.3061424389 SOLV 57 0.0000000000 203 60 TIP3 H1 -12.6077994112 -8.9395479730 -1.4374324389 SOLV 57 0.0000000000 204 60 TIP3 H2 -13.0606294112 -10.1564679730 -2.2158524389 SOLV 57 0.0000000000 205 61 TIP3 OH2 -15.9616594112 -12.2235279730 -8.4556724389 SOLV 58 0.0000000000 206 61 TIP3 H1 -15.3308894112 -12.2523179730 -7.7362824389 SOLV 58 0.0000000000 207 61 TIP3 H2 -15.5122294112 -12.6486579730 -9.1860824389 SOLV 58 0.0000000000 208 62 TIP3 OH2 -14.6874494112 -11.4773279730 -13.0316324389 SOLV 59 0.0000000000 209 62 TIP3 H1 -14.2132794112 -10.8863379730 -13.6165424389 SOLV 59 0.0000000000 210 62 TIP3 H2 -15.4048094112 -10.9470379730 -12.6846224389 SOLV 59 0.0000000000 211 63 TIP3 OH2 -4.5186394112 -7.9388479730 -2.9590524389 SOLV 60 0.0000000000 212 63 TIP3 H1 -4.1951594112 -8.5698779730 -3.6020024389 SOLV 60 0.0000000000 213 63 TIP3 H2 -4.9587094112 -8.4736279730 -2.2983124389 SOLV 60 0.0000000000 214 64 TIP3 OH2 -7.7413494112 -12.0112979730 -8.1749324389 SOLV 61 0.0000000000 215 64 TIP3 H1 -8.6522394112 -11.9546179730 -7.8863324389 SOLV 61 0.0000000000 216 64 TIP3 H2 -7.2360594112 -12.0717479730 -7.3642124389 SOLV 61 0.0000000000 217 65 TIP3 OH2 -3.3361594112 -12.7766679730 -4.9107524389 SOLV 62 0.0000000000 218 65 TIP3 H1 -4.0129994112 -12.6453579730 -4.2467824389 SOLV 62 0.0000000000 219 65 TIP3 H2 -3.8216694112 -12.9317179730 -5.7209824389 SOLV 62 0.0000000000 220 66 TIP3 OH2 -0.0486494112 2.8948720270 1.3660075611 SOLV 63 0.0000000000 221 66 TIP3 H1 0.1512205888 3.3190620270 0.5315375611 SOLV 63 0.0000000000 222 66 TIP3 H2 0.6067205888 3.2386920270 1.9730475611 SOLV 63 0.0000000000 223 67 TIP3 OH2 -12.4506694112 -4.6309979730 0.9740575611 SOLV 64 0.0000000000 224 67 TIP3 H1 -11.7184294112 -4.3764079730 1.5355075611 SOLV 64 0.0000000000 225 67 TIP3 H2 -13.2307994112 -4.4264579730 1.4895975611 SOLV 64 0.0000000000 226 68 TIP3 OH2 -6.4213794112 -9.2239979730 -6.2879724389 SOLV 65 0.0000000000 227 68 TIP3 H1 -5.8570394112 -9.7703379730 -6.8350124389 SOLV 65 0.0000000000 228 68 TIP3 H2 -6.5690394112 -9.7458079730 -5.4992124389 SOLV 65 0.0000000000 229 69 TIP3 OH2 -11.4194094112 -13.0873879730 -9.8694924389 SOLV 66 0.0000000000 230 69 TIP3 H1 -11.7364594112 -13.9898579730 -9.9049524389 SOLV 66 0.0000000000 231 69 TIP3 H2 -10.6379994112 -13.0856479730 -10.4223324389 SOLV 66 0.0000000000 232 70 TIP3 OH2 -7.7947894112 -10.8353879730 -3.8739324389 SOLV 67 0.0000000000 233 70 TIP3 H1 -8.6302594112 -10.3814379730 -3.7636924389 SOLV 67 0.0000000000 234 70 TIP3 H2 -7.2707294112 -10.5595379730 -3.1219424389 SOLV 67 0.0000000000 235 71 TIP3 OH2 -7.2505294112 -4.6226179730 -12.1892924389 SOLV 68 0.0000000000 236 71 TIP3 H1 -7.9954294112 -5.1300879730 -12.5115024389 SOLV 68 0.0000000000 237 71 TIP3 H2 -7.3848094112 -4.5738179730 -11.2428124389 SOLV 68 0.0000000000 238 72 TIP3 OH2 -0.1006394112 -5.4897979730 -3.4025324389 SOLV 69 0.0000000000 239 72 TIP3 H1 0.5412405888 -5.0331679730 -3.9463124389 SOLV 69 0.0000000000 240 72 TIP3 H2 -0.9309494112 -5.3765579730 -3.8651224389 SOLV 69 0.0000000000 241 73 TIP3 OH2 -3.3528494112 -11.8086279730 -13.9900324389 SOLV 70 0.0000000000 242 73 TIP3 H1 -4.2914294112 -11.6970679730 -14.1411524389 SOLV 70 0.0000000000 243 73 TIP3 H2 -3.0556394112 -10.9519379730 -13.6834624389 SOLV 70 0.0000000000 244 74 TIP3 OH2 -5.7313194112 -4.4382879730 -0.9523824389 SOLV 71 0.0000000000 245 74 TIP3 H1 -6.0767094112 -4.8200479730 -0.1454224389 SOLV 71 0.0000000000 246 74 TIP3 H2 -5.9313094112 -3.5049279730 -0.8810924389 SOLV 71 0.0000000000 247 75 TIP3 OH2 -2.6344994112 -9.9413579730 -12.3292924389 SOLV 72 0.0000000000 248 75 TIP3 H1 -1.7425994112 -10.0788579730 -12.0101724389 SOLV 72 0.0000000000 249 75 TIP3 H2 -2.5781394112 -9.1507479730 -12.8659424389 SOLV 72 0.0000000000 250 76 TIP3 OH2 -12.1256994112 -5.3276179730 -6.4195024389 SOLV 73 0.0000000000 251 76 TIP3 H1 -11.3809794112 -5.3300479730 -7.0208524389 SOLV 73 0.0000000000 252 76 TIP3 H2 -12.0480394112 -6.1512379730 -5.9379924389 SOLV 73 0.0000000000 253 77 TIP3 OH2 -5.1251194112 -3.1641879730 -13.1638324389 SOLV 74 0.0000000000 254 77 TIP3 H1 -5.4202794112 -2.3373979730 -12.7823524389 SOLV 74 0.0000000000 255 77 TIP3 H2 -5.8281194112 -3.7834979730 -12.9676924389 SOLV 74 0.0000000000 256 78 TIP3 OH2 -8.1012394112 -7.3499379730 1.1083175611 SOLV 75 0.0000000000 257 78 TIP3 H1 -8.3971594112 -7.5156379730 0.2132275611 SOLV 75 0.0000000000 258 78 TIP3 H2 -7.1697194112 -7.5699079730 1.0977075611 SOLV 75 0.0000000000 259 79 TIP3 OH2 2.2503705888 -9.7319479730 -12.6346224389 SOLV 76 0.0000000000 260 79 TIP3 H1 1.6960005888 -10.1281479730 -13.3068724389 SOLV 76 0.0000000000 261 79 TIP3 H2 2.3507305888 -8.8214279730 -12.9122924389 SOLV 76 0.0000000000 262 80 TIP3 OH2 0.5455405888 -0.9459079730 -12.1694124389 SOLV 77 0.0000000000 263 80 TIP3 H1 0.1726505888 -1.7715279730 -11.8603524389 SOLV 77 0.0000000000 264 80 TIP3 H2 0.8228905888 -1.1289679730 -13.0670724389 SOLV 77 0.0000000000 265 81 TIP3 OH2 -2.2940694112 -6.1379579730 -5.1482224389 SOLV 78 0.0000000000 266 81 TIP3 H1 -3.2223794112 -6.3697679730 -5.1752924389 SOLV 78 0.0000000000 267 81 TIP3 H2 -1.8429594112 -6.9149779730 -5.4783424389 SOLV 78 0.0000000000 268 82 TIP3 OH2 -9.7507594112 -1.8097979730 -9.0153524389 SOLV 79 0.0000000000 269 82 TIP3 H1 -9.2235394112 -1.0363579730 -9.2154724389 SOLV 79 0.0000000000 270 82 TIP3 H2 -10.6309094112 -1.5848779730 -9.3169524389 SOLV 79 0.0000000000 271 83 TIP3 OH2 -13.9959894112 -6.9473879730 -14.4281124389 SOLV 80 0.0000000000 272 83 TIP3 H1 -13.3799994112 -6.3206679730 -14.0486324389 SOLV 80 0.0000000000 273 83 TIP3 H2 -14.8577294112 -6.6314079730 -14.1564624389 SOLV 80 0.0000000000 274 84 TIP3 OH2 -8.3235294112 -4.1468079730 -9.4389224389 SOLV 81 0.0000000000 275 84 TIP3 H1 -8.5645294112 -3.2213679730 -9.3973924389 SOLV 81 0.0000000000 276 84 TIP3 H2 -9.0641694112 -4.6056779730 -9.0425324389 SOLV 81 0.0000000000 277 85 TIP3 OH2 -7.8088694112 0.0025520270 -3.1238124389 SOLV 82 0.0000000000 278 85 TIP3 H1 -7.4463994112 0.8571120270 -3.3573724389 SOLV 82 0.0000000000 279 85 TIP3 H2 -7.2773494112 -0.2892879730 -2.3831824389 SOLV 82 0.0000000000 280 86 TIP3 OH2 -9.6404494112 0.8749520270 -9.8937024389 SOLV 83 0.0000000000 281 86 TIP3 H1 -10.5903994112 0.9806920270 -9.8423724389 SOLV 83 0.0000000000 282 86 TIP3 H2 -9.2886394112 1.6956920270 -9.5489524389 SOLV 83 0.0000000000 283 87 TIP3 OH2 -4.2647894112 -3.8983779730 -3.4232524389 SOLV 84 0.0000000000 284 87 TIP3 H1 -4.6906594112 -4.1262079730 -2.5968524389 SOLV 84 0.0000000000 285 87 TIP3 H2 -3.6842094112 -4.6371979730 -3.6057224389 SOLV 84 0.0000000000 286 88 TIP3 OH2 -2.0618994112 -2.9693279730 -14.3493524389 SOLV 85 0.0000000000 287 88 TIP3 H1 -1.7085894112 -3.3493479730 -13.5450024389 SOLV 85 0.0000000000 288 88 TIP3 H2 -3.0105494112 -3.0628479730 -14.2624224389 SOLV 85 0.0000000000 289 89 TIP3 OH2 2.4415405888 1.5099220270 -14.1483324389 SOLV 86 0.0000000000 290 89 TIP3 H1 3.1853305888 2.0959720270 -14.2881724389 SOLV 86 0.0000000000 291 89 TIP3 H2 1.7473505888 2.0785020270 -13.8150924389 SOLV 86 0.0000000000 292 90 TIP3 OH2 -13.4837794112 -12.1136579730 -1.5465124389 SOLV 87 0.0000000000 293 90 TIP3 H1 -14.3765494112 -11.7751179730 -1.6141124389 SOLV 87 0.0000000000 294 90 TIP3 H2 -13.5824994112 -12.9690479730 -1.1284324389 SOLV 87 0.0000000000 295 91 TIP3 OH2 -1.1959694112 -4.2971279730 -12.1225624389 SOLV 88 0.0000000000 296 91 TIP3 H1 -1.4732094112 -5.0251979730 -11.5664524389 SOLV 88 0.0000000000 297 91 TIP3 H2 -0.2686694112 -4.1779279730 -11.9173024389 SOLV 88 0.0000000000 298 92 TIP3 OH2 -13.8325794112 -0.3092179730 -3.1115724389 SOLV 89 0.0000000000 299 92 TIP3 H1 -13.6155494112 -1.2409779730 -3.1426024389 SOLV 89 0.0000000000 300 92 TIP3 H2 -13.5862294112 -0.0347179730 -2.2282924389 SOLV 89 0.0000000000 301 93 TIP3 OH2 -7.9711194112 -1.8577179730 -15.9023524389 SOLV 90 0.0000000000 302 93 TIP3 H1 -7.7321394112 -2.6059079730 -16.4494624389 SOLV 90 0.0000000000 303 93 TIP3 H2 -8.2399894112 -2.2455479730 -15.0695724389 SOLV 90 0.0000000000 304 94 TIP3 OH2 -9.0340594112 -2.2873379730 -13.4460924389 SOLV 91 0.0000000000 305 94 TIP3 H1 -8.8872594112 -2.8073579730 -12.6560024389 SOLV 91 0.0000000000 306 94 TIP3 H2 -9.0368894112 -1.3805779730 -13.1395024389 SOLV 91 0.0000000000 307 95 TIP3 OH2 -12.5809494112 -5.0350079730 -12.9355524389 SOLV 92 0.0000000000 308 95 TIP3 H1 -13.2670194112 -4.6827579730 -12.3685824389 SOLV 92 0.0000000000 309 95 TIP3 H2 -12.0581594112 -4.2720479730 -13.1821224389 SOLV 92 0.0000000000 310 96 TIP3 OH2 -4.7494394112 -12.3726279730 -2.6566524389 SOLV 93 0.0000000000 311 96 TIP3 H1 -4.0506494112 -12.2987579730 -2.0066824389 SOLV 93 0.0000000000 312 96 TIP3 H2 -5.1302994112 -13.2371279730 -2.5023624389 SOLV 93 0.0000000000 313 97 TIP3 OH2 -3.9649494112 -12.7204579730 -11.5594224389 SOLV 94 0.0000000000 314 97 TIP3 H1 -3.7451194112 -12.2489179730 -12.3628824389 SOLV 94 0.0000000000 315 97 TIP3 H2 -3.4065494112 -12.3261979730 -10.8893624389 SOLV 94 0.0000000000 316 98 TIP3 OH2 -6.2963394112 -0.5899779730 -12.6966724389 SOLV 95 0.0000000000 317 98 TIP3 H1 -7.1127294112 -0.0930079730 -12.6442424389 SOLV 95 0.0000000000 318 98 TIP3 H2 -5.7667094112 -0.1146279730 -13.3367924389 SOLV 95 0.0000000000 319 99 TIP3 OH2 -5.8812894112 -13.9112779730 -9.7864724389 SOLV 96 0.0000000000 320 99 TIP3 H1 -6.2279394112 -13.2942179730 -9.1420424389 SOLV 96 0.0000000000 321 99 TIP3 H2 -5.2225994112 -13.4107079730 -10.2679224389 SOLV 96 0.0000000000 322 100 TIP3 OH2 -8.9580294112 0.4537420270 -12.7149824389 SOLV 97 0.0000000000 323 100 TIP3 H1 -8.7971594112 1.2534920270 -13.2157224389 SOLV 97 0.0000000000 324 100 TIP3 H2 -9.1552494112 0.7603420270 -11.8299224389 SOLV 97 0.0000000000 325 101 TIP3 OH2 -10.2235894112 -12.8483379730 -13.0992224389 SOLV 98 0.0000000000 326 101 TIP3 H1 -10.3071094112 -11.9600279730 -12.7525824389 SOLV 98 0.0000000000 327 101 TIP3 H2 -9.3335594112 -13.1136679730 -12.8675424389 SOLV 98 0.0000000000 328 102 TIP3 OH2 -1.4226394112 -8.3491779730 -6.6092224389 SOLV 99 0.0000000000 329 102 TIP3 H1 -2.2201994112 -8.7641579730 -6.9377224389 SOLV 99 0.0000000000 330 102 TIP3 H2 -0.9775294112 -9.0398079730 -6.1181724389 SOLV 99 0.0000000000 331 103 TIP3 OH2 -11.9650594112 -2.4211179730 -14.0387724389 SOLV 100 0.0000000000 332 103 TIP3 H1 -11.3729094112 -1.7216379730 -13.7625324389 SOLV 100 0.0000000000 333 103 TIP3 H2 -11.5057594112 -2.8541679730 -14.7583124389 SOLV 100 0.0000000000 334 104 TIP3 OH2 -13.6491394112 -9.7568179730 -14.9228324389 SOLV 101 0.0000000000 335 104 TIP3 H1 -13.6938794112 -8.8175079730 -14.7441324389 SOLV 101 0.0000000000 336 104 TIP3 H2 -14.5368194112 -9.9923279730 -15.1926224389 SOLV 101 0.0000000000 337 105 TIP3 OH2 -0.3361794112 0.9070720270 -4.9868724389 SOLV 102 0.0000000000 338 105 TIP3 H1 -0.4917494112 1.5855120270 -5.6439424389 SOLV 102 0.0000000000 339 105 TIP3 H2 0.5964605888 0.9790020270 -4.7838124389 SOLV 102 0.0000000000 340 106 TIP3 OH2 -12.8409394112 -14.9751579730 -6.2497324389 SOLV 103 0.0000000000 341 106 TIP3 H1 -13.0699594112 -14.9159079730 -7.1772324389 SOLV 103 0.0000000000 342 106 TIP3 H2 -13.2835994112 -15.7666079730 -5.9433224389 SOLV 103 0.0000000000 343 107 TIP3 OH2 -14.6222394112 1.5779220270 1.2406475611 SOLV 104 0.0000000000 344 107 TIP3 H1 -14.0820194112 1.3613220270 2.0005675611 SOLV 104 0.0000000000 345 107 TIP3 H2 -15.1034394112 0.7725220270 1.0508975611 SOLV 104 0.0000000000 346 108 TIP3 OH2 -10.0248994112 0.4973620270 2.8610675611 SOLV 105 0.0000000000 347 108 TIP3 H1 -9.2571794112 0.0384420270 3.2019875611 SOLV 105 0.0000000000 348 108 TIP3 H2 -10.0462794112 0.2713420270 1.9311875611 SOLV 105 0.0000000000 349 109 TIP3 OH2 -5.9329394112 0.0054220270 -15.7637524389 SOLV 106 0.0000000000 350 109 TIP3 H1 -6.5768394112 -0.6257179730 -15.4423824389 SOLV 106 0.0000000000 351 109 TIP3 H2 -5.1711094112 -0.5257779730 -15.9954024389 SOLV 106 0.0000000000 352 110 TIP3 OH2 -14.7152894112 -4.6116679730 2.1950775611 SOLV 107 0.0000000000 353 110 TIP3 H1 -14.5712394112 -5.5135979730 1.9087475611 SOLV 107 0.0000000000 354 110 TIP3 H2 -15.4875494112 -4.3254579730 1.7073075611 SOLV 107 0.0000000000 355 111 TIP3 OH2 -10.3739194112 -4.2680979730 -15.6724624389 SOLV 108 0.0000000000 356 111 TIP3 H1 -10.3095094112 -5.0621379730 -15.1418224389 SOLV 108 0.0000000000 357 111 TIP3 H2 -9.7209994112 -4.3868179730 -16.3622624389 SOLV 108 0.0000000000 358 112 TIP3 OH2 -5.0215794112 -3.2209279730 -15.9366624389 SOLV 109 0.0000000000 359 112 TIP3 H1 -5.2901694112 -3.0407179730 -15.0357724389 SOLV 109 0.0000000000 360 112 TIP3 H2 -5.2280194112 -4.1463079730 -16.0680824389 SOLV 109 0.0000000000 361 113 TIP3 OH2 -2.3251594112 -4.7261279730 -0.9890524389 SOLV 110 0.0000000000 362 113 TIP3 H1 -1.5796794112 -4.1377579730 -1.1086524389 SOLV 110 0.0000000000 363 113 TIP3 H2 -3.0824794112 -4.1441579730 -0.9257424389 SOLV 110 0.0000000000 364 114 TIP3 OH2 -13.8826394112 -7.4113379730 1.6150075611 SOLV 111 0.0000000000 365 114 TIP3 H1 -13.4745194112 -8.2686779730 1.4940675611 SOLV 111 0.0000000000 366 114 TIP3 H2 -14.1428794112 -7.3972079730 2.5360375611 SOLV 111 0.0000000000 367 115 TIP3 OH2 -9.2245394112 -6.2954779730 -13.3666624389 SOLV 112 0.0000000000 368 115 TIP3 H1 -9.6843394112 -6.7796479730 -12.6808124389 SOLV 112 0.0000000000 369 115 TIP3 H2 -8.9696694112 -6.9639379730 -14.0026124389 SOLV 112 0.0000000000 370 116 TIP3 OH2 -9.9356094112 -8.4027679730 -1.0107024389 SOLV 113 0.0000000000 371 116 TIP3 H1 -10.5539994112 -7.7281079730 -0.7302324389 SOLV 113 0.0000000000 372 116 TIP3 H2 -9.5914894112 -8.0813779730 -1.8440824389 SOLV 113 0.0000000000 373 117 TIP3 OH2 -8.1534994112 -8.0522979730 -15.1043424389 SOLV 114 0.0000000000 374 117 TIP3 H1 -8.3339994112 -8.2071779730 -16.0315124389 SOLV 114 0.0000000000 375 117 TIP3 H2 -7.2034494112 -7.9444279730 -15.0595524389 SOLV 114 0.0000000000 376 118 TIP3 OH2 -9.5962394112 -11.0476879730 0.0716075611 SOLV 115 0.0000000000 377 118 TIP3 H1 -9.4461494112 -11.7765579730 -0.5304224389 SOLV 115 0.0000000000 378 118 TIP3 H2 -9.5939994112 -10.2705179730 -0.4871724389 SOLV 115 0.0000000000 379 119 TIP3 OH2 -9.1836694112 -12.6781079730 -2.4356524389 SOLV 116 0.0000000000 380 119 TIP3 H1 -8.6479194112 -12.2264379730 -3.0877224389 SOLV 116 0.0000000000 381 119 TIP3 H2 -10.0357094112 -12.7861279730 -2.8582424389 SOLV 116 0.0000000000 382 120 TIP3 OH2 -7.6018294112 -7.2384879730 -2.1961324389 SOLV 117 0.0000000000 383 120 TIP3 H1 -6.8513494112 -7.3947379730 -2.7693524389 SOLV 117 0.0000000000 384 120 TIP3 H2 -7.9409994112 -6.3868279730 -2.4715824389 SOLV 117 0.0000000000 385 121 TIP3 OH2 -1.8694894112 -6.6347879730 0.9096675611 SOLV 118 0.0000000000 386 121 TIP3 H1 -2.1509894112 -5.9253279730 0.3320475611 SOLV 118 0.0000000000 387 121 TIP3 H2 -0.9270594112 -6.7074879730 0.7587875611 SOLV 118 0.0000000000 388 122 TIP3 OH2 -11.1176094112 -9.8493379730 1.9831675611 SOLV 119 0.0000000000 389 122 TIP3 H1 -11.8847094112 -10.3818579730 1.7729275611 SOLV 119 0.0000000000 390 122 TIP3 H2 -10.4387094112 -10.1592979730 1.3837975611 SOLV 119 0.0000000000 391 123 TIP3 OH2 -8.3781194112 -15.2215379730 -2.0042924389 SOLV 120 0.0000000000 392 123 TIP3 H1 -8.4761594112 -14.2752179730 -2.1096724389 SOLV 120 0.0000000000 393 123 TIP3 H2 -9.1204994112 -15.5941579730 -2.4799424389 SOLV 120 0.0000000000 394 124 TIP3 OH2 -2.7642594112 -13.1385379730 2.6400875611 SOLV 121 0.0000000000 395 124 TIP3 H1 -2.8610794112 -14.0908079730 2.6342775611 SOLV 121 0.0000000000 396 124 TIP3 H2 -3.0859494112 -12.8698579730 3.5006375611 SOLV 121 0.0000000000 397 125 TIP3 OH2 -12.9373294112 -11.9289579730 1.6876375611 SOLV 122 0.0000000000 398 125 TIP3 H1 -12.7255894112 -12.6353479730 1.0773875611 SOLV 122 0.0000000000 399 125 TIP3 H2 -13.0485794112 -12.3663579730 2.5317575611 SOLV 122 0.0000000000 400 126 TIP3 OH2 -8.2563294112 2.6380720270 -14.1029824389 SOLV 123 0.0000000000 401 126 TIP3 H1 -7.3232594112 2.7959420270 -13.9591424389 SOLV 123 0.0000000000 402 126 TIP3 H2 -8.5204494112 3.3133720270 -14.7278324389 SOLV 123 0.0000000000 403 127 TIP3 OH2 -14.6878394112 -2.7255479730 -14.6201724389 SOLV 124 0.0000000000 404 127 TIP3 H1 -13.7739194112 -2.6466579730 -14.3467824389 SOLV 124 0.0000000000 405 127 TIP3 H2 -14.6805294112 -3.4125879730 -15.2866124389 SOLV 124 0.0000000000 406 128 TIP3 OH2 -15.1688594112 0.7480020270 -7.7381624389 SOLV 125 0.0000000000 407 128 TIP3 H1 -15.5031794112 -0.1322679730 -7.5661424389 SOLV 125 0.0000000000 408 128 TIP3 H2 -14.9466194112 1.0935020270 -6.8736024389 SOLV 125 0.0000000000 409 129 TIP3 OH2 2.3796205888 1.5576420270 -4.7576824389 SOLV 126 0.0000000000 410 129 TIP3 H1 2.3582905888 1.7424820270 -3.8187424389 SOLV 126 0.0000000000 411 129 TIP3 H2 3.0702405888 2.1260420270 -5.0985424389 SOLV 126 0.0000000000 412 130 TIP3 OH2 0.3936405888 -3.0854379730 2.8022575611 SOLV 127 0.0000000000 413 130 TIP3 H1 -0.4722494112 -3.1904679730 3.1964875611 SOLV 127 0.0000000000 414 130 TIP3 H2 0.7702305888 -2.3271079730 3.2487275611 SOLV 127 0.0000000000 415 131 TIP3 OH2 1.6946105888 -4.8290679730 -11.6834924389 SOLV 128 0.0000000000 416 131 TIP3 H1 2.5447505888 -4.4079779730 -11.5563324389 SOLV 128 0.0000000000 417 131 TIP3 H2 1.7001205888 -5.5690579730 -11.0763524389 SOLV 128 0.0000000000 418 132 TIP3 OH2 2.0891705888 -6.7753279730 -9.8599224389 SOLV 129 0.0000000000 419 132 TIP3 H1 1.3626305888 -7.2550679730 -9.4621624389 SOLV 129 0.0000000000 420 132 TIP3 H2 2.6705005888 -6.5698579730 -9.1277624389 SOLV 129 0.0000000000 421 133 TIP3 OH2 1.8482905888 -3.9905779730 -4.9121624389 SOLV 130 0.0000000000 422 133 TIP3 H1 2.6817105888 -4.3685779730 -5.1928024389 SOLV 130 0.0000000000 423 133 TIP3 H2 1.9603205888 -3.0474579730 -5.0312524389 SOLV 130 0.0000000000 424 134 TIP3 OH2 2.3574805888 -6.8744779730 -13.4687924389 SOLV 131 0.0000000000 425 134 TIP3 H1 1.8355905888 -6.5180679730 -14.1877024389 SOLV 131 0.0000000000 426 134 TIP3 H2 2.3244005888 -6.1996979730 -12.7907024389 SOLV 131 0.0000000000 427 135 TIP3 OH2 0.7063805888 -9.6349179730 -14.9180824389 SOLV 132 0.0000000000 428 135 TIP3 H1 0.8028205888 -8.9682179730 -15.5981124389 SOLV 132 0.0000000000 429 135 TIP3 H2 0.5663405888 -10.4502879730 -15.3995324389 SOLV 132 0.0000000000 430 136 TIP3 OH2 0.7321405888 -6.2843479730 0.3417775611 SOLV 133 0.0000000000 431 136 TIP3 H1 1.3148705888 -7.0191179730 0.5334975611 SOLV 133 0.0000000000 432 136 TIP3 H2 1.2960705888 -5.5123179730 0.3883575611 SOLV 133 0.0000000000 433 137 TIP3 OH2 2.2288505888 -8.3817679730 1.0263175611 SOLV 134 0.0000000000 434 137 TIP3 H1 1.3655205888 -8.7605579730 0.8607875611 SOLV 134 0.0000000000 435 137 TIP3 H2 2.8332205888 -9.1202879730 0.9518975611 SOLV 134 0.0000000000 436 138 TIP3 OH2 -0.0462394112 -12.2269379730 -15.8005324389 SOLV 135 0.0000000000 437 138 TIP3 H1 0.5643405888 -12.5982579730 -15.1637124389 SOLV 135 0.0000000000 438 138 TIP3 H2 -0.8830894112 -12.6482479730 -15.6045324389 SOLV 135 0.0000000000 439 139 TIP3 OH2 -0.4136694112 -10.6720979730 -10.8345424389 SOLV 136 0.0000000000 440 139 TIP3 H1 -0.1339594112 -11.5790579730 -10.7103724389 SOLV 136 0.0000000000 441 139 TIP3 H2 0.3455005888 -10.2379479730 -11.2236224389 SOLV 136 0.0000000000 442 140 TIP3 OH2 0.1981605888 -10.0903579730 -5.3986524389 SOLV 137 0.0000000000 443 140 TIP3 H1 1.1309605888 -9.8783679730 -5.4330524389 SOLV 137 0.0000000000 444 140 TIP3 H2 -0.0370894112 -9.9891479730 -4.4763524389 SOLV 137 0.0000000000 445 141 TIP3 OH2 0.2273505888 -9.3538279730 -2.6227124389 SOLV 138 0.0000000000 446 141 TIP3 H1 -0.6155194112 -9.0857879730 -2.2567324389 SOLV 138 0.0000000000 447 141 TIP3 H2 0.6697805888 -8.5316379730 -2.8336024389 SOLV 138 0.0000000000 448 142 TIP3 OH2 -15.4914294112 -10.9059579730 0.8542075611 SOLV 139 0.0000000000 449 142 TIP3 H1 -14.5719394112 -11.0281279730 1.0905175611 SOLV 139 0.0000000000 450 142 TIP3 H2 -15.9409794112 -11.6559879730 1.2435575611 SOLV 139 0.0000000000 451 143 TIP3 OH2 2.5105105888 -15.3738079730 2.7307875611 SOLV 140 0.0000000000 452 143 TIP3 H1 2.8602105888 -16.0274579730 2.1252575611 SOLV 140 0.0000000000 453 143 TIP3 H2 2.6574605888 -14.5363979730 2.2910475611 SOLV 140 0.0000000000 454 144 TIP3 OH2 0.1998105888 -13.4091679730 -10.7863424389 SOLV 141 0.0000000000 455 144 TIP3 H1 0.3823105888 -13.8580179730 -9.9608424389 SOLV 141 0.0000000000 456 144 TIP3 H2 -0.3998994112 -13.9937279730 -11.2498824389 SOLV 141 0.0000000000 457 145 TIP3 OH2 -14.2701794112 -12.5937979730 -6.2545024389 SOLV 142 0.0000000000 458 145 TIP3 H1 -13.8250194112 -13.3855479730 -5.9525324389 SOLV 142 0.0000000000 459 145 TIP3 H2 -13.8038794112 -11.8772779730 -5.8239424389 SOLV 142 0.0000000000 460 146 TIP3 OH2 -15.9661494112 -9.5944979730 -5.1854824389 SOLV 143 0.0000000000 461 146 TIP3 H1 -15.4741694112 -9.8154479730 -5.9762824389 SOLV 143 0.0000000000 462 146 TIP3 H2 -15.6040594112 -8.7541579730 -4.9045324389 SOLV 143 0.0000000000 463 147 TIP3 OH2 2.0664305888 -13.3413579730 -14.2583124389 SOLV 144 0.0000000000 464 147 TIP3 H1 2.4786905888 -14.0627879730 -14.7335124389 SOLV 144 0.0000000000 465 147 TIP3 H2 2.7480805888 -12.6718979730 -14.1998824389 SOLV 144 0.0000000000 466 148 TIP3 OH2 -15.6524994112 -13.3365879730 -11.1312424389 SOLV 145 0.0000000000 467 148 TIP3 H1 -16.5776594112 -13.1279279730 -11.2606924389 SOLV 145 0.0000000000 468 148 TIP3 H2 -15.1985094112 -12.8525079730 -11.8210124389 SOLV 145 0.0000000000 469 149 TIP3 OH2 -0.8817794112 1.6475820270 -9.1855024389 SOLV 146 0.0000000000 470 149 TIP3 H1 -0.2294894112 1.2997920270 -9.7935924389 SOLV 146 0.0000000000 471 149 TIP3 H2 -0.3713994112 2.1359020270 -8.5395324389 SOLV 146 0.0000000000 472 150 TIP3 OH2 -13.4970294112 -1.4232779730 1.3575875611 SOLV 147 0.0000000000 473 150 TIP3 H1 -14.3177794112 -1.2486279730 0.8970575611 SOLV 147 0.0000000000 474 150 TIP3 H2 -13.7492494112 -1.4968079730 2.2780275611 SOLV 147 0.0000000000 475 151 TIP3 OH2 -10.5427394112 -0.4491579730 -2.3840124389 SOLV 148 0.0000000000 476 151 TIP3 H1 -10.9676294112 0.3606920270 -2.6665524389 SOLV 148 0.0000000000 477 151 TIP3 H2 -9.6384594112 -0.3637479730 -2.6860324389 SOLV 148 0.0000000000 478 152 TIP3 OH2 -13.1410694112 2.8072320270 -2.3364824389 SOLV 149 0.0000000000 479 152 TIP3 H1 -13.8614294112 3.2473320270 -2.7877124389 SOLV 149 0.0000000000 480 152 TIP3 H2 -13.5066694112 2.5567020270 -1.4880824389 SOLV 149 0.0000000000 481 153 TIP3 OH2 -10.6738094112 2.4076220270 -3.3067624389 SOLV 150 0.0000000000 482 153 TIP3 H1 -11.5385894112 2.4794720270 -2.9027524389 SOLV 150 0.0000000000 483 153 TIP3 H2 -10.7289094112 2.9543520270 -4.0905124389 SOLV 150 0.0000000000 484 154 TIP3 OH2 -5.9632494112 2.2955120270 -4.1311624389 SOLV 151 0.0000000000 485 154 TIP3 H1 -6.4198494112 2.8244820270 -4.7853224389 SOLV 151 0.0000000000 486 154 TIP3 H2 -5.8004494112 2.8986520270 -3.4059324389 SOLV 151 0.0000000000 487 155 TIP3 OH2 -3.6356194112 1.1734720270 -3.1861324389 SOLV 152 0.0000000000 488 155 TIP3 H1 -4.5402494112 1.3384920270 -3.4519224389 SOLV 152 0.0000000000 489 155 TIP3 H2 -3.2067594112 2.0266920270 -3.2517924389 SOLV 152 0.0000000000 490 156 TIP3 OH2 -1.0314294112 2.7433820270 -2.8913524389 SOLV 153 0.0000000000 491 156 TIP3 H1 -1.2132294112 3.6592720270 -3.1018624389 SOLV 153 0.0000000000 492 156 TIP3 H2 -0.8546494112 2.3330920270 -3.7378924389 SOLV 153 0.0000000000 493 157 TIP3 OH2 -13.7262594112 1.4304820270 -5.4263024389 SOLV 154 0.0000000000 494 157 TIP3 H1 -13.7446594112 1.0049920270 -4.5690724389 SOLV 154 0.0000000000 495 157 TIP3 H2 -12.9214694112 1.1119820270 -5.8350824389 SOLV 154 0.0000000000 496 158 TIP3 OH2 -11.5849494112 0.1403520270 -6.7713124389 SOLV 155 0.0000000000 497 158 TIP3 H1 -11.8038794112 -0.7759079730 -6.6017124389 SOLV 155 0.0000000000 498 158 TIP3 H2 -10.7607294112 0.2803920270 -6.3051724389 SOLV 155 0.0000000000 499 159 TIP3 OH2 -9.0476994112 0.6102820270 -5.9225124389 SOLV 156 0.0000000000 500 159 TIP3 H1 -8.8351294112 -0.2778179730 -6.2094224389 SOLV 156 0.0000000000 501 159 TIP3 H2 -8.9831894112 0.5760520270 -4.9681124389 SOLV 156 0.0000000000 502 160 TIP3 OH2 -5.5393294112 -13.7256579730 -6.7781824389 SOLV 157 0.0000000000 503 160 TIP3 H1 -6.2136494112 -14.3550979730 -6.5226024389 SOLV 157 0.0000000000 504 160 TIP3 H2 -4.9754094112 -14.2097679730 -7.3813924389 SOLV 157 0.0000000000 505 161 TIP3 OH2 -0.3966094112 -15.6182579730 -6.6654724389 SOLV 158 0.0000000000 506 161 TIP3 H1 0.2071505888 -15.0707179730 -7.1673724389 SOLV 158 0.0000000000 507 161 TIP3 H2 -1.2664094112 -15.2992179730 -6.9060624389 SOLV 158 0.0000000000 508 162 TIP3 OH2 1.3304305888 -14.4793879730 -8.3323824389 SOLV 159 0.0000000000 509 162 TIP3 H1 1.9421805888 -14.9938179730 -8.8590224389 SOLV 159 0.0000000000 510 162 TIP3 H2 1.7127705888 -13.6021779730 -8.3089424389 SOLV 159 0.0000000000 511 163 TIP3 OH2 -13.2125794112 -15.0916279730 -8.9561924389 SOLV 160 0.0000000000 512 163 TIP3 H1 -13.9895994112 -15.3261379730 -9.4636024389 SOLV 160 0.0000000000 513 163 TIP3 H2 -12.6822194112 -15.8884179730 -8.9473924389 SOLV 160 0.0000000000 514 164 TIP3 OH2 -14.3762394112 -15.2938179730 -13.1525824389 SOLV 161 0.0000000000 515 164 TIP3 H1 -13.9371694112 -14.6827679730 -13.7442324389 SOLV 161 0.0000000000 516 164 TIP3 H2 -15.0099994112 -14.7554079730 -12.6785824389 SOLV 161 0.0000000000 517 165 TIP3 OH2 -8.6333194112 -15.1649179730 -9.1428824389 SOLV 162 0.0000000000 518 165 TIP3 H1 -7.7589794112 -14.7764879730 -9.1724524389 SOLV 162 0.0000000000 519 165 TIP3 H2 -8.7692394112 -15.3801379730 -8.2201624389 SOLV 162 0.0000000000 520 166 TIP3 OH2 -3.0764794112 -15.1349379730 -7.4937124389 SOLV 163 0.0000000000 521 166 TIP3 H1 -3.0003194112 -15.0397779730 -8.4431124389 SOLV 163 0.0000000000 522 166 TIP3 H2 -3.3515594112 -16.0426479730 -7.3648024389 SOLV 163 0.0000000000 523 167 TIP3 OH2 -1.7232194112 -15.1091579730 -11.8012124389 SOLV 164 0.0000000000 524 167 TIP3 H1 -2.4261094112 -14.4942379730 -12.0110724389 SOLV 164 0.0000000000 525 167 TIP3 H2 -2.1680794112 -15.9464879730 -11.6701224389 SOLV 164 0.0000000000 526 168 TIP3 OH2 -14.4752894112 0.6544020270 -12.2550724389 SOLV 165 0.0000000000 527 168 TIP3 H1 -15.1602994112 0.6162920270 -12.9225624389 SOLV 165 0.0000000000 528 168 TIP3 H2 -14.4715694112 1.5671620270 -11.9668624389 SOLV 165 0.0000000000 529 169 TIP3 OH2 -12.5153294112 -13.3776679730 -14.7101724389 SOLV 166 0.0000000000 530 169 TIP3 H1 -12.0239894112 -14.0074279730 -15.2376224389 SOLV 166 0.0000000000 531 169 TIP3 H2 -11.8916994112 -13.0817279730 -14.0470524389 SOLV 166 0.0000000000 532 170 TIP3 OH2 -7.4893194112 -13.0845179730 -12.2531224389 SOLV 167 0.0000000000 533 170 TIP3 H1 -7.3111894112 -13.7311979730 -11.5702624389 SOLV 167 0.0000000000 534 170 TIP3 H2 -7.5426994112 -12.2507479730 -11.7860124389 SOLV 167 0.0000000000 535 171 TIP3 OH2 -5.6109394112 1.8638920270 -13.8574524389 SOLV 168 0.0000000000 536 171 TIP3 H1 -4.7449194112 2.2306320270 -14.0356324389 SOLV 168 0.0000000000 537 171 TIP3 H2 -5.8576594112 1.4246920270 -14.6713724389 SOLV 168 0.0000000000 538 172 TIP3 OH2 1.0980205888 1.4269220270 -11.1783424389 SOLV 169 0.0000000000 539 172 TIP3 H1 0.9037305888 0.6791320270 -11.7433824389 SOLV 169 0.0000000000 540 172 TIP3 H2 1.0590305888 2.1849320270 -11.7615524389 SOLV 169 0.0000000000 541 173 TIP3 OH2 -13.2547794112 -14.5774379730 0.5614275611 SOLV 170 0.0000000000 542 173 TIP3 H1 -13.6209594112 -15.3431779730 1.0038975611 SOLV 170 0.0000000000 543 173 TIP3 H2 -12.3419294112 -14.5484179730 0.8479375611 SOLV 170 0.0000000000 544 174 TIP3 OH2 -11.2816994112 -15.2269979730 2.0971375611 SOLV 171 0.0000000000 545 174 TIP3 H1 -10.3833394112 -15.5009779730 1.9124775611 SOLV 171 0.0000000000 546 174 TIP3 H2 -11.6683894112 -15.9693979730 2.5613975611 SOLV 171 0.0000000000 547 175 TIP3 OH2 -12.6571694112 1.5744820270 -15.2298624389 SOLV 172 0.0000000000 548 175 TIP3 H1 -12.9247094112 1.8607720270 -14.3565524389 SOLV 172 0.0000000000 549 175 TIP3 H2 -11.8859094112 1.0284020270 -15.0776124389 SOLV 172 0.0000000000 550 176 TIP3 OH2 14.7216805888 -5.9353979730 -8.9974424389 SOLV 173 0.0000000000 551 176 TIP3 H1 14.8107905888 -4.9915779730 -9.1297324389 SOLV 173 0.0000000000 552 176 TIP3 H2 14.0834405888 -6.2107579730 -9.6555024389 SOLV 173 0.0000000000 553 177 TIP3 OH2 13.6548105888 -6.6803279730 -5.5786224389 SOLV 174 0.0000000000 554 177 TIP3 H1 13.6165605888 -7.3266979730 -4.8736624389 SOLV 174 0.0000000000 555 177 TIP3 H2 13.3324605888 -7.1468879730 -6.3497524389 SOLV 174 0.0000000000 556 178 TIP3 OH2 6.0233105888 -7.0661179730 -3.9856324389 SOLV 175 0.0000000000 557 178 TIP3 H1 6.0645205888 -7.6917879730 -3.2623924389 SOLV 175 0.0000000000 558 178 TIP3 H2 6.7260805888 -6.4422579730 -3.8035924389 SOLV 175 0.0000000000 559 179 TIP3 OH2 6.9466205888 -2.6162279730 -5.4507224389 SOLV 176 0.0000000000 560 179 TIP3 H1 6.5771405888 -3.4181779730 -5.8202924389 SOLV 176 0.0000000000 561 179 TIP3 H2 7.8877305888 -2.7847379730 -5.4043824389 SOLV 176 0.0000000000 562 180 TIP3 OH2 3.5566705888 -8.9559679730 -10.0578424389 SOLV 177 0.0000000000 563 180 TIP3 H1 3.1090105888 -8.1100979730 -10.0761924389 SOLV 177 0.0000000000 564 180 TIP3 H2 2.9957905888 -9.5355479730 -10.5733324389 SOLV 177 0.0000000000 565 181 TIP3 OH2 4.2672805888 -6.7940079730 -7.9320424389 SOLV 178 0.0000000000 566 181 TIP3 H1 4.4806305888 -7.5638479730 -7.4047424389 SOLV 178 0.0000000000 567 181 TIP3 H2 5.0050405888 -6.7043379730 -8.5352824389 SOLV 178 0.0000000000 568 182 TIP3 OH2 14.4723805888 1.3628820270 -7.0650724389 SOLV 179 0.0000000000 569 182 TIP3 H1 15.0920205888 0.6863520270 -7.3381524389 SOLV 179 0.0000000000 570 182 TIP3 H2 14.2641205888 1.1449620270 -6.1565824389 SOLV 179 0.0000000000 571 183 TIP3 OH2 12.0442505888 -4.2481879730 -5.1725224389 SOLV 180 0.0000000000 572 183 TIP3 H1 12.3480405888 -4.9340479730 -5.7671124389 SOLV 180 0.0000000000 573 183 TIP3 H2 12.7656505888 -4.1293179730 -4.5547224389 SOLV 180 0.0000000000 574 184 TIP3 OH2 15.1849505888 -9.8539479730 -4.8450424389 SOLV 181 0.0000000000 575 184 TIP3 H1 15.3275405888 -10.8002479730 -4.8248824389 SOLV 181 0.0000000000 576 184 TIP3 H2 15.0788505888 -9.6469679730 -5.7735524389 SOLV 181 0.0000000000 577 185 TIP3 OH2 8.3397805888 -11.7523079730 -7.5725624389 SOLV 182 0.0000000000 578 185 TIP3 H1 8.3828905888 -10.8924579730 -7.9909324389 SOLV 182 0.0000000000 579 185 TIP3 H2 7.8821905888 -12.3048379730 -8.2062424389 SOLV 182 0.0000000000 580 186 TIP3 OH2 4.9599305888 -9.3557279730 -6.8104224389 SOLV 183 0.0000000000 581 186 TIP3 H1 5.6135905888 -9.9055579730 -6.3784124389 SOLV 183 0.0000000000 582 186 TIP3 H2 4.9838605888 -9.6298279730 -7.7272224389 SOLV 183 0.0000000000 583 187 TIP3 OH2 10.1163805888 -7.8055979730 -7.5952724389 SOLV 184 0.0000000000 584 187 TIP3 H1 10.7324805888 -8.3320579730 -7.0858724389 SOLV 184 0.0000000000 585 187 TIP3 H2 9.5302605888 -8.4457279730 -7.9989124389 SOLV 184 0.0000000000 586 188 TIP3 OH2 7.1499705888 -12.8344679730 -3.4984824389 SOLV 185 0.0000000000 587 188 TIP3 H1 6.9311405888 -12.3044079730 -4.2648824389 SOLV 185 0.0000000000 588 188 TIP3 H2 6.4820605888 -12.6079179730 -2.8513424389 SOLV 185 0.0000000000 589 189 TIP3 OH2 14.5189505888 -3.3343579730 -9.9545724389 SOLV 186 0.0000000000 590 189 TIP3 H1 14.2234605888 -3.6571279730 -10.8058824389 SOLV 186 0.0000000000 591 189 TIP3 H2 14.1947305888 -2.4346879730 -9.9133124389 SOLV 186 0.0000000000 592 190 TIP3 OH2 9.7191105888 -5.1588979730 -3.2111124389 SOLV 187 0.0000000000 593 190 TIP3 H1 8.9790205888 -4.5607479730 -3.1075924389 SOLV 187 0.0000000000 594 190 TIP3 H2 10.4330605888 -4.6049379730 -3.5267524389 SOLV 187 0.0000000000 595 191 TIP3 OH2 6.7437005888 -10.9422879730 -5.5462624389 SOLV 188 0.0000000000 596 191 TIP3 H1 7.3573305888 -10.3095279730 -5.1730224389 SOLV 188 0.0000000000 597 191 TIP3 H2 7.2557705888 -11.4147879730 -6.2025724389 SOLV 188 0.0000000000 598 192 TIP3 OH2 8.1265405888 -3.1945979730 -2.4239624389 SOLV 189 0.0000000000 599 192 TIP3 H1 8.1213005888 -2.3152479730 -2.8020324389 SOLV 189 0.0000000000 600 192 TIP3 H2 7.2729505888 -3.2781879730 -1.9989724389 SOLV 189 0.0000000000 601 193 TIP3 OH2 4.2476305888 -3.5238079730 -11.6420324389 SOLV 190 0.0000000000 602 193 TIP3 H1 3.9757205888 -3.2947079730 -12.5307424389 SOLV 190 0.0000000000 603 193 TIP3 H2 4.2932005888 -2.6859279730 -11.1815024389 SOLV 190 0.0000000000 604 194 TIP3 OH2 13.4429305888 -6.6913979730 -11.5454124389 SOLV 191 0.0000000000 605 194 TIP3 H1 12.7314805888 -6.1564279730 -11.8973624389 SOLV 191 0.0000000000 606 194 TIP3 H2 14.1338905888 -6.6361879730 -12.2055224389 SOLV 191 0.0000000000 607 195 TIP3 OH2 13.4968505888 -8.2339679730 -14.5069124389 SOLV 192 0.0000000000 608 195 TIP3 H1 14.1978405888 -8.2112779730 -13.8555124389 SOLV 192 0.0000000000 609 195 TIP3 H2 13.7991405888 -8.8619979730 -15.1629824389 SOLV 192 0.0000000000 610 196 TIP3 OH2 8.4940705888 -5.8514479730 -8.7113224389 SOLV 193 0.0000000000 611 196 TIP3 H1 8.1635905888 -6.2221079730 -9.5296224389 SOLV 193 0.0000000000 612 196 TIP3 H2 9.0824805888 -6.5220479730 -8.3644924389 SOLV 193 0.0000000000 613 197 TIP3 OH2 9.8608205888 -2.4233879730 -6.0301024389 SOLV 194 0.0000000000 614 197 TIP3 H1 9.7659505888 -3.0020779730 -6.7866424389 SOLV 194 0.0000000000 615 197 TIP3 H2 10.5901805888 -2.7948179730 -5.5338224389 SOLV 194 0.0000000000 616 198 TIP3 OH2 8.8606205888 -7.0828879730 -5.0778224389 SOLV 195 0.0000000000 617 198 TIP3 H1 9.4258705888 -6.9614679730 -5.8407024389 SOLV 195 0.0000000000 618 198 TIP3 H2 9.1795105888 -6.4453879730 -4.4389724389 SOLV 195 0.0000000000 619 199 TIP3 OH2 15.1698405888 -1.5796979730 -4.3437724389 SOLV 196 0.0000000000 620 199 TIP3 H1 14.9295005888 -0.9173879730 -3.6958524389 SOLV 196 0.0000000000 621 199 TIP3 H2 14.9716605888 -2.4141779730 -3.9188124389 SOLV 196 0.0000000000 622 200 TIP3 OH2 9.7406905888 -2.6836179730 -0.3606324389 SOLV 197 0.0000000000 623 200 TIP3 H1 9.4294405888 -1.9012979730 0.0946875611 SOLV 197 0.0000000000 624 200 TIP3 H2 9.0907105888 -2.8367079730 -1.0464324389 SOLV 197 0.0000000000 625 201 TIP3 OH2 6.6606805888 -6.4855079730 -1.1320624389 SOLV 198 0.0000000000 626 201 TIP3 H1 6.7310005888 -5.8348279730 -0.4335624389 SOLV 198 0.0000000000 627 201 TIP3 H2 5.7699005888 -6.3827579730 -1.4669724389 SOLV 198 0.0000000000 628 202 TIP3 OH2 13.4461405888 -0.5829279730 -9.4733924389 SOLV 199 0.0000000000 629 202 TIP3 H1 13.9199005888 -0.2872979730 -8.6959724389 SOLV 199 0.0000000000 630 202 TIP3 H2 12.8830705888 0.1552320270 -9.7064324389 SOLV 199 0.0000000000 631 203 TIP3 OH2 7.4843405888 -6.7820179730 -11.1220424389 SOLV 200 0.0000000000 632 203 TIP3 H1 7.1924705888 -6.0138479730 -11.6129124389 SOLV 200 0.0000000000 633 203 TIP3 H2 6.8098605888 -7.4413979730 -11.2849024389 SOLV 200 0.0000000000 634 204 TIP3 OH2 3.5773505888 -4.4190979730 -2.3070624389 SOLV 201 0.0000000000 635 204 TIP3 H1 3.0761905888 -4.4471579730 -3.1220924389 SOLV 201 0.0000000000 636 204 TIP3 H2 3.5827205888 -5.3247779730 -1.9973324389 SOLV 201 0.0000000000 637 205 TIP3 OH2 3.3276205888 -1.6387179730 -5.4230424389 SOLV 202 0.0000000000 638 205 TIP3 H1 4.2736805888 -1.7830179730 -5.4420924389 SOLV 202 0.0000000000 639 205 TIP3 H2 3.2152505888 -0.8544379730 -4.8859224389 SOLV 202 0.0000000000 640 206 TIP3 OH2 12.5038705888 -1.3988279730 -0.8645324389 SOLV 203 0.0000000000 641 206 TIP3 H1 12.5913305888 -0.5723679730 -0.3896224389 SOLV 203 0.0000000000 642 206 TIP3 H2 11.6403805888 -1.7284479730 -0.6156024389 SOLV 203 0.0000000000 643 207 TIP3 OH2 12.9184505888 2.3735420270 -11.0584724389 SOLV 204 0.0000000000 644 207 TIP3 H1 12.8430505888 2.2522620270 -12.0049524389 SOLV 204 0.0000000000 645 207 TIP3 H2 12.9513205888 3.3228120270 -10.9400124389 SOLV 204 0.0000000000 646 208 TIP3 OH2 6.5718305888 1.1622420270 -9.2775724389 SOLV 205 0.0000000000 647 208 TIP3 H1 6.7238705888 0.8142820270 -8.3989224389 SOLV 205 0.0000000000 648 208 TIP3 H2 5.7208705888 0.8059720270 -9.5328524389 SOLV 205 0.0000000000 649 209 TIP3 OH2 15.6888605888 1.4532720270 -11.3070124389 SOLV 206 0.0000000000 650 209 TIP3 H1 14.7538405888 1.5534620270 -11.1283124389 SOLV 206 0.0000000000 651 209 TIP3 H2 15.9690505888 0.7438720270 -10.7286924389 SOLV 206 0.0000000000 652 210 TIP3 OH2 8.4452005888 -14.6255079730 -5.2683624389 SOLV 207 0.0000000000 653 210 TIP3 H1 7.5835705888 -14.7126879730 -5.6760724389 SOLV 207 0.0000000000 654 210 TIP3 H2 8.4227705888 -13.7694979730 -4.8406024389 SOLV 207 0.0000000000 655 211 TIP3 OH2 13.1079805888 -14.9034679730 -1.8936624389 SOLV 208 0.0000000000 656 211 TIP3 H1 13.5282905888 -15.3187579730 -1.1406024389 SOLV 208 0.0000000000 657 211 TIP3 H2 12.1749405888 -15.0821379730 -1.7764624389 SOLV 208 0.0000000000 658 212 TIP3 OH2 12.7697105888 -12.4111279730 -14.6085824389 SOLV 209 0.0000000000 659 212 TIP3 H1 12.5161905888 -12.3919679730 -13.6857724389 SOLV 209 0.0000000000 660 212 TIP3 H2 12.5129205888 -13.2825879730 -14.9099624389 SOLV 209 0.0000000000 661 213 TIP3 OH2 8.5362105888 -9.6600579730 -4.1733424389 SOLV 210 0.0000000000 662 213 TIP3 H1 7.8944205888 -9.7003279730 -3.4643324389 SOLV 210 0.0000000000 663 213 TIP3 H2 8.5734105888 -8.7335879730 -4.4110424389 SOLV 210 0.0000000000 664 214 TIP3 OH2 8.5331205888 -9.4390479730 -9.2613424389 SOLV 211 0.0000000000 665 214 TIP3 H1 7.6404105888 -9.7794379730 -9.3199624389 SOLV 211 0.0000000000 666 214 TIP3 H2 8.9837805888 -9.8159579730 -10.0170224389 SOLV 211 0.0000000000 667 215 TIP3 OH2 14.0686705888 -9.0230179730 -10.4442624389 SOLV 212 0.0000000000 668 215 TIP3 H1 13.6597005888 -8.2081579730 -10.7357824389 SOLV 212 0.0000000000 669 215 TIP3 H2 14.7892905888 -9.1630079730 -11.0585524389 SOLV 212 0.0000000000 670 216 TIP3 OH2 13.1708305888 -8.8473779730 1.0438075611 SOLV 213 0.0000000000 671 216 TIP3 H1 12.6082105888 -9.5522179730 1.3645875611 SOLV 213 0.0000000000 672 216 TIP3 H2 13.9971705888 -8.9681879730 1.5115675611 SOLV 213 0.0000000000 673 217 TIP3 OH2 15.0734405888 -9.5769779730 -7.6302924389 SOLV 214 0.0000000000 674 217 TIP3 H1 14.8778905888 -8.9712979730 -8.3452324389 SOLV 214 0.0000000000 675 217 TIP3 H2 15.2547005888 -10.4104579730 -8.0646624389 SOLV 214 0.0000000000 676 218 TIP3 OH2 6.2862605888 -9.3397079730 -2.3061424389 SOLV 215 0.0000000000 677 218 TIP3 H1 6.2482005888 -8.9395479730 -1.4374324389 SOLV 215 0.0000000000 678 218 TIP3 H2 5.7953705888 -10.1564679730 -2.2158524389 SOLV 215 0.0000000000 679 219 TIP3 OH2 9.6520005888 -11.9654779730 -15.5075424389 SOLV 216 0.0000000000 680 219 TIP3 H1 9.2210705888 -12.4104679730 -14.7778024389 SOLV 216 0.0000000000 681 219 TIP3 H2 8.9338705888 -11.5938479730 -16.0197924389 SOLV 216 0.0000000000 682 220 TIP3 OH2 2.8943405888 -12.2235279730 -8.4556724389 SOLV 217 0.0000000000 683 220 TIP3 H1 3.5251105888 -12.2523179730 -7.7362824389 SOLV 217 0.0000000000 684 220 TIP3 H2 3.3437705888 -12.6486579730 -9.1860824389 SOLV 217 0.0000000000 685 221 TIP3 OH2 4.1685505888 -11.4773279730 -13.0316324389 SOLV 218 0.0000000000 686 221 TIP3 H1 4.6427205888 -10.8863379730 -13.6165424389 SOLV 218 0.0000000000 687 221 TIP3 H2 3.4511905888 -10.9470379730 -12.6846224389 SOLV 218 0.0000000000 688 222 TIP3 OH2 14.3373605888 -7.9388479730 -2.9590524389 SOLV 219 0.0000000000 689 222 TIP3 H1 14.6608405888 -8.5698779730 -3.6020024389 SOLV 219 0.0000000000 690 222 TIP3 H2 13.8972905888 -8.4736279730 -2.2983124389 SOLV 219 0.0000000000 691 223 TIP3 OH2 11.1146505888 -12.0112979730 -8.1749324389 SOLV 220 0.0000000000 692 223 TIP3 H1 10.2037605888 -11.9546179730 -7.8863324389 SOLV 220 0.0000000000 693 223 TIP3 H2 11.6199405888 -12.0717479730 -7.3642124389 SOLV 220 0.0000000000 694 224 TIP3 OH2 5.9429905888 -10.3826679730 -9.3481724389 SOLV 221 0.0000000000 695 224 TIP3 H1 5.0537905888 -10.2831179730 -9.6882124389 SOLV 221 0.0000000000 696 224 TIP3 H2 6.2394805888 -11.2243679730 -9.6943824389 SOLV 221 0.0000000000 697 225 TIP3 OH2 9.5961705888 -10.3824079730 -11.6917124389 SOLV 222 0.0000000000 698 225 TIP3 H1 10.5277205888 -10.2534079730 -11.5134024389 SOLV 222 0.0000000000 699 225 TIP3 H2 9.3812005888 -9.7129779730 -12.3412424389 SOLV 222 0.0000000000 700 226 TIP3 OH2 15.5198405888 -12.7766679730 -4.9107524389 SOLV 223 0.0000000000 701 226 TIP3 H1 14.8430005888 -12.6453579730 -4.2467824389 SOLV 223 0.0000000000 702 226 TIP3 H2 15.0343305888 -12.9317179730 -5.7209824389 SOLV 223 0.0000000000 703 227 TIP3 OH2 8.2701905888 -9.1881879730 -14.1251024389 SOLV 224 0.0000000000 704 227 TIP3 H1 7.7277005888 -9.5678079730 -14.8163424389 SOLV 224 0.0000000000 705 227 TIP3 H2 9.1036805888 -8.9937179730 -14.5536924389 SOLV 224 0.0000000000 706 228 TIP3 OH2 6.4053305888 -4.6309979730 0.9740575611 SOLV 225 0.0000000000 707 228 TIP3 H1 7.1375705888 -4.3764079730 1.5355075611 SOLV 225 0.0000000000 708 228 TIP3 H2 5.6252005888 -4.4264579730 1.4895975611 SOLV 225 0.0000000000 709 229 TIP3 OH2 12.4346205888 -9.2239979730 -6.2879724389 SOLV 226 0.0000000000 710 229 TIP3 H1 12.9989605888 -9.7703379730 -6.8350124389 SOLV 226 0.0000000000 711 229 TIP3 H2 12.2869605888 -9.7458079730 -5.4992124389 SOLV 226 0.0000000000 712 230 TIP3 OH2 7.4365905888 -13.0873879730 -9.8694924389 SOLV 227 0.0000000000 713 230 TIP3 H1 7.1195405888 -13.9898579730 -9.9049524389 SOLV 227 0.0000000000 714 230 TIP3 H2 8.2180005888 -13.0856479730 -10.4223324389 SOLV 227 0.0000000000 715 231 TIP3 OH2 11.0612105888 -10.8353879730 -3.8739324389 SOLV 228 0.0000000000 716 231 TIP3 H1 10.2257405888 -10.3814379730 -3.7636924389 SOLV 228 0.0000000000 717 231 TIP3 H2 11.5852705888 -10.5595379730 -3.1219424389 SOLV 228 0.0000000000 718 232 TIP3 OH2 11.6054705888 -4.6226179730 -12.1892924389 SOLV 229 0.0000000000 719 232 TIP3 H1 10.8605705888 -5.1300879730 -12.5115024389 SOLV 229 0.0000000000 720 232 TIP3 H2 11.4711905888 -4.5738179730 -11.2428124389 SOLV 229 0.0000000000 721 233 TIP3 OH2 15.5031505888 -11.8086279730 -13.9900324389 SOLV 230 0.0000000000 722 233 TIP3 H1 14.5645705888 -11.6970679730 -14.1411524389 SOLV 230 0.0000000000 723 233 TIP3 H2 15.8003605888 -10.9519379730 -13.6834624389 SOLV 230 0.0000000000 724 234 TIP3 OH2 13.1246805888 -4.4382879730 -0.9523824389 SOLV 231 0.0000000000 725 234 TIP3 H1 12.7792905888 -4.8200479730 -0.1454224389 SOLV 231 0.0000000000 726 234 TIP3 H2 12.9246905888 -3.5049279730 -0.8810924389 SOLV 231 0.0000000000 727 235 TIP3 OH2 6.7303005888 -5.3276179730 -6.4195024389 SOLV 232 0.0000000000 728 235 TIP3 H1 7.4750205888 -5.3300479730 -7.0208524389 SOLV 232 0.0000000000 729 235 TIP3 H2 6.8079605888 -6.1512379730 -5.9379924389 SOLV 232 0.0000000000 730 236 TIP3 OH2 13.7308805888 -3.1641879730 -13.1638324389 SOLV 233 0.0000000000 731 236 TIP3 H1 13.4357205888 -2.3373979730 -12.7823524389 SOLV 233 0.0000000000 732 236 TIP3 H2 13.0278805888 -3.7834979730 -12.9676924389 SOLV 233 0.0000000000 733 237 TIP3 OH2 3.7382705888 -6.8669279730 -1.1046524389 SOLV 234 0.0000000000 734 237 TIP3 H1 3.9611305888 -7.2849679730 -0.2729024389 SOLV 234 0.0000000000 735 237 TIP3 H2 3.1362805888 -7.4794279730 -1.5273724389 SOLV 234 0.0000000000 736 238 TIP3 OH2 10.7547605888 -7.3499379730 1.1083175611 SOLV 235 0.0000000000 737 238 TIP3 H1 10.4588405888 -7.5156379730 0.2132275611 SOLV 235 0.0000000000 738 238 TIP3 H2 11.6862805888 -7.5699079730 1.0977075611 SOLV 235 0.0000000000 739 239 TIP3 OH2 15.3750405888 -1.9767379730 -1.0018824389 SOLV 236 0.0000000000 740 239 TIP3 H1 14.4744705888 -1.7934779730 -1.2694924389 SOLV 236 0.0000000000 741 239 TIP3 H2 15.4091505888 -1.7178079730 -0.0810024389 SOLV 236 0.0000000000 742 240 TIP3 OH2 9.1052405888 -1.8097979730 -9.0153524389 SOLV 237 0.0000000000 743 240 TIP3 H1 9.6324605888 -1.0363579730 -9.2154724389 SOLV 237 0.0000000000 744 240 TIP3 H2 8.2250905888 -1.5848779730 -9.3169524389 SOLV 237 0.0000000000 745 241 TIP3 OH2 4.8600105888 -6.9473879730 -14.4281124389 SOLV 238 0.0000000000 746 241 TIP3 H1 5.4760005888 -6.3206679730 -14.0486324389 SOLV 238 0.0000000000 747 241 TIP3 H2 3.9982705888 -6.6314079730 -14.1564624389 SOLV 238 0.0000000000 748 242 TIP3 OH2 10.5324705888 -4.1468079730 -9.4389224389 SOLV 239 0.0000000000 749 242 TIP3 H1 10.2914705888 -3.2213679730 -9.3973924389 SOLV 239 0.0000000000 750 242 TIP3 H2 9.7918305888 -4.6056779730 -9.0425324389 SOLV 239 0.0000000000 751 243 TIP3 OH2 11.0471305888 0.0025520270 -3.1238124389 SOLV 240 0.0000000000 752 243 TIP3 H1 11.4096005888 0.8571120270 -3.3573724389 SOLV 240 0.0000000000 753 243 TIP3 H2 11.5786505888 -0.2892879730 -2.3831824389 SOLV 240 0.0000000000 754 244 TIP3 OH2 9.2155505888 0.8749520270 -9.8937024389 SOLV 241 0.0000000000 755 244 TIP3 H1 8.2656005888 0.9806920270 -9.8423724389 SOLV 241 0.0000000000 756 244 TIP3 H2 9.5673605888 1.6956920270 -9.5489524389 SOLV 241 0.0000000000 757 245 TIP3 OH2 14.5912105888 -3.8983779730 -3.4232524389 SOLV 242 0.0000000000 758 245 TIP3 H1 14.1653405888 -4.1262079730 -2.5968524389 SOLV 242 0.0000000000 759 245 TIP3 H2 15.1717905888 -4.6371979730 -3.6057224389 SOLV 242 0.0000000000 760 246 TIP3 OH2 5.3722205888 -12.1136579730 -1.5465124389 SOLV 243 0.0000000000 761 246 TIP3 H1 4.4794505888 -11.7751179730 -1.6141124389 SOLV 243 0.0000000000 762 246 TIP3 H2 5.2735005888 -12.9690479730 -1.1284324389 SOLV 243 0.0000000000 763 247 TIP3 OH2 5.0234205888 -0.3092179730 -3.1115724389 SOLV 244 0.0000000000 764 247 TIP3 H1 5.2404505888 -1.2409779730 -3.1426024389 SOLV 244 0.0000000000 765 247 TIP3 H2 5.2697705888 -0.0347179730 -2.2282924389 SOLV 244 0.0000000000 766 248 TIP3 OH2 10.8848805888 -1.8577179730 -15.9023524389 SOLV 245 0.0000000000 767 248 TIP3 H1 11.1238605888 -2.6059079730 -16.4494624389 SOLV 245 0.0000000000 768 248 TIP3 H2 10.6160105888 -2.2455479730 -15.0695724389 SOLV 245 0.0000000000 769 249 TIP3 OH2 9.8219405888 -2.2873379730 -13.4460924389 SOLV 246 0.0000000000 770 249 TIP3 H1 9.9687405888 -2.8073579730 -12.6560024389 SOLV 246 0.0000000000 771 249 TIP3 H2 9.8191105888 -1.3805779730 -13.1395024389 SOLV 246 0.0000000000 772 250 TIP3 OH2 6.2750505888 -5.0350079730 -12.9355524389 SOLV 247 0.0000000000 773 250 TIP3 H1 5.5889805888 -4.6827579730 -12.3685824389 SOLV 247 0.0000000000 774 250 TIP3 H2 6.7978405888 -4.2720479730 -13.1821224389 SOLV 247 0.0000000000 775 251 TIP3 OH2 14.1065605888 -12.3726279730 -2.6566524389 SOLV 248 0.0000000000 776 251 TIP3 H1 14.8053505888 -12.2987579730 -2.0066824389 SOLV 248 0.0000000000 777 251 TIP3 H2 13.7257005888 -13.2371279730 -2.5023624389 SOLV 248 0.0000000000 778 252 TIP3 OH2 14.8910505888 -12.7204579730 -11.5594224389 SOLV 249 0.0000000000 779 252 TIP3 H1 15.1108805888 -12.2489179730 -12.3628824389 SOLV 249 0.0000000000 780 252 TIP3 H2 15.4494505888 -12.3261979730 -10.8893624389 SOLV 249 0.0000000000 781 253 TIP3 OH2 12.5596605888 -0.5899779730 -12.6966724389 SOLV 250 0.0000000000 782 253 TIP3 H1 11.7432705888 -0.0930079730 -12.6442424389 SOLV 250 0.0000000000 783 253 TIP3 H2 13.0892905888 -0.1146279730 -13.3367924389 SOLV 250 0.0000000000 784 254 TIP3 OH2 12.0910405888 -10.9925779730 -10.7245824389 SOLV 251 0.0000000000 785 254 TIP3 H1 12.9033005888 -10.4882579730 -10.6784124389 SOLV 251 0.0000000000 786 254 TIP3 H2 11.8463405888 -11.1376079730 -9.8106224389 SOLV 251 0.0000000000 787 255 TIP3 OH2 12.6266805888 -10.0063079730 -1.5399224389 SOLV 252 0.0000000000 788 255 TIP3 H1 12.7457105888 -9.4327679730 -0.7828824389 SOLV 252 0.0000000000 789 255 TIP3 H2 13.2821405888 -10.6943679730 -1.4251424389 SOLV 252 0.0000000000 790 256 TIP3 OH2 12.9747105888 -13.9112779730 -9.7864724389 SOLV 253 0.0000000000 791 256 TIP3 H1 12.6280605888 -13.2942179730 -9.1420424389 SOLV 253 0.0000000000 792 256 TIP3 H2 13.6334005888 -13.4107079730 -10.2679224389 SOLV 253 0.0000000000 793 257 TIP3 OH2 9.8979705888 0.4537420270 -12.7149824389 SOLV 254 0.0000000000 794 257 TIP3 H1 10.0588405888 1.2534920270 -13.2157224389 SOLV 254 0.0000000000 795 257 TIP3 H2 9.7007505888 0.7603420270 -11.8299224389 SOLV 254 0.0000000000 796 258 TIP3 OH2 8.6324105888 -12.8483379730 -13.0992224389 SOLV 255 0.0000000000 797 258 TIP3 H1 8.5488905888 -11.9600279730 -12.7525824389 SOLV 255 0.0000000000 798 258 TIP3 H2 9.5224405888 -13.1136679730 -12.8675424389 SOLV 255 0.0000000000 799 259 TIP3 OH2 6.8909405888 -2.4211179730 -14.0387724389 SOLV 256 0.0000000000 800 259 TIP3 H1 7.4830905888 -1.7216379730 -13.7625324389 SOLV 256 0.0000000000 801 259 TIP3 H2 7.3502405888 -2.8541679730 -14.7583124389 SOLV 256 0.0000000000 802 260 TIP3 OH2 5.2068605888 -9.7568179730 -14.9228324389 SOLV 257 0.0000000000 803 260 TIP3 H1 5.1621205888 -8.8175079730 -14.7441324389 SOLV 257 0.0000000000 804 260 TIP3 H2 4.3191805888 -9.9923279730 -15.1926224389 SOLV 257 0.0000000000 805 261 TIP3 OH2 6.0150605888 -14.9751579730 -6.2497324389 SOLV 258 0.0000000000 806 261 TIP3 H1 5.7860405888 -14.9159079730 -7.1772324389 SOLV 258 0.0000000000 807 261 TIP3 H2 5.5724005888 -15.7666079730 -5.9433224389 SOLV 258 0.0000000000 808 262 TIP3 OH2 4.9453905888 -1.0344479730 -10.0891524389 SOLV 259 0.0000000000 809 262 TIP3 H1 4.1132505888 -0.5621779730 -10.0620124389 SOLV 259 0.0000000000 810 262 TIP3 H2 5.4912205888 -0.5246879730 -10.6878424389 SOLV 259 0.0000000000 811 263 TIP3 OH2 12.9230605888 0.0054220270 -15.7637524389 SOLV 260 0.0000000000 812 263 TIP3 H1 12.2791605888 -0.6257179730 -15.4423824389 SOLV 260 0.0000000000 813 263 TIP3 H2 13.6848905888 -0.5257779730 -15.9954024389 SOLV 260 0.0000000000 814 264 TIP3 OH2 15.4079705888 -1.1225279730 1.5902175611 SOLV 261 0.0000000000 815 264 TIP3 H1 15.0569205888 -1.9792279730 1.8332575611 SOLV 261 0.0000000000 816 264 TIP3 H2 16.1342905888 -0.9798579730 2.1971175611 SOLV 261 0.0000000000 817 265 TIP3 OH2 4.1407105888 -4.6116679730 2.1950775611 SOLV 262 0.0000000000 818 265 TIP3 H1 4.2847605888 -5.5135979730 1.9087475611 SOLV 262 0.0000000000 819 265 TIP3 H2 3.3684505888 -4.3254579730 1.7073075611 SOLV 262 0.0000000000 820 266 TIP3 OH2 8.4820805888 -4.2680979730 -15.6724624389 SOLV 263 0.0000000000 821 266 TIP3 H1 8.5464905888 -5.0621379730 -15.1418224389 SOLV 263 0.0000000000 822 266 TIP3 H2 9.1350005888 -4.3868179730 -16.3622624389 SOLV 263 0.0000000000 823 267 TIP3 OH2 10.7963205888 -4.6418579730 1.6277175611 SOLV 264 0.0000000000 824 267 TIP3 H1 10.4677005888 -4.3710479730 0.7704575611 SOLV 264 0.0000000000 825 267 TIP3 H2 10.9481405888 -5.5828779730 1.5402175611 SOLV 264 0.0000000000 826 268 TIP3 OH2 13.8344205888 -3.2209279730 -15.9366624389 SOLV 265 0.0000000000 827 268 TIP3 H1 13.5658305888 -3.0407179730 -15.0357724389 SOLV 265 0.0000000000 828 268 TIP3 H2 13.6279805888 -4.1463079730 -16.0680824389 SOLV 265 0.0000000000 829 269 TIP3 OH2 4.9733605888 -7.4113379730 1.6150075611 SOLV 266 0.0000000000 830 269 TIP3 H1 5.3814805888 -8.2686779730 1.4940675611 SOLV 266 0.0000000000 831 269 TIP3 H2 4.7131205888 -7.3972079730 2.5360375611 SOLV 266 0.0000000000 832 270 TIP3 OH2 9.6314605888 -6.2954779730 -13.3666624389 SOLV 267 0.0000000000 833 270 TIP3 H1 9.1716605888 -6.7796479730 -12.6808124389 SOLV 267 0.0000000000 834 270 TIP3 H2 9.8863305888 -6.9639379730 -14.0026124389 SOLV 267 0.0000000000 835 271 TIP3 OH2 8.9203905888 -8.4027679730 -1.0107024389 SOLV 268 0.0000000000 836 271 TIP3 H1 8.3020005888 -7.7281079730 -0.7302324389 SOLV 268 0.0000000000 837 271 TIP3 H2 9.2645105888 -8.0813779730 -1.8440824389 SOLV 268 0.0000000000 838 272 TIP3 OH2 10.7025005888 -8.0522979730 -15.1043424389 SOLV 269 0.0000000000 839 272 TIP3 H1 10.5220005888 -8.2071779730 -16.0315124389 SOLV 269 0.0000000000 840 272 TIP3 H2 11.6525505888 -7.9444279730 -15.0595524389 SOLV 269 0.0000000000 841 273 TIP3 OH2 13.9402105888 -5.9312379730 2.2667775611 SOLV 270 0.0000000000 842 273 TIP3 H1 14.8933305888 -5.8473279730 2.2393775611 SOLV 270 0.0000000000 843 273 TIP3 H2 13.7796705888 -6.6430579730 2.8862675611 SOLV 270 0.0000000000 844 274 TIP3 OH2 9.2597605888 -11.0476879730 0.0716075611 SOLV 271 0.0000000000 845 274 TIP3 H1 9.4098505888 -11.7765579730 -0.5304224389 SOLV 271 0.0000000000 846 274 TIP3 H2 9.2620005888 -10.2705179730 -0.4871724389 SOLV 271 0.0000000000 847 275 TIP3 OH2 9.6723305888 -12.6781079730 -2.4356524389 SOLV 272 0.0000000000 848 275 TIP3 H1 10.2080805888 -12.2264379730 -3.0877224389 SOLV 272 0.0000000000 849 275 TIP3 H2 8.8202905888 -12.7861279730 -2.8582424389 SOLV 272 0.0000000000 850 276 TIP3 OH2 11.2541705888 -7.2384879730 -2.1961324389 SOLV 273 0.0000000000 851 276 TIP3 H1 12.0046505888 -7.3947379730 -2.7693524389 SOLV 273 0.0000000000 852 276 TIP3 H2 10.9150005888 -6.3868279730 -2.4715824389 SOLV 273 0.0000000000 853 277 TIP3 OH2 7.7383905888 -9.8493379730 1.9831675611 SOLV 274 0.0000000000 854 277 TIP3 H1 6.9712905888 -10.3818579730 1.7729275611 SOLV 274 0.0000000000 855 277 TIP3 H2 8.4172905888 -10.1592979730 1.3837975611 SOLV 274 0.0000000000 856 278 TIP3 OH2 10.4778805888 -15.2215379730 -2.0042924389 SOLV 275 0.0000000000 857 278 TIP3 H1 10.3798405888 -14.2752179730 -2.1096724389 SOLV 275 0.0000000000 858 278 TIP3 H2 9.7355005888 -15.5941579730 -2.4799424389 SOLV 275 0.0000000000 859 279 TIP3 OH2 11.7419305888 -10.8999979730 1.5595475611 SOLV 276 0.0000000000 860 279 TIP3 H1 11.5064705888 -11.1193279730 2.4610375611 SOLV 276 0.0000000000 861 279 TIP3 H2 10.9586205888 -11.1068779730 1.0497975611 SOLV 276 0.0000000000 862 280 TIP3 OH2 14.4575905888 -11.7726479730 0.6348975611 SOLV 277 0.0000000000 863 280 TIP3 H1 13.5101305888 -11.7406779730 0.7672275611 SOLV 277 0.0000000000 864 280 TIP3 H2 14.7702605888 -12.3979379730 1.2887175611 SOLV 277 0.0000000000 865 281 TIP3 OH2 5.9186705888 -11.9289579730 1.6876375611 SOLV 278 0.0000000000 866 281 TIP3 H1 6.1304105888 -12.6353479730 1.0773875611 SOLV 278 0.0000000000 867 281 TIP3 H2 5.8074205888 -12.3663579730 2.5317575611 SOLV 278 0.0000000000 868 282 TIP3 OH2 11.0534405888 -14.2449579730 2.7206175611 SOLV 279 0.0000000000 869 282 TIP3 H1 10.9216605888 -14.7205779730 1.9004675611 SOLV 279 0.0000000000 870 282 TIP3 H2 10.4541805888 -13.5005979730 2.6653275611 SOLV 279 0.0000000000 871 283 TIP3 OH2 10.5996705888 2.6380720270 -14.1029824389 SOLV 280 0.0000000000 872 283 TIP3 H1 11.5327405888 2.7959420270 -13.9591424389 SOLV 280 0.0000000000 873 283 TIP3 H2 10.3355505888 3.3133720270 -14.7278324389 SOLV 280 0.0000000000 874 284 TIP3 OH2 4.1681605888 -2.7255479730 -14.6201724389 SOLV 281 0.0000000000 875 284 TIP3 H1 5.0820805888 -2.6466579730 -14.3467824389 SOLV 281 0.0000000000 876 284 TIP3 H2 4.1754705888 -3.4125879730 -15.2866124389 SOLV 281 0.0000000000 877 285 TIP3 OH2 2.8172205888 2.6673020270 -9.5427824389 SOLV 282 0.0000000000 878 285 TIP3 H1 2.1699305888 2.2054720270 -10.0756624389 SOLV 282 0.0000000000 879 285 TIP3 H2 3.1716805888 1.9956320270 -8.9601624389 SOLV 282 0.0000000000 880 286 TIP3 OH2 3.6871405888 0.7480020270 -7.7381624389 SOLV 283 0.0000000000 881 286 TIP3 H1 3.3528205888 -0.1322679730 -7.5661424389 SOLV 283 0.0000000000 882 286 TIP3 H2 3.9093805888 1.0935020270 -6.8736024389 SOLV 283 0.0000000000 883 287 TIP3 OH2 3.7670905888 -6.1764579730 -5.2866724389 SOLV 284 0.0000000000 884 287 TIP3 H1 3.9513805888 -6.2582879730 -6.2223824389 SOLV 284 0.0000000000 885 287 TIP3 H2 4.6163805888 -6.3007579730 -4.8630324389 SOLV 284 0.0000000000 886 288 TIP3 OH2 3.3645705888 -10.9059579730 0.8542075611 SOLV 285 0.0000000000 887 288 TIP3 H1 4.2840605888 -11.0281279730 1.0905175611 SOLV 285 0.0000000000 888 288 TIP3 H2 2.9150205888 -11.6559879730 1.2435575611 SOLV 285 0.0000000000 889 289 TIP3 OH2 4.5858205888 -12.5937979730 -6.2545024389 SOLV 286 0.0000000000 890 289 TIP3 H1 5.0309805888 -13.3855479730 -5.9525324389 SOLV 286 0.0000000000 891 289 TIP3 H2 5.0521205888 -11.8772779730 -5.8239424389 SOLV 286 0.0000000000 892 290 TIP3 OH2 2.8898505888 -9.5944979730 -5.1854824389 SOLV 287 0.0000000000 893 290 TIP3 H1 3.3818305888 -9.8154479730 -5.9762824389 SOLV 287 0.0000000000 894 290 TIP3 H2 3.2519405888 -8.7541579730 -4.9045324389 SOLV 287 0.0000000000 895 291 TIP3 OH2 3.2035005888 -13.3365879730 -11.1312424389 SOLV 288 0.0000000000 896 291 TIP3 H1 2.2783405888 -13.1279279730 -11.2606924389 SOLV 288 0.0000000000 897 291 TIP3 H2 3.6574905888 -12.8525079730 -11.8210124389 SOLV 288 0.0000000000 898 292 TIP3 OH2 8.3132605888 -0.4491579730 -2.3840124389 SOLV 289 0.0000000000 899 292 TIP3 H1 7.8883705888 0.3606920270 -2.6665524389 SOLV 289 0.0000000000 900 292 TIP3 H2 9.2175405888 -0.3637479730 -2.6860324389 SOLV 289 0.0000000000 901 293 TIP3 OH2 12.6244005888 0.9498420270 0.5753575611 SOLV 290 0.0000000000 902 293 TIP3 H1 12.8091505888 0.6164520270 1.4533875611 SOLV 290 0.0000000000 903 293 TIP3 H2 13.4708505888 1.2597020270 0.2532775611 SOLV 290 0.0000000000 904 294 TIP3 OH2 14.9694405888 2.2357320270 -0.1805024389 SOLV 291 0.0000000000 905 294 TIP3 H1 15.6463305888 1.6029620270 -0.4205824389 SOLV 291 0.0000000000 906 294 TIP3 H2 15.2913205888 2.6367820270 0.6268275611 SOLV 291 0.0000000000 907 295 TIP3 OH2 5.7149305888 2.8072320270 -2.3364824389 SOLV 292 0.0000000000 908 295 TIP3 H1 4.9945705888 3.2473320270 -2.7877124389 SOLV 292 0.0000000000 909 295 TIP3 H2 5.3493305888 2.5567020270 -1.4880824389 SOLV 292 0.0000000000 910 296 TIP3 OH2 8.1821905888 2.4076220270 -3.3067624389 SOLV 293 0.0000000000 911 296 TIP3 H1 7.3174105888 2.4794720270 -2.9027524389 SOLV 293 0.0000000000 912 296 TIP3 H2 8.1270905888 2.9543520270 -4.0905124389 SOLV 293 0.0000000000 913 297 TIP3 OH2 12.8927505888 2.2955120270 -4.1311624389 SOLV 294 0.0000000000 914 297 TIP3 H1 12.4361505888 2.8244820270 -4.7853224389 SOLV 294 0.0000000000 915 297 TIP3 H2 13.0555505888 2.8986520270 -3.4059324389 SOLV 294 0.0000000000 916 298 TIP3 OH2 15.2203805888 1.1734720270 -3.1861324389 SOLV 295 0.0000000000 917 298 TIP3 H1 14.3157505888 1.3384920270 -3.4519224389 SOLV 295 0.0000000000 918 298 TIP3 H2 15.6492405888 2.0266920270 -3.2517924389 SOLV 295 0.0000000000 919 299 TIP3 OH2 5.1297405888 1.4304820270 -5.4263024389 SOLV 296 0.0000000000 920 299 TIP3 H1 5.1113405888 1.0049920270 -4.5690724389 SOLV 296 0.0000000000 921 299 TIP3 H2 5.9345305888 1.1119820270 -5.8350824389 SOLV 296 0.0000000000 922 300 TIP3 OH2 7.2710505888 0.1403520270 -6.7713124389 SOLV 297 0.0000000000 923 300 TIP3 H1 7.0521205888 -0.7759079730 -6.6017124389 SOLV 297 0.0000000000 924 300 TIP3 H2 8.0952705888 0.2803920270 -6.3051724389 SOLV 297 0.0000000000 925 301 TIP3 OH2 9.8083005888 0.6102820270 -5.9225124389 SOLV 298 0.0000000000 926 301 TIP3 H1 10.0208705888 -0.2778179730 -6.2094224389 SOLV 298 0.0000000000 927 301 TIP3 H2 9.8728105888 0.5760520270 -4.9681124389 SOLV 298 0.0000000000 928 302 TIP3 OH2 5.6434205888 -15.0916279730 -8.9561924389 SOLV 299 0.0000000000 929 302 TIP3 H1 4.8664005888 -15.3261379730 -9.4636024389 SOLV 299 0.0000000000 930 302 TIP3 H2 6.1737805888 -15.8884179730 -8.9473924389 SOLV 299 0.0000000000 931 303 TIP3 OH2 4.4797605888 -15.2938179730 -13.1525824389 SOLV 300 0.0000000000 932 303 TIP3 H1 4.9188305888 -14.6827679730 -13.7442324389 SOLV 300 0.0000000000 933 303 TIP3 H2 3.8460005888 -14.7554079730 -12.6785824389 SOLV 300 0.0000000000 934 304 TIP3 OH2 10.2226805888 -15.1649179730 -9.1428824389 SOLV 301 0.0000000000 935 304 TIP3 H1 11.0970205888 -14.7764879730 -9.1724524389 SOLV 301 0.0000000000 936 304 TIP3 H2 10.0867605888 -15.3801379730 -8.2201624389 SOLV 301 0.0000000000 937 305 TIP3 OH2 15.7795205888 -15.1349379730 -7.4937124389 SOLV 302 0.0000000000 938 305 TIP3 H1 15.8556805888 -15.0397779730 -8.4431124389 SOLV 302 0.0000000000 939 305 TIP3 H2 15.5044405888 -16.0426479730 -7.3648024389 SOLV 302 0.0000000000 940 306 TIP3 OH2 4.3807105888 0.6544020270 -12.2550724389 SOLV 303 0.0000000000 941 306 TIP3 H1 3.6957005888 0.6162920270 -12.9225624389 SOLV 303 0.0000000000 942 306 TIP3 H2 4.3844305888 1.5671620270 -11.9668624389 SOLV 303 0.0000000000 943 307 TIP3 OH2 6.3406705888 -13.3776679730 -14.7101724389 SOLV 304 0.0000000000 944 307 TIP3 H1 6.8320105888 -14.0074279730 -15.2376224389 SOLV 304 0.0000000000 945 307 TIP3 H2 6.9643005888 -13.0817279730 -14.0470524389 SOLV 304 0.0000000000 946 308 TIP3 OH2 11.3666805888 -13.0845179730 -12.2531224389 SOLV 305 0.0000000000 947 308 TIP3 H1 11.5448105888 -13.7311979730 -11.5702624389 SOLV 305 0.0000000000 948 308 TIP3 H2 11.3133005888 -12.2507479730 -11.7860124389 SOLV 305 0.0000000000 949 309 TIP3 OH2 13.2450605888 1.8638920270 -13.8574524389 SOLV 306 0.0000000000 950 309 TIP3 H1 14.1110805888 2.2306320270 -14.0356324389 SOLV 306 0.0000000000 951 309 TIP3 H2 12.9983405888 1.4246920270 -14.6713724389 SOLV 306 0.0000000000 952 310 TIP3 OH2 5.6012205888 -14.5774379730 0.5614275611 SOLV 307 0.0000000000 953 310 TIP3 H1 5.2350405888 -15.3431779730 1.0038975611 SOLV 307 0.0000000000 954 310 TIP3 H2 6.5140705888 -14.5484179730 0.8479375611 SOLV 307 0.0000000000 955 311 TIP3 OH2 7.5743005888 -15.2269979730 2.0971375611 SOLV 308 0.0000000000 956 311 TIP3 H1 8.4726605888 -15.5009779730 1.9124775611 SOLV 308 0.0000000000 957 311 TIP3 H2 7.1876105888 -15.9693979730 2.5613975611 SOLV 308 0.0000000000 958 312 TIP3 OH2 -4.1343194112 12.9206020270 -8.9974424389 SOLV 309 0.0000000000 959 312 TIP3 H1 -4.0452094112 13.8644220270 -9.1297324389 SOLV 309 0.0000000000 960 312 TIP3 H2 -4.7725594112 12.6452420270 -9.6555024389 SOLV 309 0.0000000000 961 313 TIP3 OH2 -12.8326894112 11.7898820270 -3.9856324389 SOLV 310 0.0000000000 962 313 TIP3 H1 -12.7914794112 11.1642120270 -3.2623924389 SOLV 310 0.0000000000 963 313 TIP3 H2 -12.1299194112 12.4137420270 -3.8035924389 SOLV 310 0.0000000000 964 314 TIP3 OH2 -1.4951694112 15.1147120270 -7.2771124389 SOLV 311 0.0000000000 965 314 TIP3 H1 -1.9358994112 14.3943120270 -6.8265524389 SOLV 311 0.0000000000 966 314 TIP3 H2 -1.5081994112 15.8354320270 -6.6473424389 SOLV 311 0.0000000000 967 315 TIP3 OH2 -15.2993294112 9.9000320270 -10.0578424389 SOLV 312 0.0000000000 968 315 TIP3 H1 -15.7469894112 10.7459020270 -10.0761924389 SOLV 312 0.0000000000 969 315 TIP3 H2 -15.8602094112 9.3204520270 -10.5733324389 SOLV 312 0.0000000000 970 316 TIP3 OH2 -14.5887194112 12.0619920270 -7.9320424389 SOLV 313 0.0000000000 971 316 TIP3 H1 -14.3753694112 11.2921520270 -7.4047424389 SOLV 313 0.0000000000 972 316 TIP3 H2 -13.8509594112 12.1516620270 -8.5352824389 SOLV 313 0.0000000000 973 317 TIP3 OH2 1.8512305888 6.2093420270 -4.3119024389 SOLV 314 0.0000000000 974 317 TIP3 H1 1.9004505888 6.8194620270 -3.5759924389 SOLV 314 0.0000000000 975 317 TIP3 H2 2.2767405888 6.6704320270 -5.0347924389 SOLV 314 0.0000000000 976 318 TIP3 OH2 -3.6710494112 9.0020520270 -4.8450424389 SOLV 315 0.0000000000 977 318 TIP3 H1 -3.5284594112 8.0557520270 -4.8248824389 SOLV 315 0.0000000000 978 318 TIP3 H2 -3.7771494112 9.2090320270 -5.7735524389 SOLV 315 0.0000000000 979 319 TIP3 OH2 -10.5162194112 7.1036920270 -7.5725624389 SOLV 316 0.0000000000 980 319 TIP3 H1 -10.4731094112 7.9635420270 -7.9909324389 SOLV 316 0.0000000000 981 319 TIP3 H2 -10.9738094112 6.5511620270 -8.2062424389 SOLV 316 0.0000000000 982 320 TIP3 OH2 -2.7939494112 7.2342520270 -9.1717324389 SOLV 317 0.0000000000 983 320 TIP3 H1 -2.1475194112 6.9055720270 -8.5469724389 SOLV 317 0.0000000000 984 320 TIP3 H2 -2.2840094112 7.7521520270 -9.7945924389 SOLV 317 0.0000000000 985 321 TIP3 OH2 -13.8960694112 9.5002720270 -6.8104224389 SOLV 318 0.0000000000 986 321 TIP3 H1 -13.2424094112 8.9504420270 -6.3784124389 SOLV 318 0.0000000000 987 321 TIP3 H2 -13.8721394112 9.2261720270 -7.7272224389 SOLV 318 0.0000000000 988 322 TIP3 OH2 -8.7396194112 11.0504020270 -7.5952724389 SOLV 319 0.0000000000 989 322 TIP3 H1 -8.1235194112 10.5239420270 -7.0858724389 SOLV 319 0.0000000000 990 322 TIP3 H2 -9.3257394112 10.4102720270 -7.9989124389 SOLV 319 0.0000000000 991 323 TIP3 OH2 2.2426905888 7.6872620270 -2.0759224389 SOLV 320 0.0000000000 992 323 TIP3 H1 1.5541505888 8.3453320270 -2.1712624389 SOLV 320 0.0000000000 993 323 TIP3 H2 2.2581505888 7.4900520270 -1.1393824389 SOLV 320 0.0000000000 994 324 TIP3 OH2 -11.7060294112 6.0215320270 -3.4984824389 SOLV 321 0.0000000000 995 324 TIP3 H1 -11.9248594112 6.5515920270 -4.2648824389 SOLV 321 0.0000000000 996 324 TIP3 H2 -12.3739394112 6.2480820270 -2.8513424389 SOLV 321 0.0000000000 997 325 TIP3 OH2 -9.1368894112 13.6971020270 -3.2111124389 SOLV 322 0.0000000000 998 325 TIP3 H1 -9.8769794112 14.2952520270 -3.1075924389 SOLV 322 0.0000000000 999 325 TIP3 H2 -8.4229394112 14.2510620270 -3.5267524389 SOLV 322 0.0000000000 1000 326 TIP3 OH2 -1.0301094112 6.5251820270 -7.1911424389 SOLV 323 0.0000000000 1001 326 TIP3 H1 -1.2453094112 5.7595220270 -6.6585424389 SOLV 323 0.0000000000 1002 326 TIP3 H2 -0.3743694112 6.9976420270 -6.6782924389 SOLV 323 0.0000000000 1003 327 TIP3 OH2 -12.1122994112 7.9137120270 -5.5462624389 SOLV 324 0.0000000000 1004 327 TIP3 H1 -11.4986694112 8.5464720270 -5.1730224389 SOLV 324 0.0000000000 1005 327 TIP3 H2 -11.6002294112 7.4412120270 -6.2025724389 SOLV 324 0.0000000000 1006 328 TIP3 OH2 -14.6083694112 15.3321920270 -11.6420324389 SOLV 325 0.0000000000 1007 328 TIP3 H1 -14.8802794112 15.5612920270 -12.5307424389 SOLV 325 0.0000000000 1008 328 TIP3 H2 -14.5627994112 16.1700720270 -11.1815024389 SOLV 325 0.0000000000 1009 329 TIP3 OH2 -0.6826994112 5.2403120270 -3.5117924389 SOLV 326 0.0000000000 1010 329 TIP3 H1 -1.4187794112 5.8510220270 -3.5496624389 SOLV 326 0.0000000000 1011 329 TIP3 H2 0.0007005888 5.6552120270 -4.0381524389 SOLV 326 0.0000000000 1012 330 TIP3 OH2 -7.6795594112 3.3270420270 -6.0459924389 SOLV 327 0.0000000000 1013 330 TIP3 H1 -7.7971394112 2.3786420270 -6.1001624389 SOLV 327 0.0000000000 1014 330 TIP3 H2 -8.5345494112 3.6596520270 -5.7728824389 SOLV 327 0.0000000000 1015 331 TIP3 OH2 0.1143905888 15.2026520270 -1.3180124389 SOLV 328 0.0000000000 1016 331 TIP3 H1 0.2540205888 14.6109020270 -2.0573124389 SOLV 328 0.0000000000 1017 331 TIP3 H2 0.2816705888 16.0752420270 -1.6741324389 SOLV 328 0.0000000000 1018 332 TIP3 OH2 -5.3591494112 10.6220320270 -14.5069124389 SOLV 329 0.0000000000 1019 332 TIP3 H1 -4.6581594112 10.6447220270 -13.8555124389 SOLV 329 0.0000000000 1020 332 TIP3 H2 -5.0568594112 9.9940020270 -15.1629824389 SOLV 329 0.0000000000 1021 333 TIP3 OH2 1.9563205888 11.5424520270 -3.2519724389 SOLV 330 0.0000000000 1022 333 TIP3 H1 1.3037305888 12.2370120270 -3.1628824389 SOLV 330 0.0000000000 1023 333 TIP3 H2 2.4213505888 11.7525420270 -4.0618124389 SOLV 330 0.0000000000 1024 334 TIP3 OH2 -2.0072994112 12.3739320270 -10.5938224389 SOLV 331 0.0000000000 1025 334 TIP3 H1 -2.7391994112 12.6023020270 -10.0207624389 SOLV 331 0.0000000000 1026 334 TIP3 H2 -1.5600794112 11.6602020270 -10.1390724389 SOLV 331 0.0000000000 1027 335 TIP3 OH2 -2.1099494112 10.5481920270 -1.5261224389 SOLV 332 0.0000000000 1028 335 TIP3 H1 -2.0300394112 11.3116320270 -0.9542724389 SOLV 332 0.0000000000 1029 335 TIP3 H2 -2.7111794112 10.8274320270 -2.2166124389 SOLV 332 0.0000000000 1030 336 TIP3 OH2 -10.3619294112 13.0045520270 -8.7113224389 SOLV 333 0.0000000000 1031 336 TIP3 H1 -10.6924094112 12.6338920270 -9.5296224389 SOLV 333 0.0000000000 1032 336 TIP3 H2 -9.7735194112 12.3339520270 -8.3644924389 SOLV 333 0.0000000000 1033 337 TIP3 OH2 -9.9953794112 11.7731120270 -5.0778224389 SOLV 334 0.0000000000 1034 337 TIP3 H1 -9.4301294112 11.8945320270 -5.8407024389 SOLV 334 0.0000000000 1035 337 TIP3 H2 -9.6764894112 12.4106120270 -4.4389724389 SOLV 334 0.0000000000 1036 338 TIP3 OH2 -3.1363494112 11.5362220270 -12.9087024389 SOLV 335 0.0000000000 1037 338 TIP3 H1 -2.5567994112 11.6862520270 -12.1618124389 SOLV 335 0.0000000000 1038 338 TIP3 H2 -2.7223494112 12.0069620270 -13.6320624389 SOLV 335 0.0000000000 1039 339 TIP3 OH2 -12.1953194112 12.3704920270 -1.1320624389 SOLV 336 0.0000000000 1040 339 TIP3 H1 -12.1249994112 13.0211720270 -0.4335624389 SOLV 336 0.0000000000 1041 339 TIP3 H2 -13.0860994112 12.4732420270 -1.4669724389 SOLV 336 0.0000000000 1042 340 TIP3 OH2 0.5624905888 3.2862620270 -13.0957324389 SOLV 337 0.0000000000 1043 340 TIP3 H1 -0.3374394112 3.4251620270 -12.8006724389 SOLV 337 0.0000000000 1044 340 TIP3 H2 0.8143305888 4.1177220270 -13.4975624389 SOLV 337 0.0000000000 1045 341 TIP3 OH2 -11.3716594112 12.0739820270 -11.1220424389 SOLV 338 0.0000000000 1046 341 TIP3 H1 -11.6635294112 12.8421520270 -11.6129124389 SOLV 338 0.0000000000 1047 341 TIP3 H2 -12.0461394112 11.4146020270 -11.2849024389 SOLV 338 0.0000000000 1048 342 TIP3 OH2 -15.2786494112 14.4369020270 -2.3070624389 SOLV 339 0.0000000000 1049 342 TIP3 H1 -15.7798094112 14.4088420270 -3.1220924389 SOLV 339 0.0000000000 1050 342 TIP3 H2 -15.2732794112 13.5312220270 -1.9973324389 SOLV 339 0.0000000000 1051 343 TIP3 OH2 -0.1785494112 9.3765020270 0.7395475611 SOLV 340 0.0000000000 1052 343 TIP3 H1 -0.5858694112 9.8570620270 0.0188775611 SOLV 340 0.0000000000 1053 343 TIP3 H2 -0.1379794112 8.4711020270 0.4316275611 SOLV 340 0.0000000000 1054 344 TIP3 OH2 -13.0295994112 15.7604420270 -1.2637824389 SOLV 341 0.0000000000 1055 344 TIP3 H1 -12.8134694112 15.3990020270 -0.4042024389 SOLV 341 0.0000000000 1056 344 TIP3 H2 -13.8851294112 15.3858220270 -1.4734324389 SOLV 341 0.0000000000 1057 345 TIP3 OH2 -10.4107994112 4.2304920270 -5.2683624389 SOLV 342 0.0000000000 1058 345 TIP3 H1 -11.2724294112 4.1433120270 -5.6760724389 SOLV 342 0.0000000000 1059 345 TIP3 H2 -10.4332294112 5.0865020270 -4.8406024389 SOLV 342 0.0000000000 1060 346 TIP3 OH2 -5.7480194112 3.9525320270 -1.8936624389 SOLV 343 0.0000000000 1061 346 TIP3 H1 -5.3277094112 3.5372420270 -1.1406024389 SOLV 343 0.0000000000 1062 346 TIP3 H2 -6.6810594112 3.7738620270 -1.7764624389 SOLV 343 0.0000000000 1063 347 TIP3 OH2 -2.4215294112 7.7080520270 -1.0402124389 SOLV 344 0.0000000000 1064 347 TIP3 H1 -2.9355794112 7.5822720270 -0.2426124389 SOLV 344 0.0000000000 1065 347 TIP3 H2 -2.5770594112 8.6203620270 -1.2845924389 SOLV 344 0.0000000000 1066 348 TIP3 OH2 -1.6590394112 12.5690520270 -15.2789124389 SOLV 345 0.0000000000 1067 348 TIP3 H1 -1.6169594112 12.3464420270 -16.2089124389 SOLV 345 0.0000000000 1068 348 TIP3 H2 -0.8098294112 12.9677620270 -15.0889224389 SOLV 345 0.0000000000 1069 349 TIP3 OH2 -10.3197894112 9.1959420270 -4.1733424389 SOLV 346 0.0000000000 1070 349 TIP3 H1 -10.9615794112 9.1556720270 -3.4643324389 SOLV 346 0.0000000000 1071 349 TIP3 H2 -10.2825894112 10.1224120270 -4.4110424389 SOLV 346 0.0000000000 1072 350 TIP3 OH2 -10.3228794112 9.4169520270 -9.2613424389 SOLV 347 0.0000000000 1073 350 TIP3 H1 -11.2155894112 9.0765620270 -9.3199624389 SOLV 347 0.0000000000 1074 350 TIP3 H2 -9.8722194112 9.0400420270 -10.0170224389 SOLV 347 0.0000000000 1075 351 TIP3 OH2 -4.7873294112 9.8329820270 -10.4442624389 SOLV 348 0.0000000000 1076 351 TIP3 H1 -5.1962994112 10.6478420270 -10.7357824389 SOLV 348 0.0000000000 1077 351 TIP3 H2 -4.0667094112 9.6929920270 -11.0585524389 SOLV 348 0.0000000000 1078 352 TIP3 OH2 -5.6851694112 10.0086220270 1.0438075611 SOLV 349 0.0000000000 1079 352 TIP3 H1 -6.2477894112 9.3037820270 1.3645875611 SOLV 349 0.0000000000 1080 352 TIP3 H2 -4.8588294112 9.8878120270 1.5115675611 SOLV 349 0.0000000000 1081 353 TIP3 OH2 -3.7825594112 9.2790220270 -7.6302924389 SOLV 350 0.0000000000 1082 353 TIP3 H1 -3.9781094112 9.8847020270 -8.3452324389 SOLV 350 0.0000000000 1083 353 TIP3 H2 -3.6012994112 8.4455420270 -8.0646624389 SOLV 350 0.0000000000 1084 354 TIP3 OH2 -12.5697394112 9.5162920270 -2.3061424389 SOLV 351 0.0000000000 1085 354 TIP3 H1 -12.6077994112 9.9164520270 -1.4374324389 SOLV 351 0.0000000000 1086 354 TIP3 H2 -13.0606294112 8.6995320270 -2.2158524389 SOLV 351 0.0000000000 1087 355 TIP3 OH2 -9.2039994112 6.8905220270 -15.5075424389 SOLV 352 0.0000000000 1088 355 TIP3 H1 -9.6349294112 6.4455320270 -14.7778024389 SOLV 352 0.0000000000 1089 355 TIP3 H2 -9.9221294112 7.2621520270 -16.0197924389 SOLV 352 0.0000000000 1090 356 TIP3 OH2 -15.9616594112 6.6324720270 -8.4556724389 SOLV 353 0.0000000000 1091 356 TIP3 H1 -15.3308894112 6.6036820270 -7.7362824389 SOLV 353 0.0000000000 1092 356 TIP3 H2 -15.5122294112 6.2073420270 -9.1860824389 SOLV 353 0.0000000000 1093 357 TIP3 OH2 -14.6874494112 7.3786720270 -13.0316324389 SOLV 354 0.0000000000 1094 357 TIP3 H1 -14.2132794112 7.9696620270 -13.6165424389 SOLV 354 0.0000000000 1095 357 TIP3 H2 -15.4048094112 7.9089620270 -12.6846224389 SOLV 354 0.0000000000 1096 358 TIP3 OH2 -4.5186394112 10.9171520270 -2.9590524389 SOLV 355 0.0000000000 1097 358 TIP3 H1 -4.1951594112 10.2861220270 -3.6020024389 SOLV 355 0.0000000000 1098 358 TIP3 H2 -4.9587094112 10.3823720270 -2.2983124389 SOLV 355 0.0000000000 1099 359 TIP3 OH2 -7.7413494112 6.8447020270 -8.1749324389 SOLV 356 0.0000000000 1100 359 TIP3 H1 -8.6522394112 6.9013820270 -7.8863324389 SOLV 356 0.0000000000 1101 359 TIP3 H2 -7.2360594112 6.7842520270 -7.3642124389 SOLV 356 0.0000000000 1102 360 TIP3 OH2 -12.9130094112 8.4733320270 -9.3481724389 SOLV 357 0.0000000000 1103 360 TIP3 H1 -13.8022094112 8.5728820270 -9.6882124389 SOLV 357 0.0000000000 1104 360 TIP3 H2 -12.6165194112 7.6316320270 -9.6943824389 SOLV 357 0.0000000000 1105 361 TIP3 OH2 -9.2598294112 8.4735920270 -11.6917124389 SOLV 358 0.0000000000 1106 361 TIP3 H1 -8.3282794112 8.6025920270 -11.5134024389 SOLV 358 0.0000000000 1107 361 TIP3 H2 -9.4747994112 9.1430220270 -12.3412424389 SOLV 358 0.0000000000 1108 362 TIP3 OH2 -10.5858094112 9.6678120270 -14.1251024389 SOLV 359 0.0000000000 1109 362 TIP3 H1 -11.1282994112 9.2881920270 -14.8163424389 SOLV 359 0.0000000000 1110 362 TIP3 H2 -9.7523194112 9.8622820270 -14.5536924389 SOLV 359 0.0000000000 1111 363 TIP3 OH2 -6.4213794112 9.6320020270 -6.2879724389 SOLV 360 0.0000000000 1112 363 TIP3 H1 -5.8570394112 9.0856620270 -6.8350124389 SOLV 360 0.0000000000 1113 363 TIP3 H2 -6.5690394112 9.1101920270 -5.4992124389 SOLV 360 0.0000000000 1114 364 TIP3 OH2 -11.4194094112 5.7686120270 -9.8694924389 SOLV 361 0.0000000000 1115 364 TIP3 H1 -11.7364594112 4.8661420270 -9.9049524389 SOLV 361 0.0000000000 1116 364 TIP3 H2 -10.6379994112 5.7703520270 -10.4223324389 SOLV 361 0.0000000000 1117 365 TIP3 OH2 -7.7947894112 8.0206120270 -3.8739324389 SOLV 362 0.0000000000 1118 365 TIP3 H1 -8.6302594112 8.4745620270 -3.7636924389 SOLV 362 0.0000000000 1119 365 TIP3 H2 -7.2707294112 8.2964620270 -3.1219424389 SOLV 362 0.0000000000 1120 366 TIP3 OH2 -0.1006394112 13.3662020270 -3.4025324389 SOLV 363 0.0000000000 1121 366 TIP3 H1 0.5412405888 13.8228320270 -3.9463124389 SOLV 363 0.0000000000 1122 366 TIP3 H2 -0.9309494112 13.4794420270 -3.8651224389 SOLV 363 0.0000000000 1123 367 TIP3 OH2 -2.6344994112 8.9146420270 -12.3292924389 SOLV 364 0.0000000000 1124 367 TIP3 H1 -1.7425994112 8.7771420270 -12.0101724389 SOLV 364 0.0000000000 1125 367 TIP3 H2 -2.5781394112 9.7052520270 -12.8659424389 SOLV 364 0.0000000000 1126 368 TIP3 OH2 -12.1256994112 13.5283820270 -6.4195024389 SOLV 365 0.0000000000 1127 368 TIP3 H1 -11.3809794112 13.5259520270 -7.0208524389 SOLV 365 0.0000000000 1128 368 TIP3 H2 -12.0480394112 12.7047620270 -5.9379924389 SOLV 365 0.0000000000 1129 369 TIP3 OH2 -15.1177294112 11.9890720270 -1.1046524389 SOLV 366 0.0000000000 1130 369 TIP3 H1 -14.8948694112 11.5710320270 -0.2729024389 SOLV 366 0.0000000000 1131 369 TIP3 H2 -15.7197194112 11.3765720270 -1.5273724389 SOLV 366 0.0000000000 1132 370 TIP3 OH2 2.2503705888 9.1240520270 -12.6346224389 SOLV 367 0.0000000000 1133 370 TIP3 H1 1.6960005888 8.7278520270 -13.3068724389 SOLV 367 0.0000000000 1134 370 TIP3 H2 2.3507305888 10.0345720270 -12.9122924389 SOLV 367 0.0000000000 1135 371 TIP3 OH2 2.2135705888 14.9242220270 0.2025275611 SOLV 368 0.0000000000 1136 371 TIP3 H1 1.3624205888 15.1626020270 -0.1648324389 SOLV 368 0.0000000000 1137 371 TIP3 H2 2.8039105888 14.9075420270 -0.5507624389 SOLV 368 0.0000000000 1138 372 TIP3 OH2 -2.2940694112 12.7180420270 -5.1482224389 SOLV 369 0.0000000000 1139 372 TIP3 H1 -3.2223794112 12.4862320270 -5.1752924389 SOLV 369 0.0000000000 1140 372 TIP3 H2 -1.8429594112 11.9410220270 -5.4783424389 SOLV 369 0.0000000000 1141 373 TIP3 OH2 -13.9959894112 11.9086120270 -14.4281124389 SOLV 370 0.0000000000 1142 373 TIP3 H1 -13.3799994112 12.5353320270 -14.0486324389 SOLV 370 0.0000000000 1143 373 TIP3 H2 -14.8577294112 12.2245920270 -14.1564624389 SOLV 370 0.0000000000 1144 374 TIP3 OH2 -8.3235294112 14.7091920270 -9.4389224389 SOLV 371 0.0000000000 1145 374 TIP3 H1 -8.5645294112 15.6346320270 -9.3973924389 SOLV 371 0.0000000000 1146 374 TIP3 H2 -9.0641694112 14.2503220270 -9.0425324389 SOLV 371 0.0000000000 1147 375 TIP3 OH2 -4.2647894112 14.9576220270 -3.4232524389 SOLV 372 0.0000000000 1148 375 TIP3 H1 -4.6906594112 14.7297920270 -2.5968524389 SOLV 372 0.0000000000 1149 375 TIP3 H2 -3.6842094112 14.2188020270 -3.6057224389 SOLV 372 0.0000000000 1150 376 TIP3 OH2 -2.0618994112 15.8866720270 -14.3493524389 SOLV 373 0.0000000000 1151 376 TIP3 H1 -1.7085894112 15.5066520270 -13.5450024389 SOLV 373 0.0000000000 1152 376 TIP3 H2 -3.0105494112 15.7931520270 -14.2624224389 SOLV 373 0.0000000000 1153 377 TIP3 OH2 -13.4837794112 6.7423420270 -1.5465124389 SOLV 374 0.0000000000 1154 377 TIP3 H1 -14.3765494112 7.0808820270 -1.6141124389 SOLV 374 0.0000000000 1155 377 TIP3 H2 -13.5824994112 5.8869520270 -1.1284324389 SOLV 374 0.0000000000 1156 378 TIP3 OH2 -1.1959694112 14.5588720270 -12.1225624389 SOLV 375 0.0000000000 1157 378 TIP3 H1 -1.4732094112 13.8308020270 -11.5664524389 SOLV 375 0.0000000000 1158 378 TIP3 H2 -0.2686694112 14.6780720270 -11.9173024389 SOLV 375 0.0000000000 1159 379 TIP3 OH2 -12.5809494112 13.8209920270 -12.9355524389 SOLV 376 0.0000000000 1160 379 TIP3 H1 -13.2670194112 14.1732420270 -12.3685824389 SOLV 376 0.0000000000 1161 379 TIP3 H2 -12.0581594112 14.5839520270 -13.1821224389 SOLV 376 0.0000000000 1162 380 TIP3 OH2 -4.7494394112 6.4833720270 -2.6566524389 SOLV 377 0.0000000000 1163 380 TIP3 H1 -4.0506494112 6.5572420270 -2.0066824389 SOLV 377 0.0000000000 1164 380 TIP3 H2 -5.1302994112 5.6188720270 -2.5023624389 SOLV 377 0.0000000000 1165 381 TIP3 OH2 -6.7649594112 7.8634220270 -10.7245824389 SOLV 378 0.0000000000 1166 381 TIP3 H1 -5.9526994112 8.3677420270 -10.6784124389 SOLV 378 0.0000000000 1167 381 TIP3 H2 -7.0096594112 7.7183920270 -9.8106224389 SOLV 378 0.0000000000 1168 382 TIP3 OH2 -6.2293194112 8.8496920270 -1.5399224389 SOLV 379 0.0000000000 1169 382 TIP3 H1 -6.1102894112 9.4232320270 -0.7828824389 SOLV 379 0.0000000000 1170 382 TIP3 H2 -5.5738594112 8.1616320270 -1.4251424389 SOLV 379 0.0000000000 1171 383 TIP3 OH2 -5.8812894112 4.9447220270 -9.7864724389 SOLV 380 0.0000000000 1172 383 TIP3 H1 -6.2279394112 5.5617820270 -9.1420424389 SOLV 380 0.0000000000 1173 383 TIP3 H2 -5.2225994112 5.4452920270 -10.2679224389 SOLV 380 0.0000000000 1174 384 TIP3 OH2 -10.2235894112 6.0076620270 -13.0992224389 SOLV 381 0.0000000000 1175 384 TIP3 H1 -10.3071094112 6.8959720270 -12.7525824389 SOLV 381 0.0000000000 1176 384 TIP3 H2 -9.3335594112 5.7423320270 -12.8675424389 SOLV 381 0.0000000000 1177 385 TIP3 OH2 -0.0247394112 6.7567220270 -0.7049524389 SOLV 382 0.0000000000 1178 385 TIP3 H1 -0.9411594112 7.0188920270 -0.7925824389 SOLV 382 0.0000000000 1179 385 TIP3 H2 0.3107605888 6.7536220270 -1.6014224389 SOLV 382 0.0000000000 1180 386 TIP3 OH2 -1.4226394112 10.5068220270 -6.6092224389 SOLV 383 0.0000000000 1181 386 TIP3 H1 -2.2201994112 10.0918420270 -6.9377224389 SOLV 383 0.0000000000 1182 386 TIP3 H2 -0.9775294112 9.8161920270 -6.1181724389 SOLV 383 0.0000000000 1183 387 TIP3 OH2 -13.6491394112 9.0991820270 -14.9228324389 SOLV 384 0.0000000000 1184 387 TIP3 H1 -13.6938794112 10.0384920270 -14.7441324389 SOLV 384 0.0000000000 1185 387 TIP3 H2 -14.5368194112 8.8636720270 -15.1926224389 SOLV 384 0.0000000000 1186 388 TIP3 OH2 -12.8409394112 3.8808420270 -6.2497324389 SOLV 385 0.0000000000 1187 388 TIP3 H1 -13.0699594112 3.9400920270 -7.1772324389 SOLV 385 0.0000000000 1188 388 TIP3 H2 -13.2835994112 3.0893920270 -5.9433224389 SOLV 385 0.0000000000 1189 389 TIP3 OH2 -10.3739194112 14.5879020270 -15.6724624389 SOLV 386 0.0000000000 1190 389 TIP3 H1 -10.3095094112 13.7938620270 -15.1418224389 SOLV 386 0.0000000000 1191 389 TIP3 H2 -9.7209994112 14.4691820270 -16.3622624389 SOLV 386 0.0000000000 1192 390 TIP3 OH2 -8.0596794112 14.2141420270 1.6277175611 SOLV 387 0.0000000000 1193 390 TIP3 H1 -8.3882994112 14.4849520270 0.7704575611 SOLV 387 0.0000000000 1194 390 TIP3 H2 -7.9078594112 13.2731220270 1.5402175611 SOLV 387 0.0000000000 1195 391 TIP3 OH2 -5.0215794112 15.6350720270 -15.9366624389 SOLV 388 0.0000000000 1196 391 TIP3 H1 -5.2901694112 15.8152820270 -15.0357724389 SOLV 388 0.0000000000 1197 391 TIP3 H2 -5.2280194112 14.7096920270 -16.0680824389 SOLV 388 0.0000000000 1198 392 TIP3 OH2 -2.3251594112 14.1298720270 -0.9890524389 SOLV 389 0.0000000000 1199 392 TIP3 H1 -1.5796794112 14.7182420270 -1.1086524389 SOLV 389 0.0000000000 1200 392 TIP3 H2 -3.0824794112 14.7118420270 -0.9257424389 SOLV 389 0.0000000000 1201 393 TIP3 OH2 -13.8826394112 11.4446620270 1.6150075611 SOLV 390 0.0000000000 1202 393 TIP3 H1 -13.4745194112 10.5873220270 1.4940675611 SOLV 390 0.0000000000 1203 393 TIP3 H2 -14.1428794112 11.4587920270 2.5360375611 SOLV 390 0.0000000000 1204 394 TIP3 OH2 -9.2245394112 12.5605220270 -13.3666624389 SOLV 391 0.0000000000 1205 394 TIP3 H1 -9.6843394112 12.0763520270 -12.6808124389 SOLV 391 0.0000000000 1206 394 TIP3 H2 -8.9696694112 11.8920620270 -14.0026124389 SOLV 391 0.0000000000 1207 395 TIP3 OH2 -9.9356094112 10.4532320270 -1.0107024389 SOLV 392 0.0000000000 1208 395 TIP3 H1 -10.5539994112 11.1278920270 -0.7302324389 SOLV 392 0.0000000000 1209 395 TIP3 H2 -9.5914894112 10.7746220270 -1.8440824389 SOLV 392 0.0000000000 1210 396 TIP3 OH2 -8.1534994112 10.8037020270 -15.1043424389 SOLV 393 0.0000000000 1211 396 TIP3 H1 -8.3339994112 10.6488220270 -16.0315124389 SOLV 393 0.0000000000 1212 396 TIP3 H2 -7.2034494112 10.9115720270 -15.0595524389 SOLV 393 0.0000000000 1213 397 TIP3 OH2 -4.9157894112 12.9247620270 2.2667775611 SOLV 394 0.0000000000 1214 397 TIP3 H1 -3.9626694112 13.0086720270 2.2393775611 SOLV 394 0.0000000000 1215 397 TIP3 H2 -5.0763294112 12.2129420270 2.8862675611 SOLV 394 0.0000000000 1216 398 TIP3 OH2 -9.5962394112 7.8083120270 0.0716075611 SOLV 395 0.0000000000 1217 398 TIP3 H1 -9.4461494112 7.0794420270 -0.5304224389 SOLV 395 0.0000000000 1218 398 TIP3 H2 -9.5939994112 8.5854820270 -0.4871724389 SOLV 395 0.0000000000 1219 399 TIP3 OH2 -9.1836694112 6.1778920270 -2.4356524389 SOLV 396 0.0000000000 1220 399 TIP3 H1 -8.6479194112 6.6295620270 -3.0877224389 SOLV 396 0.0000000000 1221 399 TIP3 H2 -10.0357094112 6.0698720270 -2.8582424389 SOLV 396 0.0000000000 1222 400 TIP3 OH2 -3.1862094112 9.4326920270 2.8323975611 SOLV 397 0.0000000000 1223 400 TIP3 H1 -2.9940794112 8.5016320270 2.7208475611 SOLV 397 0.0000000000 1224 400 TIP3 H2 -2.3285794112 9.8576420270 2.8219375611 SOLV 397 0.0000000000 1225 401 TIP3 OH2 -1.8694894112 12.2212120270 0.9096675611 SOLV 398 0.0000000000 1226 401 TIP3 H1 -2.1509894112 12.9306720270 0.3320475611 SOLV 398 0.0000000000 1227 401 TIP3 H2 -0.9270594112 12.1485120270 0.7587875611 SOLV 398 0.0000000000 1228 402 TIP3 OH2 -11.1176094112 9.0066620270 1.9831675611 SOLV 399 0.0000000000 1229 402 TIP3 H1 -11.8847094112 8.4741420270 1.7729275611 SOLV 399 0.0000000000 1230 402 TIP3 H2 -10.4387094112 8.6967020270 1.3837975611 SOLV 399 0.0000000000 1231 403 TIP3 OH2 -8.3781194112 3.6344620270 -2.0042924389 SOLV 400 0.0000000000 1232 403 TIP3 H1 -8.4761594112 4.5807820270 -2.1096724389 SOLV 400 0.0000000000 1233 403 TIP3 H2 -9.1204994112 3.2618420270 -2.4799424389 SOLV 400 0.0000000000 1234 404 TIP3 OH2 -7.1140694112 7.9560020270 1.5595475611 SOLV 401 0.0000000000 1235 404 TIP3 H1 -7.3495294112 7.7366720270 2.4610375611 SOLV 401 0.0000000000 1236 404 TIP3 H2 -7.8973794112 7.7491220270 1.0497975611 SOLV 401 0.0000000000 1237 405 TIP3 OH2 -4.3984094112 7.0833520270 0.6348975611 SOLV 402 0.0000000000 1238 405 TIP3 H1 -5.3458694112 7.1153220270 0.7672275611 SOLV 402 0.0000000000 1239 405 TIP3 H2 -4.0857394112 6.4580620270 1.2887175611 SOLV 402 0.0000000000 1240 406 TIP3 OH2 -2.7642594112 5.7174620270 2.6400875611 SOLV 403 0.0000000000 1241 406 TIP3 H1 -2.8610794112 4.7651920270 2.6342775611 SOLV 403 0.0000000000 1242 406 TIP3 H2 -3.0859494112 5.9861420270 3.5006375611 SOLV 403 0.0000000000 1243 407 TIP3 OH2 -12.9373294112 6.9270420270 1.6876375611 SOLV 404 0.0000000000 1244 407 TIP3 H1 -12.7255894112 6.2206520270 1.0773875611 SOLV 404 0.0000000000 1245 407 TIP3 H2 -13.0485794112 6.4896420270 2.5317575611 SOLV 404 0.0000000000 1246 408 TIP3 OH2 -8.1563094112 2.9282020270 0.6669875611 SOLV 405 0.0000000000 1247 408 TIP3 H1 -7.4444694112 2.2884220270 0.6528975611 SOLV 405 0.0000000000 1248 408 TIP3 H2 -8.2572694112 3.1950320270 -0.2467024389 SOLV 405 0.0000000000 1249 409 TIP3 OH2 -7.8025594112 4.6110420270 2.7206175611 SOLV 406 0.0000000000 1250 409 TIP3 H1 -7.9343394112 4.1354220270 1.9004675611 SOLV 406 0.0000000000 1251 409 TIP3 H2 -8.4018194112 5.3554020270 2.6653275611 SOLV 406 0.0000000000 1252 410 TIP3 OH2 1.6946105888 14.0269320270 -11.6834924389 SOLV 407 0.0000000000 1253 410 TIP3 H1 2.5447505888 14.4480220270 -11.5563324389 SOLV 407 0.0000000000 1254 410 TIP3 H2 1.7001205888 13.2869420270 -11.0763524389 SOLV 407 0.0000000000 1255 411 TIP3 OH2 2.0891705888 12.0806720270 -9.8599224389 SOLV 408 0.0000000000 1256 411 TIP3 H1 1.3626305888 11.6009320270 -9.4621624389 SOLV 408 0.0000000000 1257 411 TIP3 H2 2.6705005888 12.2861420270 -9.1277624389 SOLV 408 0.0000000000 1258 412 TIP3 OH2 1.8482905888 14.8654220270 -4.9121624389 SOLV 409 0.0000000000 1259 412 TIP3 H1 2.6817105888 14.4874220270 -5.1928024389 SOLV 409 0.0000000000 1260 412 TIP3 H2 1.9603205888 15.8085420270 -5.0312524389 SOLV 409 0.0000000000 1261 413 TIP3 OH2 2.3574805888 11.9815220270 -13.4687924389 SOLV 410 0.0000000000 1262 413 TIP3 H1 1.8355905888 12.3379320270 -14.1877024389 SOLV 410 0.0000000000 1263 413 TIP3 H2 2.3244005888 12.6563020270 -12.7907024389 SOLV 410 0.0000000000 1264 414 TIP3 OH2 -0.1241494112 10.6013220270 -9.2970524389 SOLV 411 0.0000000000 1265 414 TIP3 H1 -0.2742694112 9.6561820270 -9.3172724389 SOLV 411 0.0000000000 1266 414 TIP3 H2 -0.4776994112 10.8824620270 -8.4531424389 SOLV 411 0.0000000000 1267 415 TIP3 OH2 -15.0889094112 12.6795420270 -5.2866724389 SOLV 412 0.0000000000 1268 415 TIP3 H1 -14.9046194112 12.5977120270 -6.2223824389 SOLV 412 0.0000000000 1269 415 TIP3 H2 -14.2396194112 12.5552420270 -4.8630324389 SOLV 412 0.0000000000 1270 416 TIP3 OH2 0.7321405888 12.5716520270 0.3417775611 SOLV 413 0.0000000000 1271 416 TIP3 H1 1.3148705888 11.8368820270 0.5334975611 SOLV 413 0.0000000000 1272 416 TIP3 H2 1.2960705888 13.3436820270 0.3883575611 SOLV 413 0.0000000000 1273 417 TIP3 OH2 2.2288505888 10.4742320270 1.0263175611 SOLV 414 0.0000000000 1274 417 TIP3 H1 1.3655205888 10.0954420270 0.8607875611 SOLV 414 0.0000000000 1275 417 TIP3 H2 2.8332205888 9.7357120270 0.9518975611 SOLV 414 0.0000000000 1276 418 TIP3 OH2 -0.4136694112 8.1839020270 -10.8345424389 SOLV 415 0.0000000000 1277 418 TIP3 H1 -0.1339594112 7.2769420270 -10.7103724389 SOLV 415 0.0000000000 1278 418 TIP3 H2 0.3455005888 8.6180520270 -11.2236224389 SOLV 415 0.0000000000 1279 419 TIP3 OH2 0.1981605888 8.7656420270 -5.3986524389 SOLV 416 0.0000000000 1280 419 TIP3 H1 1.1309605888 8.9776320270 -5.4330524389 SOLV 416 0.0000000000 1281 419 TIP3 H2 -0.0370894112 8.8668520270 -4.4763524389 SOLV 416 0.0000000000 1282 420 TIP3 OH2 0.2273505888 9.5021720270 -2.6227124389 SOLV 417 0.0000000000 1283 420 TIP3 H1 -0.6155194112 9.7702120270 -2.2567324389 SOLV 417 0.0000000000 1284 420 TIP3 H2 0.6697805888 10.3243620270 -2.8336024389 SOLV 417 0.0000000000 1285 421 TIP3 OH2 -15.4914294112 7.9500420270 0.8542075611 SOLV 418 0.0000000000 1286 421 TIP3 H1 -14.5719394112 7.8278720270 1.0905175611 SOLV 418 0.0000000000 1287 421 TIP3 H2 -15.9409794112 7.2000120270 1.2435575611 SOLV 418 0.0000000000 1288 422 TIP3 OH2 2.5105105888 3.4821920270 2.7307875611 SOLV 419 0.0000000000 1289 422 TIP3 H1 2.8602105888 2.8285420270 2.1252575611 SOLV 419 0.0000000000 1290 422 TIP3 H2 2.6574605888 4.3196020270 2.2910475611 SOLV 419 0.0000000000 1291 423 TIP3 OH2 0.1998105888 5.4468320270 -10.7863424389 SOLV 420 0.0000000000 1292 423 TIP3 H1 0.3823105888 4.9979820270 -9.9608424389 SOLV 420 0.0000000000 1293 423 TIP3 H2 -0.3998994112 4.8622720270 -11.2498824389 SOLV 420 0.0000000000 1294 424 TIP3 OH2 -14.2701794112 6.2622020270 -6.2545024389 SOLV 421 0.0000000000 1295 424 TIP3 H1 -13.8250194112 5.4704520270 -5.9525324389 SOLV 421 0.0000000000 1296 424 TIP3 H2 -13.8038794112 6.9787220270 -5.8239424389 SOLV 421 0.0000000000 1297 425 TIP3 OH2 -15.9661494112 9.2615020270 -5.1854824389 SOLV 422 0.0000000000 1298 425 TIP3 H1 -15.4741694112 9.0405520270 -5.9762824389 SOLV 422 0.0000000000 1299 425 TIP3 H2 -15.6040594112 10.1018420270 -4.9045324389 SOLV 422 0.0000000000 1300 426 TIP3 OH2 2.0302305888 5.5916520270 1.0799175611 SOLV 423 0.0000000000 1301 426 TIP3 H1 1.1128005888 5.8623620270 1.0442675611 SOLV 423 0.0000000000 1302 426 TIP3 H2 2.1531705888 5.0564920270 0.2958875611 SOLV 423 0.0000000000 1303 427 TIP3 OH2 2.0664305888 5.5146420270 -14.2583124389 SOLV 424 0.0000000000 1304 427 TIP3 H1 2.4786905888 4.7932120270 -14.7335124389 SOLV 424 0.0000000000 1305 427 TIP3 H2 2.7480805888 6.1841020270 -14.1998824389 SOLV 424 0.0000000000 1306 428 TIP3 OH2 -15.6524994112 5.5194120270 -11.1312424389 SOLV 425 0.0000000000 1307 428 TIP3 H1 -16.5776594112 5.7280720270 -11.2606924389 SOLV 425 0.0000000000 1308 428 TIP3 H2 -15.1985094112 6.0034920270 -11.8210124389 SOLV 425 0.0000000000 1309 429 TIP3 OH2 -0.3966094112 3.2377420270 -6.6654724389 SOLV 426 0.0000000000 1310 429 TIP3 H1 0.2071505888 3.7852820270 -7.1673724389 SOLV 426 0.0000000000 1311 429 TIP3 H2 -1.2664094112 3.5567820270 -6.9060624389 SOLV 426 0.0000000000 1312 430 TIP3 OH2 1.3304305888 4.3766120270 -8.3323824389 SOLV 427 0.0000000000 1313 430 TIP3 H1 1.9421805888 3.8621820270 -8.8590224389 SOLV 427 0.0000000000 1314 430 TIP3 H2 1.7127705888 5.2538220270 -8.3089424389 SOLV 427 0.0000000000 1315 431 TIP3 OH2 -13.2125794112 3.7643720270 -8.9561924389 SOLV 428 0.0000000000 1316 431 TIP3 H1 -13.9895994112 3.5298620270 -9.4636024389 SOLV 428 0.0000000000 1317 431 TIP3 H2 -12.6822194112 2.9675820270 -8.9473924389 SOLV 428 0.0000000000 1318 432 TIP3 OH2 -14.3762394112 3.5621820270 -13.1525824389 SOLV 429 0.0000000000 1319 432 TIP3 H1 -13.9371694112 4.1732320270 -13.7442324389 SOLV 429 0.0000000000 1320 432 TIP3 H2 -15.0099994112 4.1005920270 -12.6785824389 SOLV 429 0.0000000000 1321 433 TIP3 OH2 -8.6333194112 3.6910820270 -9.1428824389 SOLV 430 0.0000000000 1322 433 TIP3 H1 -7.7589794112 4.0795120270 -9.1724524389 SOLV 430 0.0000000000 1323 433 TIP3 H2 -8.7692394112 3.4758620270 -8.2201624389 SOLV 430 0.0000000000 1324 434 TIP3 OH2 -3.0764794112 3.7210620270 -7.4937124389 SOLV 431 0.0000000000 1325 434 TIP3 H1 -3.0003194112 3.8162220270 -8.4431124389 SOLV 431 0.0000000000 1326 434 TIP3 H2 -3.3515594112 2.8133520270 -7.3648024389 SOLV 431 0.0000000000 1327 435 TIP3 OH2 -1.7232194112 3.7468420270 -11.8012124389 SOLV 432 0.0000000000 1328 435 TIP3 H1 -2.4261094112 4.3617620270 -12.0110724389 SOLV 432 0.0000000000 1329 435 TIP3 H2 -2.1680794112 2.9095120270 -11.6701224389 SOLV 432 0.0000000000 1330 436 TIP3 OH2 -12.5153294112 5.4783320270 -14.7101724389 SOLV 433 0.0000000000 1331 436 TIP3 H1 -12.0239894112 4.8485720270 -15.2376224389 SOLV 433 0.0000000000 1332 436 TIP3 H2 -11.8916994112 5.7742720270 -14.0470524389 SOLV 433 0.0000000000 1333 437 TIP3 OH2 -13.2547794112 4.2785620270 0.5614275611 SOLV 434 0.0000000000 1334 437 TIP3 H1 -13.6209594112 3.5128220270 1.0038975611 SOLV 434 0.0000000000 1335 437 TIP3 H2 -12.3419294112 4.3075820270 0.8479375611 SOLV 434 0.0000000000 1336 438 TIP3 OH2 -11.2816994112 3.6290020270 2.0971375611 SOLV 435 0.0000000000 1337 438 TIP3 H1 -10.3833394112 3.3550220270 1.9124775611 SOLV 435 0.0000000000 1338 438 TIP3 H2 -11.6683894112 2.8866020270 2.5613975611 SOLV 435 0.0000000000 1339 439 TIP3 OH2 14.7216805888 12.9206020270 -8.9974424389 SOLV 436 0.0000000000 1340 439 TIP3 H1 14.8107905888 13.8644220270 -9.1297324389 SOLV 436 0.0000000000 1341 439 TIP3 H2 14.0834405888 12.6452420270 -9.6555024389 SOLV 436 0.0000000000 1342 440 TIP3 OH2 13.6548105888 12.1756720270 -5.5786224389 SOLV 437 0.0000000000 1343 440 TIP3 H1 13.6165605888 11.5293020270 -4.8736624389 SOLV 437 0.0000000000 1344 440 TIP3 H2 13.3324605888 11.7091120270 -6.3497524389 SOLV 437 0.0000000000 1345 441 TIP3 OH2 6.0233105888 11.7898820270 -3.9856324389 SOLV 438 0.0000000000 1346 441 TIP3 H1 6.0645205888 11.1642120270 -3.2623924389 SOLV 438 0.0000000000 1347 441 TIP3 H2 6.7260805888 12.4137420270 -3.8035924389 SOLV 438 0.0000000000 1348 442 TIP3 OH2 3.5566705888 9.9000320270 -10.0578424389 SOLV 439 0.0000000000 1349 442 TIP3 H1 3.1090105888 10.7459020270 -10.0761924389 SOLV 439 0.0000000000 1350 442 TIP3 H2 2.9957905888 9.3204520270 -10.5733324389 SOLV 439 0.0000000000 1351 443 TIP3 OH2 4.2672805888 12.0619920270 -7.9320424389 SOLV 440 0.0000000000 1352 443 TIP3 H1 4.4806305888 11.2921520270 -7.4047424389 SOLV 440 0.0000000000 1353 443 TIP3 H2 5.0050405888 12.1516620270 -8.5352824389 SOLV 440 0.0000000000 1354 444 TIP3 OH2 8.3397805888 7.1036920270 -7.5725624389 SOLV 441 0.0000000000 1355 444 TIP3 H1 8.3828905888 7.9635420270 -7.9909324389 SOLV 441 0.0000000000 1356 444 TIP3 H2 7.8821905888 6.5511620270 -8.2062424389 SOLV 441 0.0000000000 1357 445 TIP3 OH2 4.9599305888 9.5002720270 -6.8104224389 SOLV 442 0.0000000000 1358 445 TIP3 H1 5.6135905888 8.9504420270 -6.3784124389 SOLV 442 0.0000000000 1359 445 TIP3 H2 4.9838605888 9.2261720270 -7.7272224389 SOLV 442 0.0000000000 1360 446 TIP3 OH2 10.1163805888 11.0504020270 -7.5952724389 SOLV 443 0.0000000000 1361 446 TIP3 H1 10.7324805888 10.5239420270 -7.0858724389 SOLV 443 0.0000000000 1362 446 TIP3 H2 9.5302605888 10.4102720270 -7.9989124389 SOLV 443 0.0000000000 1363 447 TIP3 OH2 7.1499705888 6.0215320270 -3.4984824389 SOLV 444 0.0000000000 1364 447 TIP3 H1 6.9311405888 6.5515920270 -4.2648824389 SOLV 444 0.0000000000 1365 447 TIP3 H2 6.4820605888 6.2480820270 -2.8513424389 SOLV 444 0.0000000000 1366 448 TIP3 OH2 14.5189505888 15.5216420270 -9.9545724389 SOLV 445 0.0000000000 1367 448 TIP3 H1 14.2234605888 15.1988720270 -10.8058824389 SOLV 445 0.0000000000 1368 448 TIP3 H2 14.1947305888 16.4213120270 -9.9133124389 SOLV 445 0.0000000000 1369 449 TIP3 OH2 9.7191105888 13.6971020270 -3.2111124389 SOLV 446 0.0000000000 1370 449 TIP3 H1 8.9790205888 14.2952520270 -3.1075924389 SOLV 446 0.0000000000 1371 449 TIP3 H2 10.4330605888 14.2510620270 -3.5267524389 SOLV 446 0.0000000000 1372 450 TIP3 OH2 6.7437005888 7.9137120270 -5.5462624389 SOLV 447 0.0000000000 1373 450 TIP3 H1 7.3573305888 8.5464720270 -5.1730224389 SOLV 447 0.0000000000 1374 450 TIP3 H2 7.2557705888 7.4412120270 -6.2025724389 SOLV 447 0.0000000000 1375 451 TIP3 OH2 4.2476305888 15.3321920270 -11.6420324389 SOLV 448 0.0000000000 1376 451 TIP3 H1 3.9757205888 15.5612920270 -12.5307424389 SOLV 448 0.0000000000 1377 451 TIP3 H2 4.2932005888 16.1700720270 -11.1815024389 SOLV 448 0.0000000000 1378 452 TIP3 OH2 11.1764405888 3.3270420270 -6.0459924389 SOLV 449 0.0000000000 1379 452 TIP3 H1 11.0588605888 2.3786420270 -6.1001624389 SOLV 449 0.0000000000 1380 452 TIP3 H2 10.3214505888 3.6596520270 -5.7728824389 SOLV 449 0.0000000000 1381 453 TIP3 OH2 13.4429305888 12.1646020270 -11.5454124389 SOLV 450 0.0000000000 1382 453 TIP3 H1 12.7314805888 12.6995720270 -11.8973624389 SOLV 450 0.0000000000 1383 453 TIP3 H2 14.1338905888 12.2198120270 -12.2055224389 SOLV 450 0.0000000000 1384 454 TIP3 OH2 13.4968505888 10.6220320270 -14.5069124389 SOLV 451 0.0000000000 1385 454 TIP3 H1 14.1978405888 10.6447220270 -13.8555124389 SOLV 451 0.0000000000 1386 454 TIP3 H2 13.7991405888 9.9940020270 -15.1629824389 SOLV 451 0.0000000000 1387 455 TIP3 OH2 8.4940705888 13.0045520270 -8.7113224389 SOLV 452 0.0000000000 1388 455 TIP3 H1 8.1635905888 12.6338920270 -9.5296224389 SOLV 452 0.0000000000 1389 455 TIP3 H2 9.0824805888 12.3339520270 -8.3644924389 SOLV 452 0.0000000000 1390 456 TIP3 OH2 8.8606205888 11.7731120270 -5.0778224389 SOLV 453 0.0000000000 1391 456 TIP3 H1 9.4258705888 11.8945320270 -5.8407024389 SOLV 453 0.0000000000 1392 456 TIP3 H2 9.1795105888 12.4106120270 -4.4389724389 SOLV 453 0.0000000000 1393 457 TIP3 OH2 6.6606805888 12.3704920270 -1.1320624389 SOLV 454 0.0000000000 1394 457 TIP3 H1 6.7310005888 13.0211720270 -0.4335624389 SOLV 454 0.0000000000 1395 457 TIP3 H2 5.7699005888 12.4732420270 -1.4669724389 SOLV 454 0.0000000000 1396 458 TIP3 OH2 7.4843405888 12.0739820270 -11.1220424389 SOLV 455 0.0000000000 1397 458 TIP3 H1 7.1924705888 12.8421520270 -11.6129124389 SOLV 455 0.0000000000 1398 458 TIP3 H2 6.8098605888 11.4146020270 -11.2849024389 SOLV 455 0.0000000000 1399 459 TIP3 OH2 3.5773505888 14.4369020270 -2.3070624389 SOLV 456 0.0000000000 1400 459 TIP3 H1 3.0761905888 14.4088420270 -3.1220924389 SOLV 456 0.0000000000 1401 459 TIP3 H2 3.5827205888 13.5312220270 -1.9973324389 SOLV 456 0.0000000000 1402 460 TIP3 OH2 5.8264005888 15.7604420270 -1.2637824389 SOLV 457 0.0000000000 1403 460 TIP3 H1 6.0425305888 15.3990020270 -0.4042024389 SOLV 457 0.0000000000 1404 460 TIP3 H2 4.9708705888 15.3858220270 -1.4734324389 SOLV 457 0.0000000000 1405 461 TIP3 OH2 8.4452005888 4.2304920270 -5.2683624389 SOLV 458 0.0000000000 1406 461 TIP3 H1 7.5835705888 4.1433120270 -5.6760724389 SOLV 458 0.0000000000 1407 461 TIP3 H2 8.4227705888 5.0865020270 -4.8406024389 SOLV 458 0.0000000000 1408 462 TIP3 OH2 13.1079805888 3.9525320270 -1.8936624389 SOLV 459 0.0000000000 1409 462 TIP3 H1 13.5282905888 3.5372420270 -1.1406024389 SOLV 459 0.0000000000 1410 462 TIP3 H2 12.1749405888 3.7738620270 -1.7764624389 SOLV 459 0.0000000000 1411 463 TIP3 OH2 12.7697105888 6.4448720270 -14.6085824389 SOLV 460 0.0000000000 1412 463 TIP3 H1 12.5161905888 6.4640320270 -13.6857724389 SOLV 460 0.0000000000 1413 463 TIP3 H2 12.5129205888 5.5734120270 -14.9099624389 SOLV 460 0.0000000000 1414 464 TIP3 OH2 8.5362105888 9.1959420270 -4.1733424389 SOLV 461 0.0000000000 1415 464 TIP3 H1 7.8944205888 9.1556720270 -3.4643324389 SOLV 461 0.0000000000 1416 464 TIP3 H2 8.5734105888 10.1224120270 -4.4110424389 SOLV 461 0.0000000000 1417 465 TIP3 OH2 8.5331205888 9.4169520270 -9.2613424389 SOLV 462 0.0000000000 1418 465 TIP3 H1 7.6404105888 9.0765620270 -9.3199624389 SOLV 462 0.0000000000 1419 465 TIP3 H2 8.9837805888 9.0400420270 -10.0170224389 SOLV 462 0.0000000000 1420 466 TIP3 OH2 14.0686705888 9.8329820270 -10.4442624389 SOLV 463 0.0000000000 1421 466 TIP3 H1 13.6597005888 10.6478420270 -10.7357824389 SOLV 463 0.0000000000 1422 466 TIP3 H2 14.7892905888 9.6929920270 -11.0585524389 SOLV 463 0.0000000000 1423 467 TIP3 OH2 15.0734405888 9.2790220270 -7.6302924389 SOLV 464 0.0000000000 1424 467 TIP3 H1 14.8778905888 9.8847020270 -8.3452324389 SOLV 464 0.0000000000 1425 467 TIP3 H2 15.2547005888 8.4455420270 -8.0646624389 SOLV 464 0.0000000000 1426 468 TIP3 OH2 6.2862605888 9.5162920270 -2.3061424389 SOLV 465 0.0000000000 1427 468 TIP3 H1 6.2482005888 9.9164520270 -1.4374324389 SOLV 465 0.0000000000 1428 468 TIP3 H2 5.7953705888 8.6995320270 -2.2158524389 SOLV 465 0.0000000000 1429 469 TIP3 OH2 9.6520005888 6.8905220270 -15.5075424389 SOLV 466 0.0000000000 1430 469 TIP3 H1 9.2210705888 6.4455320270 -14.7778024389 SOLV 466 0.0000000000 1431 469 TIP3 H2 8.9338705888 7.2621520270 -16.0197924389 SOLV 466 0.0000000000 1432 470 TIP3 OH2 2.8943405888 6.6324720270 -8.4556724389 SOLV 467 0.0000000000 1433 470 TIP3 H1 3.5251105888 6.6036820270 -7.7362824389 SOLV 467 0.0000000000 1434 470 TIP3 H2 3.3437705888 6.2073420270 -9.1860824389 SOLV 467 0.0000000000 1435 471 TIP3 OH2 4.1685505888 7.3786720270 -13.0316324389 SOLV 468 0.0000000000 1436 471 TIP3 H1 4.6427205888 7.9696620270 -13.6165424389 SOLV 468 0.0000000000 1437 471 TIP3 H2 3.4511905888 7.9089620270 -12.6846224389 SOLV 468 0.0000000000 1438 472 TIP3 OH2 14.3373605888 10.9171520270 -2.9590524389 SOLV 469 0.0000000000 1439 472 TIP3 H1 14.6608405888 10.2861220270 -3.6020024389 SOLV 469 0.0000000000 1440 472 TIP3 H2 13.8972905888 10.3823720270 -2.2983124389 SOLV 469 0.0000000000 1441 473 TIP3 OH2 11.1146505888 6.8447020270 -8.1749324389 SOLV 470 0.0000000000 1442 473 TIP3 H1 10.2037605888 6.9013820270 -7.8863324389 SOLV 470 0.0000000000 1443 473 TIP3 H2 11.6199405888 6.7842520270 -7.3642124389 SOLV 470 0.0000000000 1444 474 TIP3 OH2 5.9429905888 8.4733320270 -9.3481724389 SOLV 471 0.0000000000 1445 474 TIP3 H1 5.0537905888 8.5728820270 -9.6882124389 SOLV 471 0.0000000000 1446 474 TIP3 H2 6.2394805888 7.6316320270 -9.6943824389 SOLV 471 0.0000000000 1447 475 TIP3 OH2 9.5961705888 8.4735920270 -11.6917124389 SOLV 472 0.0000000000 1448 475 TIP3 H1 10.5277205888 8.6025920270 -11.5134024389 SOLV 472 0.0000000000 1449 475 TIP3 H2 9.3812005888 9.1430220270 -12.3412424389 SOLV 472 0.0000000000 1450 476 TIP3 OH2 15.5198405888 6.0793320270 -4.9107524389 SOLV 473 0.0000000000 1451 476 TIP3 H1 14.8430005888 6.2106420270 -4.2467824389 SOLV 473 0.0000000000 1452 476 TIP3 H2 15.0343305888 5.9242820270 -5.7209824389 SOLV 473 0.0000000000 1453 477 TIP3 OH2 8.2701905888 9.6678120270 -14.1251024389 SOLV 474 0.0000000000 1454 477 TIP3 H1 7.7277005888 9.2881920270 -14.8163424389 SOLV 474 0.0000000000 1455 477 TIP3 H2 9.1036805888 9.8622820270 -14.5536924389 SOLV 474 0.0000000000 1456 478 TIP3 OH2 6.4053305888 14.2250020270 0.9740575611 SOLV 475 0.0000000000 1457 478 TIP3 H1 7.1375705888 14.4795920270 1.5355075611 SOLV 475 0.0000000000 1458 478 TIP3 H2 5.6252005888 14.4295420270 1.4895975611 SOLV 475 0.0000000000 1459 479 TIP3 OH2 12.4346205888 9.6320020270 -6.2879724389 SOLV 476 0.0000000000 1460 479 TIP3 H1 12.9989605888 9.0856620270 -6.8350124389 SOLV 476 0.0000000000 1461 479 TIP3 H2 12.2869605888 9.1101920270 -5.4992124389 SOLV 476 0.0000000000 1462 480 TIP3 OH2 7.4365905888 5.7686120270 -9.8694924389 SOLV 477 0.0000000000 1463 480 TIP3 H1 7.1195405888 4.8661420270 -9.9049524389 SOLV 477 0.0000000000 1464 480 TIP3 H2 8.2180005888 5.7703520270 -10.4223324389 SOLV 477 0.0000000000 1465 481 TIP3 OH2 11.0612105888 8.0206120270 -3.8739324389 SOLV 478 0.0000000000 1466 481 TIP3 H1 10.2257405888 8.4745620270 -3.7636924389 SOLV 478 0.0000000000 1467 481 TIP3 H2 11.5852705888 8.2964620270 -3.1219424389 SOLV 478 0.0000000000 1468 482 TIP3 OH2 11.6054705888 14.2333820270 -12.1892924389 SOLV 479 0.0000000000 1469 482 TIP3 H1 10.8605705888 13.7259120270 -12.5115024389 SOLV 479 0.0000000000 1470 482 TIP3 H2 11.4711905888 14.2821820270 -11.2428124389 SOLV 479 0.0000000000 1471 483 TIP3 OH2 15.5031505888 7.0473720270 -13.9900324389 SOLV 480 0.0000000000 1472 483 TIP3 H1 14.5645705888 7.1589320270 -14.1411524389 SOLV 480 0.0000000000 1473 483 TIP3 H2 15.8003605888 7.9040620270 -13.6834624389 SOLV 480 0.0000000000 1474 484 TIP3 OH2 6.7303005888 13.5283820270 -6.4195024389 SOLV 481 0.0000000000 1475 484 TIP3 H1 7.4750205888 13.5259520270 -7.0208524389 SOLV 481 0.0000000000 1476 484 TIP3 H2 6.8079605888 12.7047620270 -5.9379924389 SOLV 481 0.0000000000 1477 485 TIP3 OH2 13.7308805888 15.6918120270 -13.1638324389 SOLV 482 0.0000000000 1478 485 TIP3 H1 13.4357205888 16.5186020270 -12.7823524389 SOLV 482 0.0000000000 1479 485 TIP3 H2 13.0278805888 15.0725020270 -12.9676924389 SOLV 482 0.0000000000 1480 486 TIP3 OH2 3.7382705888 11.9890720270 -1.1046524389 SOLV 483 0.0000000000 1481 486 TIP3 H1 3.9611305888 11.5710320270 -0.2729024389 SOLV 483 0.0000000000 1482 486 TIP3 H2 3.1362805888 11.3765720270 -1.5273724389 SOLV 483 0.0000000000 1483 487 TIP3 OH2 10.7547605888 11.5060620270 1.1083175611 SOLV 484 0.0000000000 1484 487 TIP3 H1 10.4588405888 11.3403620270 0.2132275611 SOLV 484 0.0000000000 1485 487 TIP3 H2 11.6862805888 11.2860920270 1.0977075611 SOLV 484 0.0000000000 1486 488 TIP3 OH2 4.8600105888 11.9086120270 -14.4281124389 SOLV 485 0.0000000000 1487 488 TIP3 H1 5.4760005888 12.5353320270 -14.0486324389 SOLV 485 0.0000000000 1488 488 TIP3 H2 3.9982705888 12.2245920270 -14.1564624389 SOLV 485 0.0000000000 1489 489 TIP3 OH2 5.3722205888 6.7423420270 -1.5465124389 SOLV 486 0.0000000000 1490 489 TIP3 H1 4.4794505888 7.0808820270 -1.6141124389 SOLV 486 0.0000000000 1491 489 TIP3 H2 5.2735005888 5.8869520270 -1.1284324389 SOLV 486 0.0000000000 1492 490 TIP3 OH2 6.2750505888 13.8209920270 -12.9355524389 SOLV 487 0.0000000000 1493 490 TIP3 H1 5.5889805888 14.1732420270 -12.3685824389 SOLV 487 0.0000000000 1494 490 TIP3 H2 6.7978405888 14.5839520270 -13.1821224389 SOLV 487 0.0000000000 1495 491 TIP3 OH2 14.1065605888 6.4833720270 -2.6566524389 SOLV 488 0.0000000000 1496 491 TIP3 H1 14.8053505888 6.5572420270 -2.0066824389 SOLV 488 0.0000000000 1497 491 TIP3 H2 13.7257005888 5.6188720270 -2.5023624389 SOLV 488 0.0000000000 1498 492 TIP3 OH2 14.8910505888 6.1355420270 -11.5594224389 SOLV 489 0.0000000000 1499 492 TIP3 H1 15.1108805888 6.6070820270 -12.3628824389 SOLV 489 0.0000000000 1500 492 TIP3 H2 15.4494505888 6.5298020270 -10.8893624389 SOLV 489 0.0000000000 1501 493 TIP3 OH2 12.0910405888 7.8634220270 -10.7245824389 SOLV 490 0.0000000000 1502 493 TIP3 H1 12.9033005888 8.3677420270 -10.6784124389 SOLV 490 0.0000000000 1503 493 TIP3 H2 11.8463405888 7.7183920270 -9.8106224389 SOLV 490 0.0000000000 1504 494 TIP3 OH2 12.9747105888 4.9447220270 -9.7864724389 SOLV 491 0.0000000000 1505 494 TIP3 H1 12.6280605888 5.5617820270 -9.1420424389 SOLV 491 0.0000000000 1506 494 TIP3 H2 13.6334005888 5.4452920270 -10.2679224389 SOLV 491 0.0000000000 1507 495 TIP3 OH2 8.6324105888 6.0076620270 -13.0992224389 SOLV 492 0.0000000000 1508 495 TIP3 H1 8.5488905888 6.8959720270 -12.7525824389 SOLV 492 0.0000000000 1509 495 TIP3 H2 9.5224405888 5.7423320270 -12.8675424389 SOLV 492 0.0000000000 1510 496 TIP3 OH2 5.2068605888 9.0991820270 -14.9228324389 SOLV 493 0.0000000000 1511 496 TIP3 H1 5.1621205888 10.0384920270 -14.7441324389 SOLV 493 0.0000000000 1512 496 TIP3 H2 4.3191805888 8.8636720270 -15.1926224389 SOLV 493 0.0000000000 1513 497 TIP3 OH2 6.0150605888 3.8808420270 -6.2497324389 SOLV 494 0.0000000000 1514 497 TIP3 H1 5.7860405888 3.9400920270 -7.1772324389 SOLV 494 0.0000000000 1515 497 TIP3 H2 5.5724005888 3.0893920270 -5.9433224389 SOLV 494 0.0000000000 1516 498 TIP3 OH2 4.1407105888 14.2443320270 2.1950775611 SOLV 495 0.0000000000 1517 498 TIP3 H1 4.2847605888 13.3424020270 1.9087475611 SOLV 495 0.0000000000 1518 498 TIP3 H2 3.3684505888 14.5305420270 1.7073075611 SOLV 495 0.0000000000 1519 499 TIP3 OH2 8.4820805888 14.5879020270 -15.6724624389 SOLV 496 0.0000000000 1520 499 TIP3 H1 8.5464905888 13.7938620270 -15.1418224389 SOLV 496 0.0000000000 1521 499 TIP3 H2 9.1350005888 14.4691820270 -16.3622624389 SOLV 496 0.0000000000 1522 500 TIP3 OH2 10.7963205888 14.2141420270 1.6277175611 SOLV 497 0.0000000000 1523 500 TIP3 H1 10.4677005888 14.4849520270 0.7704575611 SOLV 497 0.0000000000 1524 500 TIP3 H2 10.9481405888 13.2731220270 1.5402175611 SOLV 497 0.0000000000 1525 501 TIP3 OH2 13.8344205888 15.6350720270 -15.9366624389 SOLV 498 0.0000000000 1526 501 TIP3 H1 13.5658305888 15.8152820270 -15.0357724389 SOLV 498 0.0000000000 1527 501 TIP3 H2 13.6279805888 14.7096920270 -16.0680824389 SOLV 498 0.0000000000 1528 502 TIP3 OH2 4.9733605888 11.4446620270 1.6150075611 SOLV 499 0.0000000000 1529 502 TIP3 H1 5.3814805888 10.5873220270 1.4940675611 SOLV 499 0.0000000000 1530 502 TIP3 H2 4.7131205888 11.4587920270 2.5360375611 SOLV 499 0.0000000000 1531 503 TIP3 OH2 9.6314605888 12.5605220270 -13.3666624389 SOLV 500 0.0000000000 1532 503 TIP3 H1 9.1716605888 12.0763520270 -12.6808124389 SOLV 500 0.0000000000 1533 503 TIP3 H2 9.8863305888 11.8920620270 -14.0026124389 SOLV 500 0.0000000000 1534 504 TIP3 OH2 8.9203905888 10.4532320270 -1.0107024389 SOLV 501 0.0000000000 1535 504 TIP3 H1 8.3020005888 11.1278920270 -0.7302324389 SOLV 501 0.0000000000 1536 504 TIP3 H2 9.2645105888 10.7746220270 -1.8440824389 SOLV 501 0.0000000000 1537 505 TIP3 OH2 10.7025005888 10.8037020270 -15.1043424389 SOLV 502 0.0000000000 1538 505 TIP3 H1 10.5220005888 10.6488220270 -16.0315124389 SOLV 502 0.0000000000 1539 505 TIP3 H2 11.6525505888 10.9115720270 -15.0595524389 SOLV 502 0.0000000000 1540 506 TIP3 OH2 13.9402105888 12.9247620270 2.2667775611 SOLV 503 0.0000000000 1541 506 TIP3 H1 14.8933305888 13.0086720270 2.2393775611 SOLV 503 0.0000000000 1542 506 TIP3 H2 13.7796705888 12.2129420270 2.8862675611 SOLV 503 0.0000000000 1543 507 TIP3 OH2 9.6723305888 6.1778920270 -2.4356524389 SOLV 504 0.0000000000 1544 507 TIP3 H1 10.2080805888 6.6295620270 -3.0877224389 SOLV 504 0.0000000000 1545 507 TIP3 H2 8.8202905888 6.0698720270 -2.8582424389 SOLV 504 0.0000000000 1546 508 TIP3 OH2 11.2541705888 11.6175120270 -2.1961324389 SOLV 505 0.0000000000 1547 508 TIP3 H1 12.0046505888 11.4612620270 -2.7693524389 SOLV 505 0.0000000000 1548 508 TIP3 H2 10.9150005888 12.4691720270 -2.4715824389 SOLV 505 0.0000000000 1549 509 TIP3 OH2 7.7383905888 9.0066620270 1.9831675611 SOLV 506 0.0000000000 1550 509 TIP3 H1 6.9712905888 8.4741420270 1.7729275611 SOLV 506 0.0000000000 1551 509 TIP3 H2 8.4172905888 8.6967020270 1.3837975611 SOLV 506 0.0000000000 1552 510 TIP3 OH2 10.4778805888 3.6344620270 -2.0042924389 SOLV 507 0.0000000000 1553 510 TIP3 H1 10.3798405888 4.5807820270 -2.1096724389 SOLV 507 0.0000000000 1554 510 TIP3 H2 9.7355005888 3.2618420270 -2.4799424389 SOLV 507 0.0000000000 1555 511 TIP3 OH2 14.4575905888 7.0833520270 0.6348975611 SOLV 508 0.0000000000 1556 511 TIP3 H1 13.5101305888 7.1153220270 0.7672275611 SOLV 508 0.0000000000 1557 511 TIP3 H2 14.7702605888 6.4580620270 1.2887175611 SOLV 508 0.0000000000 1558 512 TIP3 OH2 5.9186705888 6.9270420270 1.6876375611 SOLV 509 0.0000000000 1559 512 TIP3 H1 6.1304105888 6.2206520270 1.0773875611 SOLV 509 0.0000000000 1560 512 TIP3 H2 5.8074205888 6.4896420270 2.5317575611 SOLV 509 0.0000000000 1561 513 TIP3 OH2 3.7670905888 12.6795420270 -5.2866724389 SOLV 510 0.0000000000 1562 513 TIP3 H1 3.9513805888 12.5977120270 -6.2223824389 SOLV 510 0.0000000000 1563 513 TIP3 H2 4.6163805888 12.5552420270 -4.8630324389 SOLV 510 0.0000000000 1564 514 TIP3 OH2 3.3645705888 7.9500420270 0.8542075611 SOLV 511 0.0000000000 1565 514 TIP3 H1 4.2840605888 7.8278720270 1.0905175611 SOLV 511 0.0000000000 1566 514 TIP3 H2 2.9150205888 7.2000120270 1.2435575611 SOLV 511 0.0000000000 1567 515 TIP3 OH2 4.5858205888 6.2622020270 -6.2545024389 SOLV 512 0.0000000000 1568 515 TIP3 H1 5.0309805888 5.4704520270 -5.9525324389 SOLV 512 0.0000000000 1569 515 TIP3 H2 5.0521205888 6.9787220270 -5.8239424389 SOLV 512 0.0000000000 1570 516 TIP3 OH2 2.8898505888 9.2615020270 -5.1854824389 SOLV 513 0.0000000000 1571 516 TIP3 H1 3.3818305888 9.0405520270 -5.9762824389 SOLV 513 0.0000000000 1572 516 TIP3 H2 3.2519405888 10.1018420270 -4.9045324389 SOLV 513 0.0000000000 1573 517 TIP3 OH2 3.2035005888 5.5194120270 -11.1312424389 SOLV 514 0.0000000000 1574 517 TIP3 H1 2.2783405888 5.7280720270 -11.2606924389 SOLV 514 0.0000000000 1575 517 TIP3 H2 3.6574905888 6.0034920270 -11.8210124389 SOLV 514 0.0000000000 1576 518 TIP3 OH2 3.1670405888 4.2573120270 -2.7869924389 SOLV 515 0.0000000000 1577 518 TIP3 H1 2.5020905888 4.0113420270 -2.1439024389 SOLV 515 0.0000000000 1578 518 TIP3 H2 2.7241705888 4.8793520270 -3.3641924389 SOLV 515 0.0000000000 1579 519 TIP3 OH2 13.3166705888 5.1303420270 -6.7781824389 SOLV 516 0.0000000000 1580 519 TIP3 H1 12.6423505888 4.5009020270 -6.5226024389 SOLV 516 0.0000000000 1581 519 TIP3 H2 13.8805905888 4.6462320270 -7.3813924389 SOLV 516 0.0000000000 1582 520 TIP3 OH2 5.6434205888 3.7643720270 -8.9561924389 SOLV 517 0.0000000000 1583 520 TIP3 H1 4.8664005888 3.5298620270 -9.4636024389 SOLV 517 0.0000000000 1584 520 TIP3 H2 6.1737805888 2.9675820270 -8.9473924389 SOLV 517 0.0000000000 1585 521 TIP3 OH2 4.4797605888 3.5621820270 -13.1525824389 SOLV 518 0.0000000000 1586 521 TIP3 H1 4.9188305888 4.1732320270 -13.7442324389 SOLV 518 0.0000000000 1587 521 TIP3 H2 3.8460005888 4.1005920270 -12.6785824389 SOLV 518 0.0000000000 1588 522 TIP3 OH2 10.2226805888 3.6910820270 -9.1428824389 SOLV 519 0.0000000000 1589 522 TIP3 H1 11.0970205888 4.0795120270 -9.1724524389 SOLV 519 0.0000000000 1590 522 TIP3 H2 10.0867605888 3.4758620270 -8.2201624389 SOLV 519 0.0000000000 1591 523 TIP3 OH2 15.7795205888 3.7210620270 -7.4937124389 SOLV 520 0.0000000000 1592 523 TIP3 H1 15.8556805888 3.8162220270 -8.4431124389 SOLV 520 0.0000000000 1593 523 TIP3 H2 15.5044405888 2.8133520270 -7.3648024389 SOLV 520 0.0000000000 1594 524 TIP3 OH2 6.3406705888 5.4783320270 -14.7101724389 SOLV 521 0.0000000000 1595 524 TIP3 H1 6.8320105888 4.8485720270 -15.2376224389 SOLV 521 0.0000000000 1596 524 TIP3 H2 6.9643005888 5.7742720270 -14.0470524389 SOLV 521 0.0000000000 1597 525 TIP3 OH2 11.3666805888 5.7714820270 -12.2531224389 SOLV 522 0.0000000000 1598 525 TIP3 H1 11.5448105888 5.1248020270 -11.5702624389 SOLV 522 0.0000000000 1599 525 TIP3 H2 11.3133005888 6.6052520270 -11.7860124389 SOLV 522 0.0000000000 1600 526 TIP3 OH2 5.6012205888 4.2785620270 0.5614275611 SOLV 523 0.0000000000 1601 526 TIP3 H1 5.2350405888 3.5128220270 1.0038975611 SOLV 523 0.0000000000 1602 526 TIP3 H2 6.5140705888 4.3075820270 0.8479375611 SOLV 523 0.0000000000 1603 527 TIP3 OH2 7.5743005888 3.6290020270 2.0971375611 SOLV 524 0.0000000000 1604 527 TIP3 H1 8.4726605888 3.3550220270 1.9124775611 SOLV 524 0.0000000000 1605 527 TIP3 H2 7.1876105888 2.8866020270 2.5613975611 SOLV 524 0.0000000000 1606 528 TIP3 OH2 -4.1343194112 -5.9353979730 9.8585575611 SOLV 525 0.0000000000 1607 528 TIP3 H1 -4.0452094112 -4.9915779730 9.7262675611 SOLV 525 0.0000000000 1608 528 TIP3 H2 -4.7725594112 -6.2107579730 9.2004975611 SOLV 525 0.0000000000 1609 529 TIP3 OH2 -5.2011894112 -6.6803279730 13.2773775611 SOLV 526 0.0000000000 1610 529 TIP3 H1 -5.2394394112 -7.3266979730 13.9823375611 SOLV 526 0.0000000000 1611 529 TIP3 H2 -5.5235394112 -7.1468879730 12.5062475611 SOLV 526 0.0000000000 1612 530 TIP3 OH2 -12.8326894112 -7.0661179730 14.8703675611 SOLV 527 0.0000000000 1613 530 TIP3 H1 -12.7914794112 -7.6917879730 15.5936075611 SOLV 527 0.0000000000 1614 530 TIP3 H2 -12.1299194112 -6.4422579730 15.0524075611 SOLV 527 0.0000000000 1615 531 TIP3 OH2 -1.4951694112 -3.7412879730 11.5788875611 SOLV 528 0.0000000000 1616 531 TIP3 H1 -1.9358994112 -4.4616879730 12.0294475611 SOLV 528 0.0000000000 1617 531 TIP3 H2 -1.5081994112 -3.0205679730 12.2086575611 SOLV 528 0.0000000000 1618 532 TIP3 OH2 -11.9093794112 -2.6162279730 13.4052775611 SOLV 529 0.0000000000 1619 532 TIP3 H1 -12.2788594112 -3.4181779730 13.0357075611 SOLV 529 0.0000000000 1620 532 TIP3 H2 -10.9682694112 -2.7847379730 13.4516175611 SOLV 529 0.0000000000 1621 533 TIP3 OH2 -15.2993294112 -8.9559679730 8.7981575611 SOLV 530 0.0000000000 1622 533 TIP3 H1 -15.7469894112 -8.1100979730 8.7798075611 SOLV 530 0.0000000000 1623 533 TIP3 H2 -15.8602094112 -9.5355479730 8.2826675611 SOLV 530 0.0000000000 1624 534 TIP3 OH2 -14.5887194112 -6.7940079730 10.9239575611 SOLV 531 0.0000000000 1625 534 TIP3 H1 -14.3753694112 -7.5638479730 11.4512575611 SOLV 531 0.0000000000 1626 534 TIP3 H2 -13.8509594112 -6.7043379730 10.3207175611 SOLV 531 0.0000000000 1627 535 TIP3 OH2 -6.8117494112 -4.2481879730 13.6834775611 SOLV 532 0.0000000000 1628 535 TIP3 H1 -6.5079594112 -4.9340479730 13.0888875611 SOLV 532 0.0000000000 1629 535 TIP3 H2 -6.0903494112 -4.1293179730 14.3012775611 SOLV 532 0.0000000000 1630 536 TIP3 OH2 1.8512305888 -12.6466579730 14.5440975611 SOLV 533 0.0000000000 1631 536 TIP3 H1 1.9004505888 -12.0365379730 15.2800075611 SOLV 533 0.0000000000 1632 536 TIP3 H2 2.2767405888 -12.1855679730 13.8212075611 SOLV 533 0.0000000000 1633 537 TIP3 OH2 -3.6710494112 -9.8539479730 14.0109575611 SOLV 534 0.0000000000 1634 537 TIP3 H1 -3.5284594112 -10.8002479730 14.0311175611 SOLV 534 0.0000000000 1635 537 TIP3 H2 -3.7771494112 -9.6469679730 13.0824475611 SOLV 534 0.0000000000 1636 538 TIP3 OH2 -10.5162194112 -11.7523079730 11.2834375611 SOLV 535 0.0000000000 1637 538 TIP3 H1 -10.4731094112 -10.8924579730 10.8650675611 SOLV 535 0.0000000000 1638 538 TIP3 H2 -10.9738094112 -12.3048379730 10.6497575611 SOLV 535 0.0000000000 1639 539 TIP3 OH2 -2.7939494112 -11.6217479730 9.6842675611 SOLV 536 0.0000000000 1640 539 TIP3 H1 -2.1475194112 -11.9504279730 10.3090275611 SOLV 536 0.0000000000 1641 539 TIP3 H2 -2.2840094112 -11.1038479730 9.0614075611 SOLV 536 0.0000000000 1642 540 TIP3 OH2 -13.8960694112 -9.3557279730 12.0455775611 SOLV 537 0.0000000000 1643 540 TIP3 H1 -13.2424094112 -9.9055579730 12.4775875611 SOLV 537 0.0000000000 1644 540 TIP3 H2 -13.8721394112 -9.6298279730 11.1287775611 SOLV 537 0.0000000000 1645 541 TIP3 OH2 -8.7396194112 -7.8055979730 11.2607275611 SOLV 538 0.0000000000 1646 541 TIP3 H1 -8.1235194112 -8.3320579730 11.7701275611 SOLV 538 0.0000000000 1647 541 TIP3 H2 -9.3257394112 -8.4457279730 10.8570875611 SOLV 538 0.0000000000 1648 542 TIP3 OH2 -11.7060294112 -12.8344679730 15.3575175611 SOLV 539 0.0000000000 1649 542 TIP3 H1 -11.9248594112 -12.3044079730 14.5911175611 SOLV 539 0.0000000000 1650 542 TIP3 H2 -12.3739394112 -12.6079179730 16.0046575611 SOLV 539 0.0000000000 1651 543 TIP3 OH2 -4.3370494112 -3.3343579730 8.9014275611 SOLV 540 0.0000000000 1652 543 TIP3 H1 -4.6325394112 -3.6571279730 8.0501175611 SOLV 540 0.0000000000 1653 543 TIP3 H2 -4.6612694112 -2.4346879730 8.9426875611 SOLV 540 0.0000000000 1654 544 TIP3 OH2 -9.1368894112 -5.1588979730 15.6448875611 SOLV 541 0.0000000000 1655 544 TIP3 H1 -9.8769794112 -4.5607479730 15.7484075611 SOLV 541 0.0000000000 1656 544 TIP3 H2 -8.4229394112 -4.6049379730 15.3292475611 SOLV 541 0.0000000000 1657 545 TIP3 OH2 -1.0301094112 -12.3308179730 11.6648575611 SOLV 542 0.0000000000 1658 545 TIP3 H1 -1.2453094112 -13.0964779730 12.1974575611 SOLV 542 0.0000000000 1659 545 TIP3 H2 -0.3743694112 -11.8583579730 12.1777075611 SOLV 542 0.0000000000 1660 546 TIP3 OH2 -12.1122994112 -10.9422879730 13.3097375611 SOLV 543 0.0000000000 1661 546 TIP3 H1 -11.4986694112 -10.3095279730 13.6829775611 SOLV 543 0.0000000000 1662 546 TIP3 H2 -11.6002294112 -11.4147879730 12.6534275611 SOLV 543 0.0000000000 1663 547 TIP3 OH2 -14.6083694112 -3.5238079730 7.2139675611 SOLV 544 0.0000000000 1664 547 TIP3 H1 -14.8802794112 -3.2947079730 6.3252575611 SOLV 544 0.0000000000 1665 547 TIP3 H2 -14.5627994112 -2.6859279730 7.6744975611 SOLV 544 0.0000000000 1666 548 TIP3 OH2 -0.9833994112 -1.9022179730 13.9268175611 SOLV 545 0.0000000000 1667 548 TIP3 H1 -1.9250294112 -1.8438279730 14.0885075611 SOLV 545 0.0000000000 1668 548 TIP3 H2 -0.7067894112 -0.9961679730 13.7897875611 SOLV 545 0.0000000000 1669 549 TIP3 OH2 -0.6826994112 -13.6156879730 15.3442075611 SOLV 546 0.0000000000 1670 549 TIP3 H1 -1.4187794112 -13.0049779730 15.3063375611 SOLV 546 0.0000000000 1671 549 TIP3 H2 0.0007005888 -13.2007879730 14.8178475611 SOLV 546 0.0000000000 1672 550 TIP3 OH2 -2.7312794112 -0.1208679730 10.5519775611 SOLV 547 0.0000000000 1673 550 TIP3 H1 -2.3060494112 -0.8280779730 10.0669375611 SOLV 547 0.0000000000 1674 550 TIP3 H2 -2.4142794112 0.6804020270 10.1351975611 SOLV 547 0.0000000000 1675 551 TIP3 OH2 -1.5716294112 -2.2200179730 9.0606375611 SOLV 548 0.0000000000 1676 551 TIP3 H1 -1.8291494112 -2.9100079730 8.4492275611 SOLV 548 0.0000000000 1677 551 TIP3 H2 -1.5005494112 -2.6628979730 9.9062275611 SOLV 548 0.0000000000 1678 552 TIP3 OH2 -5.4130694112 -6.6913979730 7.3105875611 SOLV 549 0.0000000000 1679 552 TIP3 H1 -6.1245194112 -6.1564279730 6.9586375611 SOLV 549 0.0000000000 1680 552 TIP3 H2 -4.7221094112 -6.6361879730 6.6504775611 SOLV 549 0.0000000000 1681 553 TIP3 OH2 1.9563205888 -7.3135479730 15.6040275611 SOLV 550 0.0000000000 1682 553 TIP3 H1 1.3037305888 -6.6189879730 15.6931175611 SOLV 550 0.0000000000 1683 553 TIP3 H2 2.4213505888 -7.1034579730 14.7941875611 SOLV 550 0.0000000000 1684 554 TIP3 OH2 -2.0072994112 -6.4820679730 8.2621775611 SOLV 551 0.0000000000 1685 554 TIP3 H1 -2.7391994112 -6.2536979730 8.8352375611 SOLV 551 0.0000000000 1686 554 TIP3 H2 -1.5600794112 -7.1957979730 8.7169275611 SOLV 551 0.0000000000 1687 555 TIP3 OH2 -10.3619294112 -5.8514479730 10.1446775611 SOLV 552 0.0000000000 1688 555 TIP3 H1 -10.6924094112 -6.2221079730 9.3263775611 SOLV 552 0.0000000000 1689 555 TIP3 H2 -9.7735194112 -6.5220479730 10.4915075611 SOLV 552 0.0000000000 1690 556 TIP3 OH2 -8.9951794112 -2.4233879730 12.8258975611 SOLV 553 0.0000000000 1691 556 TIP3 H1 -9.0900494112 -3.0020779730 12.0693575611 SOLV 553 0.0000000000 1692 556 TIP3 H2 -8.2658194112 -2.7948179730 13.3221775611 SOLV 553 0.0000000000 1693 557 TIP3 OH2 -9.9953794112 -7.0828879730 13.7781775611 SOLV 554 0.0000000000 1694 557 TIP3 H1 -9.4301294112 -6.9614679730 13.0152975611 SOLV 554 0.0000000000 1695 557 TIP3 H2 -9.6764894112 -6.4453879730 14.4170275611 SOLV 554 0.0000000000 1696 558 TIP3 OH2 -3.6861594112 -1.5796979730 14.5122275611 SOLV 555 0.0000000000 1697 558 TIP3 H1 -3.9264994112 -0.9173879730 15.1601475611 SOLV 555 0.0000000000 1698 558 TIP3 H2 -3.8843394112 -2.4141779730 14.9371875611 SOLV 555 0.0000000000 1699 559 TIP3 OH2 -5.4098594112 -0.5829279730 9.3826075611 SOLV 556 0.0000000000 1700 559 TIP3 H1 -4.9360994112 -0.2872979730 10.1600275611 SOLV 556 0.0000000000 1701 559 TIP3 H2 -5.9729294112 0.1552320270 9.1495675611 SOLV 556 0.0000000000 1702 560 TIP3 OH2 -11.3716594112 -6.7820179730 7.7339575611 SOLV 557 0.0000000000 1703 560 TIP3 H1 -11.6635294112 -6.0138479730 7.2430875611 SOLV 557 0.0000000000 1704 560 TIP3 H2 -12.0461394112 -7.4413979730 7.5710975611 SOLV 557 0.0000000000 1705 561 TIP3 OH2 1.7516305888 -1.2034979730 4.1366575611 SOLV 558 0.0000000000 1706 561 TIP3 H1 1.8249805888 -0.2644779730 4.3071875611 SOLV 558 0.0000000000 1707 561 TIP3 H2 2.6571405888 -1.5086379730 4.0803875611 SOLV 558 0.0000000000 1708 562 TIP3 OH2 -15.5283794112 -1.6387179730 13.4329575611 SOLV 559 0.0000000000 1709 562 TIP3 H1 -14.5823194112 -1.7830179730 13.4139075611 SOLV 559 0.0000000000 1710 562 TIP3 H2 -15.6407494112 -0.8544379730 13.9700775611 SOLV 559 0.0000000000 1711 563 TIP3 OH2 -5.9375494112 2.3735420270 7.7975275611 SOLV 560 0.0000000000 1712 563 TIP3 H1 -6.0129494112 2.2522620270 6.8510475611 SOLV 560 0.0000000000 1713 563 TIP3 H2 -5.9046794112 3.3228120270 7.9159875611 SOLV 560 0.0000000000 1714 564 TIP3 OH2 -12.2841694112 1.1622420270 9.5784275611 SOLV 561 0.0000000000 1715 564 TIP3 H1 -12.1321294112 0.8142820270 10.4570775611 SOLV 561 0.0000000000 1716 564 TIP3 H2 -13.1351294112 0.8059720270 9.3231475611 SOLV 561 0.0000000000 1717 565 TIP3 OH2 -2.8359494112 1.5275620270 4.7997675611 SOLV 562 0.0000000000 1718 565 TIP3 H1 -2.4611094112 0.7831720270 4.3290275611 SOLV 562 0.0000000000 1719 565 TIP3 H2 -2.8315794112 1.2576220270 5.7180975611 SOLV 562 0.0000000000 1720 566 TIP3 OH2 -3.1671394112 1.4532720270 7.5489875611 SOLV 563 0.0000000000 1721 566 TIP3 H1 -4.1021594112 1.5534620270 7.7276875611 SOLV 563 0.0000000000 1722 566 TIP3 H2 -2.8869494112 0.7438720270 8.1273075611 SOLV 563 0.0000000000 1723 567 TIP3 OH2 -1.6590394112 -6.2869479730 3.5770875611 SOLV 564 0.0000000000 1724 567 TIP3 H1 -1.6169594112 -6.5095579730 2.6470875611 SOLV 564 0.0000000000 1725 567 TIP3 H2 -0.8098294112 -5.8882379730 3.7670775611 SOLV 564 0.0000000000 1726 568 TIP3 OH2 -6.0862894112 -12.4111279730 4.2474175611 SOLV 565 0.0000000000 1727 568 TIP3 H1 -6.3398094112 -12.3919679730 5.1702275611 SOLV 565 0.0000000000 1728 568 TIP3 H2 -6.3430794112 -13.2825879730 3.9460375611 SOLV 565 0.0000000000 1729 569 TIP3 OH2 -10.3197894112 -9.6600579730 14.6826575611 SOLV 566 0.0000000000 1730 569 TIP3 H1 -10.9615794112 -9.7003279730 15.3916675611 SOLV 566 0.0000000000 1731 569 TIP3 H2 -10.2825894112 -8.7335879730 14.4449575611 SOLV 566 0.0000000000 1732 570 TIP3 OH2 -10.3228794112 -9.4390479730 9.5946575611 SOLV 567 0.0000000000 1733 570 TIP3 H1 -11.2155894112 -9.7794379730 9.5360375611 SOLV 567 0.0000000000 1734 570 TIP3 H2 -9.8722194112 -9.8159579730 8.8389775611 SOLV 567 0.0000000000 1735 571 TIP3 OH2 -4.7873294112 -9.0230179730 8.4117375611 SOLV 568 0.0000000000 1736 571 TIP3 H1 -5.1962994112 -8.2081579730 8.1202175611 SOLV 568 0.0000000000 1737 571 TIP3 H2 -4.0667094112 -9.1630079730 7.7974475611 SOLV 568 0.0000000000 1738 572 TIP3 OH2 -3.7825594112 -9.5769779730 11.2257075611 SOLV 569 0.0000000000 1739 572 TIP3 H1 -3.9781094112 -8.9712979730 10.5107675611 SOLV 569 0.0000000000 1740 572 TIP3 H2 -3.6012994112 -10.4104579730 10.7913375611 SOLV 569 0.0000000000 1741 573 TIP3 OH2 -9.2039994112 -11.9654779730 3.3484575611 SOLV 570 0.0000000000 1742 573 TIP3 H1 -9.6349294112 -12.4104679730 4.0781975611 SOLV 570 0.0000000000 1743 573 TIP3 H2 -9.9221294112 -11.5938479730 2.8362075611 SOLV 570 0.0000000000 1744 574 TIP3 OH2 -15.9616594112 -12.2235279730 10.4003275611 SOLV 571 0.0000000000 1745 574 TIP3 H1 -15.3308894112 -12.2523179730 11.1197175611 SOLV 571 0.0000000000 1746 574 TIP3 H2 -15.5122294112 -12.6486579730 9.6699175611 SOLV 571 0.0000000000 1747 575 TIP3 OH2 -14.6874494112 -11.4773279730 5.8243675611 SOLV 572 0.0000000000 1748 575 TIP3 H1 -14.2132794112 -10.8863379730 5.2394575611 SOLV 572 0.0000000000 1749 575 TIP3 H2 -15.4048094112 -10.9470379730 6.1713775611 SOLV 572 0.0000000000 1750 576 TIP3 OH2 -4.5186394112 -7.9388479730 15.8969475611 SOLV 573 0.0000000000 1751 576 TIP3 H1 -4.1951594112 -8.5698779730 15.2539975611 SOLV 573 0.0000000000 1752 576 TIP3 H2 -4.9587094112 -8.4736279730 16.5576875611 SOLV 573 0.0000000000 1753 577 TIP3 OH2 -7.7413494112 -12.0112979730 10.6810675611 SOLV 574 0.0000000000 1754 577 TIP3 H1 -8.6522394112 -11.9546179730 10.9696675611 SOLV 574 0.0000000000 1755 577 TIP3 H2 -7.2360594112 -12.0717479730 11.4917875611 SOLV 574 0.0000000000 1756 578 TIP3 OH2 -12.9130094112 -10.3826679730 9.5078275611 SOLV 575 0.0000000000 1757 578 TIP3 H1 -13.8022094112 -10.2831179730 9.1677875611 SOLV 575 0.0000000000 1758 578 TIP3 H2 -12.6165194112 -11.2243679730 9.1616175611 SOLV 575 0.0000000000 1759 579 TIP3 OH2 -9.2598294112 -10.3824079730 7.1642875611 SOLV 576 0.0000000000 1760 579 TIP3 H1 -8.3282794112 -10.2534079730 7.3425975611 SOLV 576 0.0000000000 1761 579 TIP3 H2 -9.4747994112 -9.7129779730 6.5147575611 SOLV 576 0.0000000000 1762 580 TIP3 OH2 -3.3361594112 -12.7766679730 13.9452475611 SOLV 577 0.0000000000 1763 580 TIP3 H1 -4.0129994112 -12.6453579730 14.6092175611 SOLV 577 0.0000000000 1764 580 TIP3 H2 -3.8216694112 -12.9317179730 13.1350175611 SOLV 577 0.0000000000 1765 581 TIP3 OH2 -10.5858094112 -9.1881879730 4.7308975611 SOLV 578 0.0000000000 1766 581 TIP3 H1 -11.1282994112 -9.5678079730 4.0396575611 SOLV 578 0.0000000000 1767 581 TIP3 H2 -9.7523194112 -8.9937179730 4.3023075611 SOLV 578 0.0000000000 1768 582 TIP3 OH2 -6.4213794112 -9.2239979730 12.5680275611 SOLV 579 0.0000000000 1769 582 TIP3 H1 -5.8570394112 -9.7703379730 12.0209875611 SOLV 579 0.0000000000 1770 582 TIP3 H2 -6.5690394112 -9.7458079730 13.3567875611 SOLV 579 0.0000000000 1771 583 TIP3 OH2 -11.4194094112 -13.0873879730 8.9865075611 SOLV 580 0.0000000000 1772 583 TIP3 H1 -11.7364594112 -13.9898579730 8.9510475611 SOLV 580 0.0000000000 1773 583 TIP3 H2 -10.6379994112 -13.0856479730 8.4336675611 SOLV 580 0.0000000000 1774 584 TIP3 OH2 -7.7947894112 -10.8353879730 14.9820675611 SOLV 581 0.0000000000 1775 584 TIP3 H1 -8.6302594112 -10.3814379730 15.0923075611 SOLV 581 0.0000000000 1776 584 TIP3 H2 -7.2707294112 -10.5595379730 15.7340575611 SOLV 581 0.0000000000 1777 585 TIP3 OH2 -7.2505294112 -4.6226179730 6.6667075611 SOLV 582 0.0000000000 1778 585 TIP3 H1 -7.9954294112 -5.1300879730 6.3444975611 SOLV 582 0.0000000000 1779 585 TIP3 H2 -7.3848094112 -4.5738179730 7.6131875611 SOLV 582 0.0000000000 1780 586 TIP3 OH2 -0.1006394112 -5.4897979730 15.4534675611 SOLV 583 0.0000000000 1781 586 TIP3 H1 0.5412405888 -5.0331679730 14.9096875611 SOLV 583 0.0000000000 1782 586 TIP3 H2 -0.9309494112 -5.3765579730 14.9908775611 SOLV 583 0.0000000000 1783 587 TIP3 OH2 -12.1256994112 -5.3276179730 12.4364975611 SOLV 584 0.0000000000 1784 587 TIP3 H1 -11.3809794112 -5.3300479730 11.8351475611 SOLV 584 0.0000000000 1785 587 TIP3 H2 -12.0480394112 -6.1512379730 12.9180075611 SOLV 584 0.0000000000 1786 588 TIP3 OH2 -5.1251194112 -3.1641879730 5.6921675611 SOLV 585 0.0000000000 1787 588 TIP3 H1 -5.4202794112 -2.3373979730 6.0736475611 SOLV 585 0.0000000000 1788 588 TIP3 H2 -5.8281194112 -3.7834979730 5.8883075611 SOLV 585 0.0000000000 1789 589 TIP3 OH2 2.2503705888 -9.7319479730 6.2213775611 SOLV 586 0.0000000000 1790 589 TIP3 H1 1.6960005888 -10.1281479730 5.5491275611 SOLV 586 0.0000000000 1791 589 TIP3 H2 2.3507305888 -8.8214279730 5.9437075611 SOLV 586 0.0000000000 1792 590 TIP3 OH2 0.5455405888 -0.9459079730 6.6865875611 SOLV 587 0.0000000000 1793 590 TIP3 H1 0.1726505888 -1.7715279730 6.9956475611 SOLV 587 0.0000000000 1794 590 TIP3 H2 0.8228905888 -1.1289679730 5.7889275611 SOLV 587 0.0000000000 1795 591 TIP3 OH2 -2.2940694112 -6.1379579730 13.7077775611 SOLV 588 0.0000000000 1796 591 TIP3 H1 -3.2223794112 -6.3697679730 13.6807075611 SOLV 588 0.0000000000 1797 591 TIP3 H2 -1.8429594112 -6.9149779730 13.3776575611 SOLV 588 0.0000000000 1798 592 TIP3 OH2 -9.7507594112 -1.8097979730 9.8406475611 SOLV 589 0.0000000000 1799 592 TIP3 H1 -9.2235394112 -1.0363579730 9.6405275611 SOLV 589 0.0000000000 1800 592 TIP3 H2 -10.6309094112 -1.5848779730 9.5390475611 SOLV 589 0.0000000000 1801 593 TIP3 OH2 -13.9959894112 -6.9473879730 4.4278875611 SOLV 590 0.0000000000 1802 593 TIP3 H1 -13.3799994112 -6.3206679730 4.8073675611 SOLV 590 0.0000000000 1803 593 TIP3 H2 -14.8577294112 -6.6314079730 4.6995375611 SOLV 590 0.0000000000 1804 594 TIP3 OH2 -8.3235294112 -4.1468079730 9.4170775611 SOLV 591 0.0000000000 1805 594 TIP3 H1 -8.5645294112 -3.2213679730 9.4586075611 SOLV 591 0.0000000000 1806 594 TIP3 H2 -9.0641694112 -4.6056779730 9.8134675611 SOLV 591 0.0000000000 1807 595 TIP3 OH2 -7.8088694112 0.0025520270 15.7321875611 SOLV 592 0.0000000000 1808 595 TIP3 H1 -7.4463994112 0.8571120270 15.4986275611 SOLV 592 0.0000000000 1809 595 TIP3 H2 -7.2773494112 -0.2892879730 16.4728175611 SOLV 592 0.0000000000 1810 596 TIP3 OH2 -9.6404494112 0.8749520270 8.9622975611 SOLV 593 0.0000000000 1811 596 TIP3 H1 -10.5903994112 0.9806920270 9.0136275611 SOLV 593 0.0000000000 1812 596 TIP3 H2 -9.2886394112 1.6956920270 9.3070475611 SOLV 593 0.0000000000 1813 597 TIP3 OH2 -4.2647894112 -3.8983779730 15.4327475611 SOLV 594 0.0000000000 1814 597 TIP3 H1 -4.6906594112 -4.1262079730 16.2591475611 SOLV 594 0.0000000000 1815 597 TIP3 H2 -3.6842094112 -4.6371979730 15.2502775611 SOLV 594 0.0000000000 1816 598 TIP3 OH2 -2.0618994112 -2.9693279730 4.5066475611 SOLV 595 0.0000000000 1817 598 TIP3 H1 -1.7085894112 -3.3493479730 5.3109975611 SOLV 595 0.0000000000 1818 598 TIP3 H2 -3.0105494112 -3.0628479730 4.5935775611 SOLV 595 0.0000000000 1819 599 TIP3 OH2 2.4415405888 1.5099220270 4.7076675611 SOLV 596 0.0000000000 1820 599 TIP3 H1 3.1853305888 2.0959720270 4.5678275611 SOLV 596 0.0000000000 1821 599 TIP3 H2 1.7473505888 2.0785020270 5.0409075611 SOLV 596 0.0000000000 1822 600 TIP3 OH2 -1.1959694112 -4.2971279730 6.7334375611 SOLV 597 0.0000000000 1823 600 TIP3 H1 -1.4732094112 -5.0251979730 7.2895475611 SOLV 597 0.0000000000 1824 600 TIP3 H2 -0.2686694112 -4.1779279730 6.9386975611 SOLV 597 0.0000000000 1825 601 TIP3 OH2 -7.9711194112 -1.8577179730 2.9536475611 SOLV 598 0.0000000000 1826 601 TIP3 H1 -7.7321394112 -2.6059079730 2.4065375611 SOLV 598 0.0000000000 1827 601 TIP3 H2 -8.2399894112 -2.2455479730 3.7864275611 SOLV 598 0.0000000000 1828 602 TIP3 OH2 -9.0340594112 -2.2873379730 5.4099075611 SOLV 599 0.0000000000 1829 602 TIP3 H1 -8.8872594112 -2.8073579730 6.1999975611 SOLV 599 0.0000000000 1830 602 TIP3 H2 -9.0368894112 -1.3805779730 5.7164975611 SOLV 599 0.0000000000 1831 603 TIP3 OH2 -12.5809494112 -5.0350079730 5.9204475611 SOLV 600 0.0000000000 1832 603 TIP3 H1 -13.2670194112 -4.6827579730 6.4874175611 SOLV 600 0.0000000000 1833 603 TIP3 H2 -12.0581594112 -4.2720479730 5.6738775611 SOLV 600 0.0000000000 1834 604 TIP3 OH2 -3.9649494112 -12.7204579730 7.2965775611 SOLV 601 0.0000000000 1835 604 TIP3 H1 -3.7451194112 -12.2489179730 6.4931175611 SOLV 601 0.0000000000 1836 604 TIP3 H2 -3.4065494112 -12.3261979730 7.9666375611 SOLV 601 0.0000000000 1837 605 TIP3 OH2 -6.2963394112 -0.5899779730 6.1593275611 SOLV 602 0.0000000000 1838 605 TIP3 H1 -7.1127294112 -0.0930079730 6.2117575611 SOLV 602 0.0000000000 1839 605 TIP3 H2 -5.7667094112 -0.1146279730 5.5192075611 SOLV 602 0.0000000000 1840 606 TIP3 OH2 -6.7649594112 -10.9925779730 8.1314175611 SOLV 603 0.0000000000 1841 606 TIP3 H1 -5.9526994112 -10.4882579730 8.1775875611 SOLV 603 0.0000000000 1842 606 TIP3 H2 -7.0096594112 -11.1376079730 9.0453775611 SOLV 603 0.0000000000 1843 607 TIP3 OH2 -5.8812894112 -13.9112779730 9.0695275611 SOLV 604 0.0000000000 1844 607 TIP3 H1 -6.2279394112 -13.2942179730 9.7139575611 SOLV 604 0.0000000000 1845 607 TIP3 H2 -5.2225994112 -13.4107079730 8.5880775611 SOLV 604 0.0000000000 1846 608 TIP3 OH2 -8.9580294112 0.4537420270 6.1410175611 SOLV 605 0.0000000000 1847 608 TIP3 H1 -8.7971594112 1.2534920270 5.6402775611 SOLV 605 0.0000000000 1848 608 TIP3 H2 -9.1552494112 0.7603420270 7.0260775611 SOLV 605 0.0000000000 1849 609 TIP3 OH2 -10.2235894112 -12.8483379730 5.7567775611 SOLV 606 0.0000000000 1850 609 TIP3 H1 -10.3071094112 -11.9600279730 6.1034175611 SOLV 606 0.0000000000 1851 609 TIP3 H2 -9.3335594112 -13.1136679730 5.9884575611 SOLV 606 0.0000000000 1852 610 TIP3 OH2 -1.4226394112 -8.3491779730 12.2467775611 SOLV 607 0.0000000000 1853 610 TIP3 H1 -2.2201994112 -8.7641579730 11.9182775611 SOLV 607 0.0000000000 1854 610 TIP3 H2 -0.9775294112 -9.0398079730 12.7378275611 SOLV 607 0.0000000000 1855 611 TIP3 OH2 -11.9650594112 -2.4211179730 4.8172275611 SOLV 608 0.0000000000 1856 611 TIP3 H1 -11.3729094112 -1.7216379730 5.0934675611 SOLV 608 0.0000000000 1857 611 TIP3 H2 -11.5057594112 -2.8541679730 4.0976875611 SOLV 608 0.0000000000 1858 612 TIP3 OH2 -13.6491394112 -9.7568179730 3.9331675611 SOLV 609 0.0000000000 1859 612 TIP3 H1 -13.6938794112 -8.8175079730 4.1118675611 SOLV 609 0.0000000000 1860 612 TIP3 H2 -14.5368194112 -9.9923279730 3.6633775611 SOLV 609 0.0000000000 1861 613 TIP3 OH2 -0.3361794112 0.9070720270 13.8691275611 SOLV 610 0.0000000000 1862 613 TIP3 H1 -0.4917494112 1.5855120270 13.2120575611 SOLV 610 0.0000000000 1863 613 TIP3 H2 0.5964605888 0.9790020270 14.0721875611 SOLV 610 0.0000000000 1864 614 TIP3 OH2 -12.8409394112 -14.9751579730 12.6062675611 SOLV 611 0.0000000000 1865 614 TIP3 H1 -13.0699594112 -14.9159079730 11.6787675611 SOLV 611 0.0000000000 1866 614 TIP3 H2 -13.2835994112 -15.7666079730 12.9126775611 SOLV 611 0.0000000000 1867 615 TIP3 OH2 -13.9106094112 -1.0344479730 8.7668475611 SOLV 612 0.0000000000 1868 615 TIP3 H1 -14.7427494112 -0.5621779730 8.7939875611 SOLV 612 0.0000000000 1869 615 TIP3 H2 -13.3647794112 -0.5246879730 8.1681575611 SOLV 612 0.0000000000 1870 616 TIP3 OH2 -5.9329394112 0.0054220270 3.0922475611 SOLV 613 0.0000000000 1871 616 TIP3 H1 -6.5768394112 -0.6257179730 3.4136175611 SOLV 613 0.0000000000 1872 616 TIP3 H2 -5.1711094112 -0.5257779730 2.8605975611 SOLV 613 0.0000000000 1873 617 TIP3 OH2 -1.3286494112 -0.1775879730 3.3260475611 SOLV 614 0.0000000000 1874 617 TIP3 H1 -1.0456094112 -0.9720679730 3.7787375611 SOLV 614 0.0000000000 1875 617 TIP3 H2 -0.5888594112 0.0555120270 2.7651575611 SOLV 614 0.0000000000 1876 618 TIP3 OH2 -10.3739194112 -4.2680979730 3.1835375611 SOLV 615 0.0000000000 1877 618 TIP3 H1 -10.3095094112 -5.0621379730 3.7141775611 SOLV 615 0.0000000000 1878 618 TIP3 H2 -9.7209994112 -4.3868179730 2.4937375611 SOLV 615 0.0000000000 1879 619 TIP3 OH2 -5.0215794112 -3.2209279730 2.9193375611 SOLV 616 0.0000000000 1880 619 TIP3 H1 -5.2901694112 -3.0407179730 3.8202275611 SOLV 616 0.0000000000 1881 619 TIP3 H2 -5.2280194112 -4.1463079730 2.7879175611 SOLV 616 0.0000000000 1882 620 TIP3 OH2 -9.2245394112 -6.2954779730 5.4893375611 SOLV 617 0.0000000000 1883 620 TIP3 H1 -9.6843394112 -6.7796479730 6.1751875611 SOLV 617 0.0000000000 1884 620 TIP3 H2 -8.9696694112 -6.9639379730 4.8533875611 SOLV 617 0.0000000000 1885 621 TIP3 OH2 -8.1534994112 -8.0522979730 3.7516575611 SOLV 618 0.0000000000 1886 621 TIP3 H1 -8.3339994112 -8.2071779730 2.8244875611 SOLV 618 0.0000000000 1887 621 TIP3 H2 -7.2034494112 -7.9444279730 3.7964475611 SOLV 618 0.0000000000 1888 622 TIP3 OH2 1.2363305888 -5.6978779730 3.1974675611 SOLV 619 0.0000000000 1889 622 TIP3 H1 0.9628105888 -6.1223279730 2.3842975611 SOLV 619 0.0000000000 1890 622 TIP3 H2 1.2757405888 -4.7664279730 2.9805075611 SOLV 619 0.0000000000 1891 623 TIP3 OH2 -8.2563294112 2.6380720270 4.7530175611 SOLV 620 0.0000000000 1892 623 TIP3 H1 -7.3232594112 2.7959420270 4.8968575611 SOLV 620 0.0000000000 1893 623 TIP3 H2 -8.5204494112 3.3133720270 4.1281675611 SOLV 620 0.0000000000 1894 624 TIP3 OH2 -14.6878394112 -2.7255479730 4.2358275611 SOLV 621 0.0000000000 1895 624 TIP3 H1 -13.7739194112 -2.6466579730 4.5092175611 SOLV 621 0.0000000000 1896 624 TIP3 H2 -14.6805294112 -3.4125879730 3.5693875611 SOLV 621 0.0000000000 1897 625 TIP3 OH2 -15.1688594112 0.7480020270 11.1178375611 SOLV 622 0.0000000000 1898 625 TIP3 H1 -15.5031794112 -0.1322679730 11.2898575611 SOLV 622 0.0000000000 1899 625 TIP3 H2 -14.9466194112 1.0935020270 11.9823975611 SOLV 622 0.0000000000 1900 626 TIP3 OH2 2.3796205888 1.5576420270 14.0983175611 SOLV 623 0.0000000000 1901 626 TIP3 H1 2.3582905888 1.7424820270 15.0372575611 SOLV 623 0.0000000000 1902 626 TIP3 H2 3.0702405888 2.1260420270 13.7574575611 SOLV 623 0.0000000000 1903 627 TIP3 OH2 1.6946105888 -4.8290679730 7.1725075611 SOLV 624 0.0000000000 1904 627 TIP3 H1 2.5447505888 -4.4079779730 7.2996675611 SOLV 624 0.0000000000 1905 627 TIP3 H2 1.7001205888 -5.5690579730 7.7796475611 SOLV 624 0.0000000000 1906 628 TIP3 OH2 2.0891705888 -6.7753279730 8.9960775611 SOLV 625 0.0000000000 1907 628 TIP3 H1 1.3626305888 -7.2550679730 9.3938375611 SOLV 625 0.0000000000 1908 628 TIP3 H2 2.6705005888 -6.5698579730 9.7282375611 SOLV 625 0.0000000000 1909 629 TIP3 OH2 1.8482905888 -3.9905779730 13.9438375611 SOLV 626 0.0000000000 1910 629 TIP3 H1 2.6817105888 -4.3685779730 13.6631975611 SOLV 626 0.0000000000 1911 629 TIP3 H2 1.9603205888 -3.0474579730 13.8247475611 SOLV 626 0.0000000000 1912 630 TIP3 OH2 2.3574805888 -6.8744779730 5.3872075611 SOLV 627 0.0000000000 1913 630 TIP3 H1 1.8355905888 -6.5180679730 4.6682975611 SOLV 627 0.0000000000 1914 630 TIP3 H2 2.3244005888 -6.1996979730 6.0652975611 SOLV 627 0.0000000000 1915 631 TIP3 OH2 0.7063805888 -9.6349179730 3.9379175611 SOLV 628 0.0000000000 1916 631 TIP3 H1 0.8028205888 -8.9682179730 3.2578875611 SOLV 628 0.0000000000 1917 631 TIP3 H2 0.5663405888 -10.4502879730 3.4564675611 SOLV 628 0.0000000000 1918 632 TIP3 OH2 -0.1241494112 -8.2546779730 9.5589475611 SOLV 629 0.0000000000 1919 632 TIP3 H1 -0.2742694112 -9.1998179730 9.5387275611 SOLV 629 0.0000000000 1920 632 TIP3 H2 -0.4776994112 -7.9735379730 10.4028575611 SOLV 629 0.0000000000 1921 633 TIP3 OH2 -15.0889094112 -6.1764579730 13.5693275611 SOLV 630 0.0000000000 1922 633 TIP3 H1 -14.9046194112 -6.2582879730 12.6336175611 SOLV 630 0.0000000000 1923 633 TIP3 H2 -14.2396194112 -6.3007579730 13.9929675611 SOLV 630 0.0000000000 1924 634 TIP3 OH2 -0.0462394112 -12.2269379730 3.0554675611 SOLV 631 0.0000000000 1925 634 TIP3 H1 0.5643405888 -12.5982579730 3.6922875611 SOLV 631 0.0000000000 1926 634 TIP3 H2 -0.8830894112 -12.6482479730 3.2514675611 SOLV 631 0.0000000000 1927 635 TIP3 OH2 -0.4136694112 -10.6720979730 8.0214575611 SOLV 632 0.0000000000 1928 635 TIP3 H1 -0.1339594112 -11.5790579730 8.1456275611 SOLV 632 0.0000000000 1929 635 TIP3 H2 0.3455005888 -10.2379479730 7.6323775611 SOLV 632 0.0000000000 1930 636 TIP3 OH2 0.1981605888 -10.0903579730 13.4573475611 SOLV 633 0.0000000000 1931 636 TIP3 H1 1.1309605888 -9.8783679730 13.4229475611 SOLV 633 0.0000000000 1932 636 TIP3 H2 -0.0370894112 -9.9891479730 14.3796475611 SOLV 633 0.0000000000 1933 637 TIP3 OH2 0.1998105888 -13.4091679730 8.0696575611 SOLV 634 0.0000000000 1934 637 TIP3 H1 0.3823105888 -13.8580179730 8.8951575611 SOLV 634 0.0000000000 1935 637 TIP3 H2 -0.3998994112 -13.9937279730 7.6061175611 SOLV 634 0.0000000000 1936 638 TIP3 OH2 -14.2701794112 -12.5937979730 12.6014975611 SOLV 635 0.0000000000 1937 638 TIP3 H1 -13.8250194112 -13.3855479730 12.9034675611 SOLV 635 0.0000000000 1938 638 TIP3 H2 -13.8038794112 -11.8772779730 13.0320575611 SOLV 635 0.0000000000 1939 639 TIP3 OH2 -15.9661494112 -9.5944979730 13.6705175611 SOLV 636 0.0000000000 1940 639 TIP3 H1 -15.4741694112 -9.8154479730 12.8797175611 SOLV 636 0.0000000000 1941 639 TIP3 H2 -15.6040594112 -8.7541579730 13.9514675611 SOLV 636 0.0000000000 1942 640 TIP3 OH2 -15.6524994112 -13.3365879730 7.7247575611 SOLV 637 0.0000000000 1943 640 TIP3 H1 -16.5776594112 -13.1279279730 7.5953075611 SOLV 637 0.0000000000 1944 640 TIP3 H2 -15.1985094112 -12.8525079730 7.0349875611 SOLV 637 0.0000000000 1945 641 TIP3 OH2 -0.8817794112 1.6475820270 9.6704975611 SOLV 638 0.0000000000 1946 641 TIP3 H1 -0.2294894112 1.2997920270 9.0624075611 SOLV 638 0.0000000000 1947 641 TIP3 H2 -0.3713994112 2.1359020270 10.3164675611 SOLV 638 0.0000000000 1948 642 TIP3 OH2 -10.6738094112 2.4076220270 15.5492375611 SOLV 639 0.0000000000 1949 642 TIP3 H1 -11.5385894112 2.4794720270 15.9532475611 SOLV 639 0.0000000000 1950 642 TIP3 H2 -10.7289094112 2.9543520270 14.7654875611 SOLV 639 0.0000000000 1951 643 TIP3 OH2 -3.6356194112 1.1734720270 15.6698675611 SOLV 640 0.0000000000 1952 643 TIP3 H1 -4.5402494112 1.3384920270 15.4040775611 SOLV 640 0.0000000000 1953 643 TIP3 H2 -3.2067594112 2.0266920270 15.6042075611 SOLV 640 0.0000000000 1954 644 TIP3 OH2 -1.0314294112 2.7433820270 15.9646475611 SOLV 641 0.0000000000 1955 644 TIP3 H1 -1.2132294112 3.6592720270 15.7541375611 SOLV 641 0.0000000000 1956 644 TIP3 H2 -0.8546494112 2.3330920270 15.1181075611 SOLV 641 0.0000000000 1957 645 TIP3 OH2 -13.7262594112 1.4304820270 13.4296975611 SOLV 642 0.0000000000 1958 645 TIP3 H1 -13.7446594112 1.0049920270 14.2869275611 SOLV 642 0.0000000000 1959 645 TIP3 H2 -12.9214694112 1.1119820270 13.0209175611 SOLV 642 0.0000000000 1960 646 TIP3 OH2 -11.5849494112 0.1403520270 12.0846875611 SOLV 643 0.0000000000 1961 646 TIP3 H1 -11.8038794112 -0.7759079730 12.2542875611 SOLV 643 0.0000000000 1962 646 TIP3 H2 -10.7607294112 0.2803920270 12.5508275611 SOLV 643 0.0000000000 1963 647 TIP3 OH2 -9.0476994112 0.6102820270 12.9334875611 SOLV 644 0.0000000000 1964 647 TIP3 H1 -8.8351294112 -0.2778179730 12.6465775611 SOLV 644 0.0000000000 1965 647 TIP3 H2 -8.9831894112 0.5760520270 13.8878875611 SOLV 644 0.0000000000 1966 648 TIP3 OH2 -5.5393294112 -13.7256579730 12.0778175611 SOLV 645 0.0000000000 1967 648 TIP3 H1 -6.2136494112 -14.3550979730 12.3333975611 SOLV 645 0.0000000000 1968 648 TIP3 H2 -4.9754094112 -14.2097679730 11.4746075611 SOLV 645 0.0000000000 1969 649 TIP3 OH2 -0.3966094112 -15.6182579730 12.1905275611 SOLV 646 0.0000000000 1970 649 TIP3 H1 0.2071505888 -15.0707179730 11.6886275611 SOLV 646 0.0000000000 1971 649 TIP3 H2 -1.2664094112 -15.2992179730 11.9499375611 SOLV 646 0.0000000000 1972 650 TIP3 OH2 1.3304305888 -14.4793879730 10.5236175611 SOLV 647 0.0000000000 1973 650 TIP3 H1 1.9421805888 -14.9938179730 9.9969775611 SOLV 647 0.0000000000 1974 650 TIP3 H2 1.7127705888 -13.6021779730 10.5470575611 SOLV 647 0.0000000000 1975 651 TIP3 OH2 -13.2125794112 -15.0916279730 9.8998075611 SOLV 648 0.0000000000 1976 651 TIP3 H1 -13.9895994112 -15.3261379730 9.3923975611 SOLV 648 0.0000000000 1977 651 TIP3 H2 -12.6822194112 -15.8884179730 9.9086075611 SOLV 648 0.0000000000 1978 652 TIP3 OH2 -14.3762394112 -15.2938179730 5.7034175611 SOLV 649 0.0000000000 1979 652 TIP3 H1 -13.9371694112 -14.6827679730 5.1117675611 SOLV 649 0.0000000000 1980 652 TIP3 H2 -15.0099994112 -14.7554079730 6.1774175611 SOLV 649 0.0000000000 1981 653 TIP3 OH2 -8.6333194112 -15.1649179730 9.7131175611 SOLV 650 0.0000000000 1982 653 TIP3 H1 -7.7589794112 -14.7764879730 9.6835475611 SOLV 650 0.0000000000 1983 653 TIP3 H2 -8.7692394112 -15.3801379730 10.6358375611 SOLV 650 0.0000000000 1984 654 TIP3 OH2 -3.0764794112 -15.1349379730 11.3622875611 SOLV 651 0.0000000000 1985 654 TIP3 H1 -3.0003194112 -15.0397779730 10.4128875611 SOLV 651 0.0000000000 1986 654 TIP3 H2 -3.3515594112 -16.0426479730 11.4911975611 SOLV 651 0.0000000000 1987 655 TIP3 OH2 -1.7232194112 -15.1091579730 7.0547875611 SOLV 652 0.0000000000 1988 655 TIP3 H1 -2.4261094112 -14.4942379730 6.8449275611 SOLV 652 0.0000000000 1989 655 TIP3 H2 -2.1680794112 -15.9464879730 7.1858775611 SOLV 652 0.0000000000 1990 656 TIP3 OH2 -14.4752894112 0.6544020270 6.6009275611 SOLV 653 0.0000000000 1991 656 TIP3 H1 -15.1602994112 0.6162920270 5.9334375611 SOLV 653 0.0000000000 1992 656 TIP3 H2 -14.4715694112 1.5671620270 6.8891375611 SOLV 653 0.0000000000 1993 657 TIP3 OH2 -12.5153294112 -13.3776679730 4.1458275611 SOLV 654 0.0000000000 1994 657 TIP3 H1 -12.0239894112 -14.0074279730 3.6183775611 SOLV 654 0.0000000000 1995 657 TIP3 H2 -11.8916994112 -13.0817279730 4.8089475611 SOLV 654 0.0000000000 1996 658 TIP3 OH2 -7.4893194112 -13.0845179730 6.6028775611 SOLV 655 0.0000000000 1997 658 TIP3 H1 -7.3111894112 -13.7311979730 7.2857375611 SOLV 655 0.0000000000 1998 658 TIP3 H2 -7.5426994112 -12.2507479730 7.0699875611 SOLV 655 0.0000000000 1999 659 TIP3 OH2 -5.6109394112 1.8638920270 4.9985475611 SOLV 656 0.0000000000 2000 659 TIP3 H1 -4.7449194112 2.2306320270 4.8203675611 SOLV 656 0.0000000000 2001 659 TIP3 H2 -5.8576594112 1.4246920270 4.1846275611 SOLV 656 0.0000000000 2002 660 TIP3 OH2 1.0980205888 1.4269220270 7.6776575611 SOLV 657 0.0000000000 2003 660 TIP3 H1 0.9037305888 0.6791320270 7.1126175611 SOLV 657 0.0000000000 2004 660 TIP3 H2 1.0590305888 2.1849320270 7.0944475611 SOLV 657 0.0000000000 2005 661 TIP3 OH2 -12.6571694112 1.5744820270 3.6261375611 SOLV 658 0.0000000000 2006 661 TIP3 H1 -12.9247094112 1.8607720270 4.4994475611 SOLV 658 0.0000000000 2007 661 TIP3 H2 -11.8859094112 1.0284020270 3.7783875611 SOLV 658 0.0000000000 2008 662 TIP3 OH2 14.7216805888 -5.9353979730 9.8585575611 SOLV 659 0.0000000000 2009 662 TIP3 H1 14.8107905888 -4.9915779730 9.7262675611 SOLV 659 0.0000000000 2010 662 TIP3 H2 14.0834405888 -6.2107579730 9.2004975611 SOLV 659 0.0000000000 2011 663 TIP3 OH2 6.9466205888 -2.6162279730 13.4052775611 SOLV 660 0.0000000000 2012 663 TIP3 H1 6.5771405888 -3.4181779730 13.0357075611 SOLV 660 0.0000000000 2013 663 TIP3 H2 7.8877305888 -2.7847379730 13.4516175611 SOLV 660 0.0000000000 2014 664 TIP3 OH2 3.5566705888 -8.9559679730 8.7981575611 SOLV 661 0.0000000000 2015 664 TIP3 H1 3.1090105888 -8.1100979730 8.7798075611 SOLV 661 0.0000000000 2016 664 TIP3 H2 2.9957905888 -9.5355479730 8.2826675611 SOLV 661 0.0000000000 2017 665 TIP3 OH2 4.2672805888 -6.7940079730 10.9239575611 SOLV 662 0.0000000000 2018 665 TIP3 H1 4.4806305888 -7.5638479730 11.4512575611 SOLV 662 0.0000000000 2019 665 TIP3 H2 5.0050405888 -6.7043379730 10.3207175611 SOLV 662 0.0000000000 2020 666 TIP3 OH2 14.4723805888 1.3628820270 11.7909275611 SOLV 663 0.0000000000 2021 666 TIP3 H1 15.0920205888 0.6863520270 11.5178475611 SOLV 663 0.0000000000 2022 666 TIP3 H2 14.2641205888 1.1449620270 12.6994175611 SOLV 663 0.0000000000 2023 667 TIP3 OH2 12.0442505888 -4.2481879730 13.6834775611 SOLV 664 0.0000000000 2024 667 TIP3 H1 12.3480405888 -4.9340479730 13.0888875611 SOLV 664 0.0000000000 2025 667 TIP3 H2 12.7656505888 -4.1293179730 14.3012775611 SOLV 664 0.0000000000 2026 668 TIP3 OH2 15.1849505888 -9.8539479730 14.0109575611 SOLV 665 0.0000000000 2027 668 TIP3 H1 15.3275405888 -10.8002479730 14.0311175611 SOLV 665 0.0000000000 2028 668 TIP3 H2 15.0788505888 -9.6469679730 13.0824475611 SOLV 665 0.0000000000 2029 669 TIP3 OH2 8.3397805888 -11.7523079730 11.2834375611 SOLV 666 0.0000000000 2030 669 TIP3 H1 8.3828905888 -10.8924579730 10.8650675611 SOLV 666 0.0000000000 2031 669 TIP3 H2 7.8821905888 -12.3048379730 10.6497575611 SOLV 666 0.0000000000 2032 670 TIP3 OH2 4.9599305888 -9.3557279730 12.0455775611 SOLV 667 0.0000000000 2033 670 TIP3 H1 5.6135905888 -9.9055579730 12.4775875611 SOLV 667 0.0000000000 2034 670 TIP3 H2 4.9838605888 -9.6298279730 11.1287775611 SOLV 667 0.0000000000 2035 671 TIP3 OH2 10.1163805888 -7.8055979730 11.2607275611 SOLV 668 0.0000000000 2036 671 TIP3 H1 10.7324805888 -8.3320579730 11.7701275611 SOLV 668 0.0000000000 2037 671 TIP3 H2 9.5302605888 -8.4457279730 10.8570875611 SOLV 668 0.0000000000 2038 672 TIP3 OH2 7.1499705888 -12.8344679730 15.3575175611 SOLV 669 0.0000000000 2039 672 TIP3 H1 6.9311405888 -12.3044079730 14.5911175611 SOLV 669 0.0000000000 2040 672 TIP3 H2 6.4820605888 -12.6079179730 16.0046575611 SOLV 669 0.0000000000 2041 673 TIP3 OH2 14.5189505888 -3.3343579730 8.9014275611 SOLV 670 0.0000000000 2042 673 TIP3 H1 14.2234605888 -3.6571279730 8.0501175611 SOLV 670 0.0000000000 2043 673 TIP3 H2 14.1947305888 -2.4346879730 8.9426875611 SOLV 670 0.0000000000 2044 674 TIP3 OH2 9.7191105888 -5.1588979730 15.6448875611 SOLV 671 0.0000000000 2045 674 TIP3 H1 8.9790205888 -4.5607479730 15.7484075611 SOLV 671 0.0000000000 2046 674 TIP3 H2 10.4330605888 -4.6049379730 15.3292475611 SOLV 671 0.0000000000 2047 675 TIP3 OH2 6.7437005888 -10.9422879730 13.3097375611 SOLV 672 0.0000000000 2048 675 TIP3 H1 7.3573305888 -10.3095279730 13.6829775611 SOLV 672 0.0000000000 2049 675 TIP3 H2 7.2557705888 -11.4147879730 12.6534275611 SOLV 672 0.0000000000 2050 676 TIP3 OH2 4.2476305888 -3.5238079730 7.2139675611 SOLV 673 0.0000000000 2051 676 TIP3 H1 3.9757205888 -3.2947079730 6.3252575611 SOLV 673 0.0000000000 2052 676 TIP3 H2 4.2932005888 -2.6859279730 7.6744975611 SOLV 673 0.0000000000 2053 677 TIP3 OH2 11.1764405888 -15.5289579730 12.8100075611 SOLV 674 0.0000000000 2054 677 TIP3 H1 11.0588605888 -16.4773579730 12.7558375611 SOLV 674 0.0000000000 2055 677 TIP3 H2 10.3214505888 -15.1963479730 13.0831175611 SOLV 674 0.0000000000 2056 678 TIP3 OH2 13.4429305888 -6.6913979730 7.3105875611 SOLV 675 0.0000000000 2057 678 TIP3 H1 12.7314805888 -6.1564279730 6.9586375611 SOLV 675 0.0000000000 2058 678 TIP3 H2 14.1338905888 -6.6361879730 6.6504775611 SOLV 675 0.0000000000 2059 679 TIP3 OH2 13.4968505888 -8.2339679730 4.3490875611 SOLV 676 0.0000000000 2060 679 TIP3 H1 14.1978405888 -8.2112779730 5.0004875611 SOLV 676 0.0000000000 2061 679 TIP3 H2 13.7991405888 -8.8619979730 3.6930175611 SOLV 676 0.0000000000 2062 680 TIP3 OH2 8.4940705888 -5.8514479730 10.1446775611 SOLV 677 0.0000000000 2063 680 TIP3 H1 8.1635905888 -6.2221079730 9.3263775611 SOLV 677 0.0000000000 2064 680 TIP3 H2 9.0824805888 -6.5220479730 10.4915075611 SOLV 677 0.0000000000 2065 681 TIP3 OH2 9.8608205888 -2.4233879730 12.8258975611 SOLV 678 0.0000000000 2066 681 TIP3 H1 9.7659505888 -3.0020779730 12.0693575611 SOLV 678 0.0000000000 2067 681 TIP3 H2 10.5901805888 -2.7948179730 13.3221775611 SOLV 678 0.0000000000 2068 682 TIP3 OH2 8.8606205888 -7.0828879730 13.7781775611 SOLV 679 0.0000000000 2069 682 TIP3 H1 9.4258705888 -6.9614679730 13.0152975611 SOLV 679 0.0000000000 2070 682 TIP3 H2 9.1795105888 -6.4453879730 14.4170275611 SOLV 679 0.0000000000 2071 683 TIP3 OH2 15.1698405888 -1.5796979730 14.5122275611 SOLV 680 0.0000000000 2072 683 TIP3 H1 14.9295005888 -0.9173879730 15.1601475611 SOLV 680 0.0000000000 2073 683 TIP3 H2 14.9716605888 -2.4141779730 14.9371875611 SOLV 680 0.0000000000 2074 684 TIP3 OH2 13.4461405888 -0.5829279730 9.3826075611 SOLV 681 0.0000000000 2075 684 TIP3 H1 13.9199005888 -0.2872979730 10.1600275611 SOLV 681 0.0000000000 2076 684 TIP3 H2 12.8830705888 0.1552320270 9.1495675611 SOLV 681 0.0000000000 2077 685 TIP3 OH2 7.4843405888 -6.7820179730 7.7339575611 SOLV 682 0.0000000000 2078 685 TIP3 H1 7.1924705888 -6.0138479730 7.2430875611 SOLV 682 0.0000000000 2079 685 TIP3 H2 6.8098605888 -7.4413979730 7.5710975611 SOLV 682 0.0000000000 2080 686 TIP3 OH2 3.3276205888 -1.6387179730 13.4329575611 SOLV 683 0.0000000000 2081 686 TIP3 H1 4.2736805888 -1.7830179730 13.4139075611 SOLV 683 0.0000000000 2082 686 TIP3 H2 3.2152505888 -0.8544379730 13.9700775611 SOLV 683 0.0000000000 2083 687 TIP3 OH2 12.9184505888 2.3735420270 7.7975275611 SOLV 684 0.0000000000 2084 687 TIP3 H1 12.8430505888 2.2522620270 6.8510475611 SOLV 684 0.0000000000 2085 687 TIP3 H2 12.9513205888 3.3228120270 7.9159875611 SOLV 684 0.0000000000 2086 688 TIP3 OH2 6.5718305888 1.1622420270 9.5784275611 SOLV 685 0.0000000000 2087 688 TIP3 H1 6.7238705888 0.8142820270 10.4570775611 SOLV 685 0.0000000000 2088 688 TIP3 H2 5.7208705888 0.8059720270 9.3231475611 SOLV 685 0.0000000000 2089 689 TIP3 OH2 15.6888605888 1.4532720270 7.5489875611 SOLV 686 0.0000000000 2090 689 TIP3 H1 14.7538405888 1.5534620270 7.7276875611 SOLV 686 0.0000000000 2091 689 TIP3 H2 15.9690505888 0.7438720270 8.1273075611 SOLV 686 0.0000000000 2092 690 TIP3 OH2 8.4452005888 -14.6255079730 13.5876375611 SOLV 687 0.0000000000 2093 690 TIP3 H1 7.5835705888 -14.7126879730 13.1799275611 SOLV 687 0.0000000000 2094 690 TIP3 H2 8.4227705888 -13.7694979730 14.0153975611 SOLV 687 0.0000000000 2095 691 TIP3 OH2 12.7697105888 -12.4111279730 4.2474175611 SOLV 688 0.0000000000 2096 691 TIP3 H1 12.5161905888 -12.3919679730 5.1702275611 SOLV 688 0.0000000000 2097 691 TIP3 H2 12.5129205888 -13.2825879730 3.9460375611 SOLV 688 0.0000000000 2098 692 TIP3 OH2 8.5331205888 -9.4390479730 9.5946575611 SOLV 689 0.0000000000 2099 692 TIP3 H1 7.6404105888 -9.7794379730 9.5360375611 SOLV 689 0.0000000000 2100 692 TIP3 H2 8.9837805888 -9.8159579730 8.8389775611 SOLV 689 0.0000000000 2101 693 TIP3 OH2 14.0686705888 -9.0230179730 8.4117375611 SOLV 690 0.0000000000 2102 693 TIP3 H1 13.6597005888 -8.2081579730 8.1202175611 SOLV 690 0.0000000000 2103 693 TIP3 H2 14.7892905888 -9.1630079730 7.7974475611 SOLV 690 0.0000000000 2104 694 TIP3 OH2 15.0734405888 -9.5769779730 11.2257075611 SOLV 691 0.0000000000 2105 694 TIP3 H1 14.8778905888 -8.9712979730 10.5107675611 SOLV 691 0.0000000000 2106 694 TIP3 H2 15.2547005888 -10.4104579730 10.7913375611 SOLV 691 0.0000000000 2107 695 TIP3 OH2 9.6520005888 -11.9654779730 3.3484575611 SOLV 692 0.0000000000 2108 695 TIP3 H1 9.2210705888 -12.4104679730 4.0781975611 SOLV 692 0.0000000000 2109 695 TIP3 H2 8.9338705888 -11.5938479730 2.8362075611 SOLV 692 0.0000000000 2110 696 TIP3 OH2 2.8943405888 -12.2235279730 10.4003275611 SOLV 693 0.0000000000 2111 696 TIP3 H1 3.5251105888 -12.2523179730 11.1197175611 SOLV 693 0.0000000000 2112 696 TIP3 H2 3.3437705888 -12.6486579730 9.6699175611 SOLV 693 0.0000000000 2113 697 TIP3 OH2 11.1146505888 -12.0112979730 10.6810675611 SOLV 694 0.0000000000 2114 697 TIP3 H1 10.2037605888 -11.9546179730 10.9696675611 SOLV 694 0.0000000000 2115 697 TIP3 H2 11.6199405888 -12.0717479730 11.4917875611 SOLV 694 0.0000000000 2116 698 TIP3 OH2 5.9429905888 -10.3826679730 9.5078275611 SOLV 695 0.0000000000 2117 698 TIP3 H1 5.0537905888 -10.2831179730 9.1677875611 SOLV 695 0.0000000000 2118 698 TIP3 H2 6.2394805888 -11.2243679730 9.1616175611 SOLV 695 0.0000000000 2119 699 TIP3 OH2 9.5961705888 -10.3824079730 7.1642875611 SOLV 696 0.0000000000 2120 699 TIP3 H1 10.5277205888 -10.2534079730 7.3425975611 SOLV 696 0.0000000000 2121 699 TIP3 H2 9.3812005888 -9.7129779730 6.5147575611 SOLV 696 0.0000000000 2122 700 TIP3 OH2 15.5198405888 -12.7766679730 13.9452475611 SOLV 697 0.0000000000 2123 700 TIP3 H1 14.8430005888 -12.6453579730 14.6092175611 SOLV 697 0.0000000000 2124 700 TIP3 H2 15.0343305888 -12.9317179730 13.1350175611 SOLV 697 0.0000000000 2125 701 TIP3 OH2 8.2701905888 -9.1881879730 4.7308975611 SOLV 698 0.0000000000 2126 701 TIP3 H1 7.7277005888 -9.5678079730 4.0396575611 SOLV 698 0.0000000000 2127 701 TIP3 H2 9.1036805888 -8.9937179730 4.3023075611 SOLV 698 0.0000000000 2128 702 TIP3 OH2 7.4365905888 -13.0873879730 8.9865075611 SOLV 699 0.0000000000 2129 702 TIP3 H1 7.1195405888 -13.9898579730 8.9510475611 SOLV 699 0.0000000000 2130 702 TIP3 H2 8.2180005888 -13.0856479730 8.4336675611 SOLV 699 0.0000000000 2131 703 TIP3 OH2 11.0612105888 -10.8353879730 14.9820675611 SOLV 700 0.0000000000 2132 703 TIP3 H1 10.2257405888 -10.3814379730 15.0923075611 SOLV 700 0.0000000000 2133 703 TIP3 H2 11.5852705888 -10.5595379730 15.7340575611 SOLV 700 0.0000000000 2134 704 TIP3 OH2 11.6054705888 -4.6226179730 6.6667075611 SOLV 701 0.0000000000 2135 704 TIP3 H1 10.8605705888 -5.1300879730 6.3444975611 SOLV 701 0.0000000000 2136 704 TIP3 H2 11.4711905888 -4.5738179730 7.6131875611 SOLV 701 0.0000000000 2137 705 TIP3 OH2 15.5031505888 -11.8086279730 4.8659675611 SOLV 702 0.0000000000 2138 705 TIP3 H1 14.5645705888 -11.6970679730 4.7148475611 SOLV 702 0.0000000000 2139 705 TIP3 H2 15.8003605888 -10.9519379730 5.1725375611 SOLV 702 0.0000000000 2140 706 TIP3 OH2 6.7303005888 -5.3276179730 12.4364975611 SOLV 703 0.0000000000 2141 706 TIP3 H1 7.4750205888 -5.3300479730 11.8351475611 SOLV 703 0.0000000000 2142 706 TIP3 H2 6.8079605888 -6.1512379730 12.9180075611 SOLV 703 0.0000000000 2143 707 TIP3 OH2 13.7308805888 -3.1641879730 5.6921675611 SOLV 704 0.0000000000 2144 707 TIP3 H1 13.4357205888 -2.3373979730 6.0736475611 SOLV 704 0.0000000000 2145 707 TIP3 H2 13.0278805888 -3.7834979730 5.8883075611 SOLV 704 0.0000000000 2146 708 TIP3 OH2 9.1052405888 -1.8097979730 9.8406475611 SOLV 705 0.0000000000 2147 708 TIP3 H1 9.6324605888 -1.0363579730 9.6405275611 SOLV 705 0.0000000000 2148 708 TIP3 H2 8.2250905888 -1.5848779730 9.5390475611 SOLV 705 0.0000000000 2149 709 TIP3 OH2 4.8600105888 -6.9473879730 4.4278875611 SOLV 706 0.0000000000 2150 709 TIP3 H1 5.4760005888 -6.3206679730 4.8073675611 SOLV 706 0.0000000000 2151 709 TIP3 H2 3.9982705888 -6.6314079730 4.6995375611 SOLV 706 0.0000000000 2152 710 TIP3 OH2 10.5324705888 -4.1468079730 9.4170775611 SOLV 707 0.0000000000 2153 710 TIP3 H1 10.2914705888 -3.2213679730 9.4586075611 SOLV 707 0.0000000000 2154 710 TIP3 H2 9.7918305888 -4.6056779730 9.8134675611 SOLV 707 0.0000000000 2155 711 TIP3 OH2 11.0471305888 0.0025520270 15.7321875611 SOLV 708 0.0000000000 2156 711 TIP3 H1 11.4096005888 0.8571120270 15.4986275611 SOLV 708 0.0000000000 2157 711 TIP3 H2 11.5786505888 -0.2892879730 16.4728175611 SOLV 708 0.0000000000 2158 712 TIP3 OH2 9.2155505888 0.8749520270 8.9622975611 SOLV 709 0.0000000000 2159 712 TIP3 H1 8.2656005888 0.9806920270 9.0136275611 SOLV 709 0.0000000000 2160 712 TIP3 H2 9.5673605888 1.6956920270 9.3070475611 SOLV 709 0.0000000000 2161 713 TIP3 OH2 14.5912105888 -3.8983779730 15.4327475611 SOLV 710 0.0000000000 2162 713 TIP3 H1 14.1653405888 -4.1262079730 16.2591475611 SOLV 710 0.0000000000 2163 713 TIP3 H2 15.1717905888 -4.6371979730 15.2502775611 SOLV 710 0.0000000000 2164 714 TIP3 OH2 10.8848805888 -1.8577179730 2.9536475611 SOLV 711 0.0000000000 2165 714 TIP3 H1 11.1238605888 -2.6059079730 2.4065375611 SOLV 711 0.0000000000 2166 714 TIP3 H2 10.6160105888 -2.2455479730 3.7864275611 SOLV 711 0.0000000000 2167 715 TIP3 OH2 9.8219405888 -2.2873379730 5.4099075611 SOLV 712 0.0000000000 2168 715 TIP3 H1 9.9687405888 -2.8073579730 6.1999975611 SOLV 712 0.0000000000 2169 715 TIP3 H2 9.8191105888 -1.3805779730 5.7164975611 SOLV 712 0.0000000000 2170 716 TIP3 OH2 6.2750505888 -5.0350079730 5.9204475611 SOLV 713 0.0000000000 2171 716 TIP3 H1 5.5889805888 -4.6827579730 6.4874175611 SOLV 713 0.0000000000 2172 716 TIP3 H2 6.7978405888 -4.2720479730 5.6738775611 SOLV 713 0.0000000000 2173 717 TIP3 OH2 14.8910505888 -12.7204579730 7.2965775611 SOLV 714 0.0000000000 2174 717 TIP3 H1 15.1108805888 -12.2489179730 6.4931175611 SOLV 714 0.0000000000 2175 717 TIP3 H2 15.4494505888 -12.3261979730 7.9666375611 SOLV 714 0.0000000000 2176 718 TIP3 OH2 12.5596605888 -0.5899779730 6.1593275611 SOLV 715 0.0000000000 2177 718 TIP3 H1 11.7432705888 -0.0930079730 6.2117575611 SOLV 715 0.0000000000 2178 718 TIP3 H2 13.0892905888 -0.1146279730 5.5192075611 SOLV 715 0.0000000000 2179 719 TIP3 OH2 12.0910405888 -10.9925779730 8.1314175611 SOLV 716 0.0000000000 2180 719 TIP3 H1 12.9033005888 -10.4882579730 8.1775875611 SOLV 716 0.0000000000 2181 719 TIP3 H2 11.8463405888 -11.1376079730 9.0453775611 SOLV 716 0.0000000000 2182 720 TIP3 OH2 12.9747105888 -13.9112779730 9.0695275611 SOLV 717 0.0000000000 2183 720 TIP3 H1 12.6280605888 -13.2942179730 9.7139575611 SOLV 717 0.0000000000 2184 720 TIP3 H2 13.6334005888 -13.4107079730 8.5880775611 SOLV 717 0.0000000000 2185 721 TIP3 OH2 9.8979705888 0.4537420270 6.1410175611 SOLV 718 0.0000000000 2186 721 TIP3 H1 10.0588405888 1.2534920270 5.6402775611 SOLV 718 0.0000000000 2187 721 TIP3 H2 9.7007505888 0.7603420270 7.0260775611 SOLV 718 0.0000000000 2188 722 TIP3 OH2 8.6324105888 -12.8483379730 5.7567775611 SOLV 719 0.0000000000 2189 722 TIP3 H1 8.5488905888 -11.9600279730 6.1034175611 SOLV 719 0.0000000000 2190 722 TIP3 H2 9.5224405888 -13.1136679730 5.9884575611 SOLV 719 0.0000000000 2191 723 TIP3 OH2 6.8909405888 -2.4211179730 4.8172275611 SOLV 720 0.0000000000 2192 723 TIP3 H1 7.4830905888 -1.7216379730 5.0934675611 SOLV 720 0.0000000000 2193 723 TIP3 H2 7.3502405888 -2.8541679730 4.0976875611 SOLV 720 0.0000000000 2194 724 TIP3 OH2 6.0150605888 -14.9751579730 12.6062675611 SOLV 721 0.0000000000 2195 724 TIP3 H1 5.7860405888 -14.9159079730 11.6787675611 SOLV 721 0.0000000000 2196 724 TIP3 H2 5.5724005888 -15.7666079730 12.9126775611 SOLV 721 0.0000000000 2197 725 TIP3 OH2 4.9453905888 -1.0344479730 8.7668475611 SOLV 722 0.0000000000 2198 725 TIP3 H1 4.1132505888 -0.5621779730 8.7939875611 SOLV 722 0.0000000000 2199 725 TIP3 H2 5.4912205888 -0.5246879730 8.1681575611 SOLV 722 0.0000000000 2200 726 TIP3 OH2 12.9230605888 0.0054220270 3.0922475611 SOLV 723 0.0000000000 2201 726 TIP3 H1 12.2791605888 -0.6257179730 3.4136175611 SOLV 723 0.0000000000 2202 726 TIP3 H2 13.6848905888 -0.5257779730 2.8605975611 SOLV 723 0.0000000000 2203 727 TIP3 OH2 8.4820805888 -4.2680979730 3.1835375611 SOLV 724 0.0000000000 2204 727 TIP3 H1 8.5464905888 -5.0621379730 3.7141775611 SOLV 724 0.0000000000 2205 727 TIP3 H2 9.1350005888 -4.3868179730 2.4937375611 SOLV 724 0.0000000000 2206 728 TIP3 OH2 13.8344205888 -3.2209279730 2.9193375611 SOLV 725 0.0000000000 2207 728 TIP3 H1 13.5658305888 -3.0407179730 3.8202275611 SOLV 725 0.0000000000 2208 728 TIP3 H2 13.6279805888 -4.1463079730 2.7879175611 SOLV 725 0.0000000000 2209 729 TIP3 OH2 9.6314605888 -6.2954779730 5.4893375611 SOLV 726 0.0000000000 2210 729 TIP3 H1 9.1716605888 -6.7796479730 6.1751875611 SOLV 726 0.0000000000 2211 729 TIP3 H2 9.8863305888 -6.9639379730 4.8533875611 SOLV 726 0.0000000000 2212 730 TIP3 OH2 10.7025005888 -8.0522979730 3.7516575611 SOLV 727 0.0000000000 2213 730 TIP3 H1 10.5220005888 -8.2071779730 2.8244875611 SOLV 727 0.0000000000 2214 730 TIP3 H2 11.6525505888 -7.9444279730 3.7964475611 SOLV 727 0.0000000000 2215 731 TIP3 OH2 4.1681605888 -2.7255479730 4.2358275611 SOLV 728 0.0000000000 2216 731 TIP3 H1 5.0820805888 -2.6466579730 4.5092175611 SOLV 728 0.0000000000 2217 731 TIP3 H2 4.1754705888 -3.4125879730 3.5693875611 SOLV 728 0.0000000000 2218 732 TIP3 OH2 2.8172205888 2.6673020270 9.3132175611 SOLV 729 0.0000000000 2219 732 TIP3 H1 2.1699305888 2.2054720270 8.7803375611 SOLV 729 0.0000000000 2220 732 TIP3 H2 3.1716805888 1.9956320270 9.8958375611 SOLV 729 0.0000000000 2221 733 TIP3 OH2 3.6871405888 0.7480020270 11.1178375611 SOLV 730 0.0000000000 2222 733 TIP3 H1 3.3528205888 -0.1322679730 11.2898575611 SOLV 730 0.0000000000 2223 733 TIP3 H2 3.9093805888 1.0935020270 11.9823975611 SOLV 730 0.0000000000 2224 734 TIP3 OH2 3.7670905888 -6.1764579730 13.5693275611 SOLV 731 0.0000000000 2225 734 TIP3 H1 3.9513805888 -6.2582879730 12.6336175611 SOLV 731 0.0000000000 2226 734 TIP3 H2 4.6163805888 -6.3007579730 13.9929675611 SOLV 731 0.0000000000 2227 735 TIP3 OH2 4.5858205888 -12.5937979730 12.6014975611 SOLV 732 0.0000000000 2228 735 TIP3 H1 5.0309805888 -13.3855479730 12.9034675611 SOLV 732 0.0000000000 2229 735 TIP3 H2 5.0521205888 -11.8772779730 13.0320575611 SOLV 732 0.0000000000 2230 736 TIP3 OH2 2.8898505888 -9.5944979730 13.6705175611 SOLV 733 0.0000000000 2231 736 TIP3 H1 3.3818305888 -9.8154479730 12.8797175611 SOLV 733 0.0000000000 2232 736 TIP3 H2 3.2519405888 -8.7541579730 13.9514675611 SOLV 733 0.0000000000 2233 737 TIP3 OH2 3.2035005888 -13.3365879730 7.7247575611 SOLV 734 0.0000000000 2234 737 TIP3 H1 2.2783405888 -13.1279279730 7.5953075611 SOLV 734 0.0000000000 2235 737 TIP3 H2 3.6574905888 -12.8525079730 7.0349875611 SOLV 734 0.0000000000 2236 738 TIP3 OH2 8.1821905888 2.4076220270 15.5492375611 SOLV 735 0.0000000000 2237 738 TIP3 H1 7.3174105888 2.4794720270 15.9532475611 SOLV 735 0.0000000000 2238 738 TIP3 H2 8.1270905888 2.9543520270 14.7654875611 SOLV 735 0.0000000000 2239 739 TIP3 OH2 12.8927505888 2.2955120270 14.7248375611 SOLV 736 0.0000000000 2240 739 TIP3 H1 12.4361505888 2.8244820270 14.0706775611 SOLV 736 0.0000000000 2241 739 TIP3 H2 13.0555505888 2.8986520270 15.4500675611 SOLV 736 0.0000000000 2242 740 TIP3 OH2 15.2203805888 1.1734720270 15.6698675611 SOLV 737 0.0000000000 2243 740 TIP3 H1 14.3157505888 1.3384920270 15.4040775611 SOLV 737 0.0000000000 2244 740 TIP3 H2 15.6492405888 2.0266920270 15.6042075611 SOLV 737 0.0000000000 2245 741 TIP3 OH2 5.1297405888 1.4304820270 13.4296975611 SOLV 738 0.0000000000 2246 741 TIP3 H1 5.1113405888 1.0049920270 14.2869275611 SOLV 738 0.0000000000 2247 741 TIP3 H2 5.9345305888 1.1119820270 13.0209175611 SOLV 738 0.0000000000 2248 742 TIP3 OH2 7.2710505888 0.1403520270 12.0846875611 SOLV 739 0.0000000000 2249 742 TIP3 H1 7.0521205888 -0.7759079730 12.2542875611 SOLV 739 0.0000000000 2250 742 TIP3 H2 8.0952705888 0.2803920270 12.5508275611 SOLV 739 0.0000000000 2251 743 TIP3 OH2 9.8083005888 0.6102820270 12.9334875611 SOLV 740 0.0000000000 2252 743 TIP3 H1 10.0208705888 -0.2778179730 12.6465775611 SOLV 740 0.0000000000 2253 743 TIP3 H2 9.8728105888 0.5760520270 13.8878875611 SOLV 740 0.0000000000 2254 744 TIP3 OH2 13.3166705888 -13.7256579730 12.0778175611 SOLV 741 0.0000000000 2255 744 TIP3 H1 12.6423505888 -14.3550979730 12.3333975611 SOLV 741 0.0000000000 2256 744 TIP3 H2 13.8805905888 -14.2097679730 11.4746075611 SOLV 741 0.0000000000 2257 745 TIP3 OH2 5.6434205888 -15.0916279730 9.8998075611 SOLV 742 0.0000000000 2258 745 TIP3 H1 4.8664005888 -15.3261379730 9.3923975611 SOLV 742 0.0000000000 2259 745 TIP3 H2 6.1737805888 -15.8884179730 9.9086075611 SOLV 742 0.0000000000 2260 746 TIP3 OH2 4.4797605888 -15.2938179730 5.7034175611 SOLV 743 0.0000000000 2261 746 TIP3 H1 4.9188305888 -14.6827679730 5.1117675611 SOLV 743 0.0000000000 2262 746 TIP3 H2 3.8460005888 -14.7554079730 6.1774175611 SOLV 743 0.0000000000 2263 747 TIP3 OH2 10.2226805888 -15.1649179730 9.7131175611 SOLV 744 0.0000000000 2264 747 TIP3 H1 11.0970205888 -14.7764879730 9.6835475611 SOLV 744 0.0000000000 2265 747 TIP3 H2 10.0867605888 -15.3801379730 10.6358375611 SOLV 744 0.0000000000 2266 748 TIP3 OH2 15.7795205888 -15.1349379730 11.3622875611 SOLV 745 0.0000000000 2267 748 TIP3 H1 15.8556805888 -15.0397779730 10.4128875611 SOLV 745 0.0000000000 2268 748 TIP3 H2 15.5044405888 -16.0426479730 11.4911975611 SOLV 745 0.0000000000 2269 749 TIP3 OH2 11.3666805888 -13.0845179730 6.6028775611 SOLV 746 0.0000000000 2270 749 TIP3 H1 11.5448105888 -13.7311979730 7.2857375611 SOLV 746 0.0000000000 2271 749 TIP3 H2 11.3133005888 -12.2507479730 7.0699875611 SOLV 746 0.0000000000 2272 750 TIP3 OH2 13.2450605888 1.8638920270 4.9985475611 SOLV 747 0.0000000000 2273 750 TIP3 H1 14.1110805888 2.2306320270 4.8203675611 SOLV 747 0.0000000000 2274 750 TIP3 H2 12.9983405888 1.4246920270 4.1846275611 SOLV 747 0.0000000000 2275 751 TIP3 OH2 -4.1343194112 12.9206020270 9.8585575611 SOLV 748 0.0000000000 2276 751 TIP3 H1 -4.0452094112 13.8644220270 9.7262675611 SOLV 748 0.0000000000 2277 751 TIP3 H2 -4.7725594112 12.6452420270 9.2004975611 SOLV 748 0.0000000000 2278 752 TIP3 OH2 -12.8326894112 11.7898820270 14.8703675611 SOLV 749 0.0000000000 2279 752 TIP3 H1 -12.7914794112 11.1642120270 15.5936075611 SOLV 749 0.0000000000 2280 752 TIP3 H2 -12.1299194112 12.4137420270 15.0524075611 SOLV 749 0.0000000000 2281 753 TIP3 OH2 -14.5887194112 12.0619920270 10.9239575611 SOLV 750 0.0000000000 2282 753 TIP3 H1 -14.3753694112 11.2921520270 11.4512575611 SOLV 750 0.0000000000 2283 753 TIP3 H2 -13.8509594112 12.1516620270 10.3207175611 SOLV 750 0.0000000000 2284 754 TIP3 OH2 -6.8117494112 14.6078120270 13.6834775611 SOLV 751 0.0000000000 2285 754 TIP3 H1 -6.5079594112 13.9219520270 13.0888875611 SOLV 751 0.0000000000 2286 754 TIP3 H2 -6.0903494112 14.7266820270 14.3012775611 SOLV 751 0.0000000000 2287 755 TIP3 OH2 1.8512305888 6.2093420270 14.5440975611 SOLV 752 0.0000000000 2288 755 TIP3 H1 1.9004505888 6.8194620270 15.2800075611 SOLV 752 0.0000000000 2289 755 TIP3 H2 2.2767405888 6.6704320270 13.8212075611 SOLV 752 0.0000000000 2290 756 TIP3 OH2 -10.5162194112 7.1036920270 11.2834375611 SOLV 753 0.0000000000 2291 756 TIP3 H1 -10.4731094112 7.9635420270 10.8650675611 SOLV 753 0.0000000000 2292 756 TIP3 H2 -10.9738094112 6.5511620270 10.6497575611 SOLV 753 0.0000000000 2293 757 TIP3 OH2 -2.7939494112 7.2342520270 9.6842675611 SOLV 754 0.0000000000 2294 757 TIP3 H1 -2.1475194112 6.9055720270 10.3090275611 SOLV 754 0.0000000000 2295 757 TIP3 H2 -2.2840094112 7.7521520270 9.0614075611 SOLV 754 0.0000000000 2296 758 TIP3 OH2 -13.8960694112 9.5002720270 12.0455775611 SOLV 755 0.0000000000 2297 758 TIP3 H1 -13.2424094112 8.9504420270 12.4775875611 SOLV 755 0.0000000000 2298 758 TIP3 H2 -13.8721394112 9.2261720270 11.1287775611 SOLV 755 0.0000000000 2299 759 TIP3 OH2 -8.7396194112 11.0504020270 11.2607275611 SOLV 756 0.0000000000 2300 759 TIP3 H1 -8.1235194112 10.5239420270 11.7701275611 SOLV 756 0.0000000000 2301 759 TIP3 H2 -9.3257394112 10.4102720270 10.8570875611 SOLV 756 0.0000000000 2302 760 TIP3 OH2 -11.7060294112 6.0215320270 15.3575175611 SOLV 757 0.0000000000 2303 760 TIP3 H1 -11.9248594112 6.5515920270 14.5911175611 SOLV 757 0.0000000000 2304 760 TIP3 H2 -12.3739394112 6.2480820270 16.0046575611 SOLV 757 0.0000000000 2305 761 TIP3 OH2 -4.3370494112 15.5216420270 8.9014275611 SOLV 758 0.0000000000 2306 761 TIP3 H1 -4.6325394112 15.1988720270 8.0501175611 SOLV 758 0.0000000000 2307 761 TIP3 H2 -4.6612694112 16.4213120270 8.9426875611 SOLV 758 0.0000000000 2308 762 TIP3 OH2 -9.1368894112 13.6971020270 15.6448875611 SOLV 759 0.0000000000 2309 762 TIP3 H1 -9.8769794112 14.2952520270 15.7484075611 SOLV 759 0.0000000000 2310 762 TIP3 H2 -8.4229394112 14.2510620270 15.3292475611 SOLV 759 0.0000000000 2311 763 TIP3 OH2 -1.0301094112 6.5251820270 11.6648575611 SOLV 760 0.0000000000 2312 763 TIP3 H1 -1.2453094112 5.7595220270 12.1974575611 SOLV 760 0.0000000000 2313 763 TIP3 H2 -0.3743694112 6.9976420270 12.1777075611 SOLV 760 0.0000000000 2314 764 TIP3 OH2 -12.1122994112 7.9137120270 13.3097375611 SOLV 761 0.0000000000 2315 764 TIP3 H1 -11.4986694112 8.5464720270 13.6829775611 SOLV 761 0.0000000000 2316 764 TIP3 H2 -11.6002294112 7.4412120270 12.6534275611 SOLV 761 0.0000000000 2317 765 TIP3 OH2 -14.6083694112 15.3321920270 7.2139675611 SOLV 762 0.0000000000 2318 765 TIP3 H1 -14.8802794112 15.5612920270 6.3252575611 SOLV 762 0.0000000000 2319 765 TIP3 H2 -14.5627994112 16.1700720270 7.6744975611 SOLV 762 0.0000000000 2320 766 TIP3 OH2 -0.6826994112 5.2403120270 15.3442075611 SOLV 763 0.0000000000 2321 766 TIP3 H1 -1.4187794112 5.8510220270 15.3063375611 SOLV 763 0.0000000000 2322 766 TIP3 H2 0.0007005888 5.6552120270 14.8178475611 SOLV 763 0.0000000000 2323 767 TIP3 OH2 -5.4130694112 12.1646020270 7.3105875611 SOLV 764 0.0000000000 2324 767 TIP3 H1 -6.1245194112 12.6995720270 6.9586375611 SOLV 764 0.0000000000 2325 767 TIP3 H2 -4.7221094112 12.2198120270 6.6504775611 SOLV 764 0.0000000000 2326 768 TIP3 OH2 -5.3591494112 10.6220320270 4.3490875611 SOLV 765 0.0000000000 2327 768 TIP3 H1 -4.6581594112 10.6447220270 5.0004875611 SOLV 765 0.0000000000 2328 768 TIP3 H2 -5.0568594112 9.9940020270 3.6930175611 SOLV 765 0.0000000000 2329 769 TIP3 OH2 1.9563205888 11.5424520270 15.6040275611 SOLV 766 0.0000000000 2330 769 TIP3 H1 1.3037305888 12.2370120270 15.6931175611 SOLV 766 0.0000000000 2331 769 TIP3 H2 2.4213505888 11.7525420270 14.7941875611 SOLV 766 0.0000000000 2332 770 TIP3 OH2 -2.0072994112 12.3739320270 8.2621775611 SOLV 767 0.0000000000 2333 770 TIP3 H1 -2.7391994112 12.6023020270 8.8352375611 SOLV 767 0.0000000000 2334 770 TIP3 H2 -1.5600794112 11.6602020270 8.7169275611 SOLV 767 0.0000000000 2335 771 TIP3 OH2 -10.3619294112 13.0045520270 10.1446775611 SOLV 768 0.0000000000 2336 771 TIP3 H1 -10.6924094112 12.6338920270 9.3263775611 SOLV 768 0.0000000000 2337 771 TIP3 H2 -9.7735194112 12.3339520270 10.4915075611 SOLV 768 0.0000000000 2338 772 TIP3 OH2 -9.9953794112 11.7731120270 13.7781775611 SOLV 769 0.0000000000 2339 772 TIP3 H1 -9.4301294112 11.8945320270 13.0152975611 SOLV 769 0.0000000000 2340 772 TIP3 H2 -9.6764894112 12.4106120270 14.4170275611 SOLV 769 0.0000000000 2341 773 TIP3 OH2 -3.1363494112 11.5362220270 5.9472975611 SOLV 770 0.0000000000 2342 773 TIP3 H1 -2.5567994112 11.6862520270 6.6941875611 SOLV 770 0.0000000000 2343 773 TIP3 H2 -2.7223494112 12.0069620270 5.2239375611 SOLV 770 0.0000000000 2344 774 TIP3 OH2 0.5624905888 3.2862620270 5.7602675611 SOLV 771 0.0000000000 2345 774 TIP3 H1 -0.3374394112 3.4251620270 6.0553275611 SOLV 771 0.0000000000 2346 774 TIP3 H2 0.8143305888 4.1177220270 5.3584375611 SOLV 771 0.0000000000 2347 775 TIP3 OH2 -11.3716594112 12.0739820270 7.7339575611 SOLV 772 0.0000000000 2348 775 TIP3 H1 -11.6635294112 12.8421520270 7.2430875611 SOLV 772 0.0000000000 2349 775 TIP3 H2 -12.0461394112 11.4146020270 7.5710975611 SOLV 772 0.0000000000 2350 776 TIP3 OH2 -10.4107994112 4.2304920270 13.5876375611 SOLV 773 0.0000000000 2351 776 TIP3 H1 -11.2724294112 4.1433120270 13.1799275611 SOLV 773 0.0000000000 2352 776 TIP3 H2 -10.4332294112 5.0865020270 14.0153975611 SOLV 773 0.0000000000 2353 777 TIP3 OH2 -1.6590394112 12.5690520270 3.5770875611 SOLV 774 0.0000000000 2354 777 TIP3 H1 -1.6169594112 12.3464420270 2.6470875611 SOLV 774 0.0000000000 2355 777 TIP3 H2 -0.8098294112 12.9677620270 3.7670775611 SOLV 774 0.0000000000 2356 778 TIP3 OH2 -6.0862894112 6.4448720270 4.2474175611 SOLV 775 0.0000000000 2357 778 TIP3 H1 -6.3398094112 6.4640320270 5.1702275611 SOLV 775 0.0000000000 2358 778 TIP3 H2 -6.3430794112 5.5734120270 3.9460375611 SOLV 775 0.0000000000 2359 779 TIP3 OH2 -10.3197894112 9.1959420270 14.6826575611 SOLV 776 0.0000000000 2360 779 TIP3 H1 -10.9615794112 9.1556720270 15.3916675611 SOLV 776 0.0000000000 2361 779 TIP3 H2 -10.2825894112 10.1224120270 14.4449575611 SOLV 776 0.0000000000 2362 780 TIP3 OH2 -10.3228794112 9.4169520270 9.5946575611 SOLV 777 0.0000000000 2363 780 TIP3 H1 -11.2155894112 9.0765620270 9.5360375611 SOLV 777 0.0000000000 2364 780 TIP3 H2 -9.8722194112 9.0400420270 8.8389775611 SOLV 777 0.0000000000 2365 781 TIP3 OH2 -4.7873294112 9.8329820270 8.4117375611 SOLV 778 0.0000000000 2366 781 TIP3 H1 -5.1962994112 10.6478420270 8.1202175611 SOLV 778 0.0000000000 2367 781 TIP3 H2 -4.0667094112 9.6929920270 7.7974475611 SOLV 778 0.0000000000 2368 782 TIP3 OH2 -9.2039994112 6.8905220270 3.3484575611 SOLV 779 0.0000000000 2369 782 TIP3 H1 -9.6349294112 6.4455320270 4.0781975611 SOLV 779 0.0000000000 2370 782 TIP3 H2 -9.9221294112 7.2621520270 2.8362075611 SOLV 779 0.0000000000 2371 783 TIP3 OH2 -15.9616594112 6.6324720270 10.4003275611 SOLV 780 0.0000000000 2372 783 TIP3 H1 -15.3308894112 6.6036820270 11.1197175611 SOLV 780 0.0000000000 2373 783 TIP3 H2 -15.5122294112 6.2073420270 9.6699175611 SOLV 780 0.0000000000 2374 784 TIP3 OH2 -14.6874494112 7.3786720270 5.8243675611 SOLV 781 0.0000000000 2375 784 TIP3 H1 -14.2132794112 7.9696620270 5.2394575611 SOLV 781 0.0000000000 2376 784 TIP3 H2 -15.4048094112 7.9089620270 6.1713775611 SOLV 781 0.0000000000 2377 785 TIP3 OH2 -4.5186394112 10.9171520270 15.8969475611 SOLV 782 0.0000000000 2378 785 TIP3 H1 -4.1951594112 10.2861220270 15.2539975611 SOLV 782 0.0000000000 2379 785 TIP3 H2 -4.9587094112 10.3823720270 16.5576875611 SOLV 782 0.0000000000 2380 786 TIP3 OH2 -7.7413494112 6.8447020270 10.6810675611 SOLV 783 0.0000000000 2381 786 TIP3 H1 -8.6522394112 6.9013820270 10.9696675611 SOLV 783 0.0000000000 2382 786 TIP3 H2 -7.2360594112 6.7842520270 11.4917875611 SOLV 783 0.0000000000 2383 787 TIP3 OH2 -12.9130094112 8.4733320270 9.5078275611 SOLV 784 0.0000000000 2384 787 TIP3 H1 -13.8022094112 8.5728820270 9.1677875611 SOLV 784 0.0000000000 2385 787 TIP3 H2 -12.6165194112 7.6316320270 9.1616175611 SOLV 784 0.0000000000 2386 788 TIP3 OH2 -9.2598294112 8.4735920270 7.1642875611 SOLV 785 0.0000000000 2387 788 TIP3 H1 -8.3282794112 8.6025920270 7.3425975611 SOLV 785 0.0000000000 2388 788 TIP3 H2 -9.4747994112 9.1430220270 6.5147575611 SOLV 785 0.0000000000 2389 789 TIP3 OH2 -3.3361594112 6.0793320270 13.9452475611 SOLV 786 0.0000000000 2390 789 TIP3 H1 -4.0129994112 6.2106420270 14.6092175611 SOLV 786 0.0000000000 2391 789 TIP3 H2 -3.8216694112 5.9242820270 13.1350175611 SOLV 786 0.0000000000 2392 790 TIP3 OH2 -10.5858094112 9.6678120270 4.7308975611 SOLV 787 0.0000000000 2393 790 TIP3 H1 -11.1282994112 9.2881920270 4.0396575611 SOLV 787 0.0000000000 2394 790 TIP3 H2 -9.7523194112 9.8622820270 4.3023075611 SOLV 787 0.0000000000 2395 791 TIP3 OH2 -11.4194094112 5.7686120270 8.9865075611 SOLV 788 0.0000000000 2396 791 TIP3 H1 -11.7364594112 4.8661420270 8.9510475611 SOLV 788 0.0000000000 2397 791 TIP3 H2 -10.6379994112 5.7703520270 8.4336675611 SOLV 788 0.0000000000 2398 792 TIP3 OH2 -7.7947894112 8.0206120270 14.9820675611 SOLV 789 0.0000000000 2399 792 TIP3 H1 -8.6302594112 8.4745620270 15.0923075611 SOLV 789 0.0000000000 2400 792 TIP3 H2 -7.2707294112 8.2964620270 15.7340575611 SOLV 789 0.0000000000 2401 793 TIP3 OH2 -7.2505294112 14.2333820270 6.6667075611 SOLV 790 0.0000000000 2402 793 TIP3 H1 -7.9954294112 13.7259120270 6.3444975611 SOLV 790 0.0000000000 2403 793 TIP3 H2 -7.3848094112 14.2821820270 7.6131875611 SOLV 790 0.0000000000 2404 794 TIP3 OH2 -0.1006394112 13.3662020270 15.4534675611 SOLV 791 0.0000000000 2405 794 TIP3 H1 0.5412405888 13.8228320270 14.9096875611 SOLV 791 0.0000000000 2406 794 TIP3 H2 -0.9309494112 13.4794420270 14.9908775611 SOLV 791 0.0000000000 2407 795 TIP3 OH2 -3.3528494112 7.0473720270 4.8659675611 SOLV 792 0.0000000000 2408 795 TIP3 H1 -4.2914294112 7.1589320270 4.7148475611 SOLV 792 0.0000000000 2409 795 TIP3 H2 -3.0556394112 7.9040620270 5.1725375611 SOLV 792 0.0000000000 2410 796 TIP3 OH2 -2.6344994112 8.9146420270 6.5267075611 SOLV 793 0.0000000000 2411 796 TIP3 H1 -1.7425994112 8.7771420270 6.8458275611 SOLV 793 0.0000000000 2412 796 TIP3 H2 -2.5781394112 9.7052520270 5.9900575611 SOLV 793 0.0000000000 2413 797 TIP3 OH2 -12.1256994112 13.5283820270 12.4364975611 SOLV 794 0.0000000000 2414 797 TIP3 H1 -11.3809794112 13.5259520270 11.8351475611 SOLV 794 0.0000000000 2415 797 TIP3 H2 -12.0480394112 12.7047620270 12.9180075611 SOLV 794 0.0000000000 2416 798 TIP3 OH2 -5.1251194112 15.6918120270 5.6921675611 SOLV 795 0.0000000000 2417 798 TIP3 H1 -5.4202794112 16.5186020270 6.0736475611 SOLV 795 0.0000000000 2418 798 TIP3 H2 -5.8281194112 15.0725020270 5.8883075611 SOLV 795 0.0000000000 2419 799 TIP3 OH2 2.2503705888 9.1240520270 6.2213775611 SOLV 796 0.0000000000 2420 799 TIP3 H1 1.6960005888 8.7278520270 5.5491275611 SOLV 796 0.0000000000 2421 799 TIP3 H2 2.3507305888 10.0345720270 5.9437075611 SOLV 796 0.0000000000 2422 800 TIP3 OH2 -2.2940694112 12.7180420270 13.7077775611 SOLV 797 0.0000000000 2423 800 TIP3 H1 -3.2223794112 12.4862320270 13.6807075611 SOLV 797 0.0000000000 2424 800 TIP3 H2 -1.8429594112 11.9410220270 13.3776575611 SOLV 797 0.0000000000 2425 801 TIP3 OH2 -8.3235294112 14.7091920270 9.4170775611 SOLV 798 0.0000000000 2426 801 TIP3 H1 -8.5645294112 15.6346320270 9.4586075611 SOLV 798 0.0000000000 2427 801 TIP3 H2 -9.0641694112 14.2503220270 9.8134675611 SOLV 798 0.0000000000 2428 802 TIP3 OH2 -4.2647894112 14.9576220270 15.4327475611 SOLV 799 0.0000000000 2429 802 TIP3 H1 -4.6906594112 14.7297920270 16.2591475611 SOLV 799 0.0000000000 2430 802 TIP3 H2 -3.6842094112 14.2188020270 15.2502775611 SOLV 799 0.0000000000 2431 803 TIP3 OH2 -2.0618994112 15.8866720270 4.5066475611 SOLV 800 0.0000000000 2432 803 TIP3 H1 -1.7085894112 15.5066520270 5.3109975611 SOLV 800 0.0000000000 2433 803 TIP3 H2 -3.0105494112 15.7931520270 4.5935775611 SOLV 800 0.0000000000 2434 804 TIP3 OH2 -1.1959694112 14.5588720270 6.7334375611 SOLV 801 0.0000000000 2435 804 TIP3 H1 -1.4732094112 13.8308020270 7.2895475611 SOLV 801 0.0000000000 2436 804 TIP3 H2 -0.2686694112 14.6780720270 6.9386975611 SOLV 801 0.0000000000 2437 805 TIP3 OH2 -12.5809494112 13.8209920270 5.9204475611 SOLV 802 0.0000000000 2438 805 TIP3 H1 -13.2670194112 14.1732420270 6.4874175611 SOLV 802 0.0000000000 2439 805 TIP3 H2 -12.0581594112 14.5839520270 5.6738775611 SOLV 802 0.0000000000 2440 806 TIP3 OH2 -3.9649494112 6.1355420270 7.2965775611 SOLV 803 0.0000000000 2441 806 TIP3 H1 -3.7451194112 6.6070820270 6.4931175611 SOLV 803 0.0000000000 2442 806 TIP3 H2 -3.4065494112 6.5298020270 7.9666375611 SOLV 803 0.0000000000 2443 807 TIP3 OH2 -6.7649594112 7.8634220270 8.1314175611 SOLV 804 0.0000000000 2444 807 TIP3 H1 -5.9526994112 8.3677420270 8.1775875611 SOLV 804 0.0000000000 2445 807 TIP3 H2 -7.0096594112 7.7183920270 9.0453775611 SOLV 804 0.0000000000 2446 808 TIP3 OH2 -5.8812894112 4.9447220270 9.0695275611 SOLV 805 0.0000000000 2447 808 TIP3 H1 -6.2279394112 5.5617820270 9.7139575611 SOLV 805 0.0000000000 2448 808 TIP3 H2 -5.2225994112 5.4452920270 8.5880775611 SOLV 805 0.0000000000 2449 809 TIP3 OH2 -10.2235894112 6.0076620270 5.7567775611 SOLV 806 0.0000000000 2450 809 TIP3 H1 -10.3071094112 6.8959720270 6.1034175611 SOLV 806 0.0000000000 2451 809 TIP3 H2 -9.3335594112 5.7423320270 5.9884575611 SOLV 806 0.0000000000 2452 810 TIP3 OH2 -1.4226394112 10.5068220270 12.2467775611 SOLV 807 0.0000000000 2453 810 TIP3 H1 -2.2201994112 10.0918420270 11.9182775611 SOLV 807 0.0000000000 2454 810 TIP3 H2 -0.9775294112 9.8161920270 12.7378275611 SOLV 807 0.0000000000 2455 811 TIP3 OH2 -13.6491394112 9.0991820270 3.9331675611 SOLV 808 0.0000000000 2456 811 TIP3 H1 -13.6938794112 10.0384920270 4.1118675611 SOLV 808 0.0000000000 2457 811 TIP3 H2 -14.5368194112 8.8636720270 3.6633775611 SOLV 808 0.0000000000 2458 812 TIP3 OH2 -12.8409394112 3.8808420270 12.6062675611 SOLV 809 0.0000000000 2459 812 TIP3 H1 -13.0699594112 3.9400920270 11.6787675611 SOLV 809 0.0000000000 2460 812 TIP3 H2 -13.2835994112 3.0893920270 12.9126775611 SOLV 809 0.0000000000 2461 813 TIP3 OH2 -10.3739194112 14.5879020270 3.1835375611 SOLV 810 0.0000000000 2462 813 TIP3 H1 -10.3095094112 13.7938620270 3.7141775611 SOLV 810 0.0000000000 2463 813 TIP3 H2 -9.7209994112 14.4691820270 2.4937375611 SOLV 810 0.0000000000 2464 814 TIP3 OH2 -5.0215794112 15.6350720270 2.9193375611 SOLV 811 0.0000000000 2465 814 TIP3 H1 -5.2901694112 15.8152820270 3.8202275611 SOLV 811 0.0000000000 2466 814 TIP3 H2 -5.2280194112 14.7096920270 2.7879175611 SOLV 811 0.0000000000 2467 815 TIP3 OH2 -9.2245394112 12.5605220270 5.4893375611 SOLV 812 0.0000000000 2468 815 TIP3 H1 -9.6843394112 12.0763520270 6.1751875611 SOLV 812 0.0000000000 2469 815 TIP3 H2 -8.9696694112 11.8920620270 4.8533875611 SOLV 812 0.0000000000 2470 816 TIP3 OH2 -8.1534994112 10.8037020270 3.7516575611 SOLV 813 0.0000000000 2471 816 TIP3 H1 -8.3339994112 10.6488220270 2.8244875611 SOLV 813 0.0000000000 2472 816 TIP3 H2 -7.2034494112 10.9115720270 3.7964475611 SOLV 813 0.0000000000 2473 817 TIP3 OH2 1.2363305888 13.1581220270 3.1974675611 SOLV 814 0.0000000000 2474 817 TIP3 H1 0.9628105888 12.7336720270 2.3842975611 SOLV 814 0.0000000000 2475 817 TIP3 H2 1.2757405888 14.0895720270 2.9805075611 SOLV 814 0.0000000000 2476 818 TIP3 OH2 1.6946105888 14.0269320270 7.1725075611 SOLV 815 0.0000000000 2477 818 TIP3 H1 2.5447505888 14.4480220270 7.2996675611 SOLV 815 0.0000000000 2478 818 TIP3 H2 1.7001205888 13.2869420270 7.7796475611 SOLV 815 0.0000000000 2479 819 TIP3 OH2 2.0891705888 12.0806720270 8.9960775611 SOLV 816 0.0000000000 2480 819 TIP3 H1 1.3626305888 11.6009320270 9.3938375611 SOLV 816 0.0000000000 2481 819 TIP3 H2 2.6705005888 12.2861420270 9.7282375611 SOLV 816 0.0000000000 2482 820 TIP3 OH2 1.8482905888 14.8654220270 13.9438375611 SOLV 817 0.0000000000 2483 820 TIP3 H1 2.6817105888 14.4874220270 13.6631975611 SOLV 817 0.0000000000 2484 820 TIP3 H2 1.9603205888 15.8085420270 13.8247475611 SOLV 817 0.0000000000 2485 821 TIP3 OH2 2.3574805888 11.9815220270 5.3872075611 SOLV 818 0.0000000000 2486 821 TIP3 H1 1.8355905888 12.3379320270 4.6682975611 SOLV 818 0.0000000000 2487 821 TIP3 H2 2.3244005888 12.6563020270 6.0652975611 SOLV 818 0.0000000000 2488 822 TIP3 OH2 -0.1241494112 10.6013220270 9.5589475611 SOLV 819 0.0000000000 2489 822 TIP3 H1 -0.2742694112 9.6561820270 9.5387275611 SOLV 819 0.0000000000 2490 822 TIP3 H2 -0.4776994112 10.8824620270 10.4028575611 SOLV 819 0.0000000000 2491 823 TIP3 OH2 -15.0889094112 12.6795420270 13.5693275611 SOLV 820 0.0000000000 2492 823 TIP3 H1 -14.9046194112 12.5977120270 12.6336175611 SOLV 820 0.0000000000 2493 823 TIP3 H2 -14.2396194112 12.5552420270 13.9929675611 SOLV 820 0.0000000000 2494 824 TIP3 OH2 -0.4136694112 8.1839020270 8.0214575611 SOLV 821 0.0000000000 2495 824 TIP3 H1 -0.1339594112 7.2769420270 8.1456275611 SOLV 821 0.0000000000 2496 824 TIP3 H2 0.3455005888 8.6180520270 7.6323775611 SOLV 821 0.0000000000 2497 825 TIP3 OH2 0.1981605888 8.7656420270 13.4573475611 SOLV 822 0.0000000000 2498 825 TIP3 H1 1.1309605888 8.9776320270 13.4229475611 SOLV 822 0.0000000000 2499 825 TIP3 H2 -0.0370894112 8.8668520270 14.3796475611 SOLV 822 0.0000000000 2500 826 TIP3 OH2 0.1998105888 5.4468320270 8.0696575611 SOLV 823 0.0000000000 2501 826 TIP3 H1 0.3823105888 4.9979820270 8.8951575611 SOLV 823 0.0000000000 2502 826 TIP3 H2 -0.3998994112 4.8622720270 7.6061175611 SOLV 823 0.0000000000 2503 827 TIP3 OH2 -14.2701794112 6.2622020270 12.6014975611 SOLV 824 0.0000000000 2504 827 TIP3 H1 -13.8250194112 5.4704520270 12.9034675611 SOLV 824 0.0000000000 2505 827 TIP3 H2 -13.8038794112 6.9787220270 13.0320575611 SOLV 824 0.0000000000 2506 828 TIP3 OH2 -15.9661494112 9.2615020270 13.6705175611 SOLV 825 0.0000000000 2507 828 TIP3 H1 -15.4741694112 9.0405520270 12.8797175611 SOLV 825 0.0000000000 2508 828 TIP3 H2 -15.6040594112 10.1018420270 13.9514675611 SOLV 825 0.0000000000 2509 829 TIP3 OH2 -15.6524994112 5.5194120270 7.7247575611 SOLV 826 0.0000000000 2510 829 TIP3 H1 -16.5776594112 5.7280720270 7.5953075611 SOLV 826 0.0000000000 2511 829 TIP3 H2 -15.1985094112 6.0034920270 7.0349875611 SOLV 826 0.0000000000 2512 830 TIP3 OH2 -0.3966094112 3.2377420270 12.1905275611 SOLV 827 0.0000000000 2513 830 TIP3 H1 0.2071505888 3.7852820270 11.6886275611 SOLV 827 0.0000000000 2514 830 TIP3 H2 -1.2664094112 3.5567820270 11.9499375611 SOLV 827 0.0000000000 2515 831 TIP3 OH2 1.3304305888 4.3766120270 10.5236175611 SOLV 828 0.0000000000 2516 831 TIP3 H1 1.9421805888 3.8621820270 9.9969775611 SOLV 828 0.0000000000 2517 831 TIP3 H2 1.7127705888 5.2538220270 10.5470575611 SOLV 828 0.0000000000 2518 832 TIP3 OH2 -13.2125794112 3.7643720270 9.8998075611 SOLV 829 0.0000000000 2519 832 TIP3 H1 -13.9895994112 3.5298620270 9.3923975611 SOLV 829 0.0000000000 2520 832 TIP3 H2 -12.6822194112 2.9675820270 9.9086075611 SOLV 829 0.0000000000 2521 833 TIP3 OH2 -14.3762394112 3.5621820270 5.7034175611 SOLV 830 0.0000000000 2522 833 TIP3 H1 -13.9371694112 4.1732320270 5.1117675611 SOLV 830 0.0000000000 2523 833 TIP3 H2 -15.0099994112 4.1005920270 6.1774175611 SOLV 830 0.0000000000 2524 834 TIP3 OH2 -8.6333194112 3.6910820270 9.7131175611 SOLV 831 0.0000000000 2525 834 TIP3 H1 -7.7589794112 4.0795120270 9.6835475611 SOLV 831 0.0000000000 2526 834 TIP3 H2 -8.7692394112 3.4758620270 10.6358375611 SOLV 831 0.0000000000 2527 835 TIP3 OH2 -3.0764794112 3.7210620270 11.3622875611 SOLV 832 0.0000000000 2528 835 TIP3 H1 -3.0003194112 3.8162220270 10.4128875611 SOLV 832 0.0000000000 2529 835 TIP3 H2 -3.3515594112 2.8133520270 11.4911975611 SOLV 832 0.0000000000 2530 836 TIP3 OH2 -1.7232194112 3.7468420270 7.0547875611 SOLV 833 0.0000000000 2531 836 TIP3 H1 -2.4261094112 4.3617620270 6.8449275611 SOLV 833 0.0000000000 2532 836 TIP3 H2 -2.1680794112 2.9095120270 7.1858775611 SOLV 833 0.0000000000 2533 837 TIP3 OH2 -12.5153294112 5.4783320270 4.1458275611 SOLV 834 0.0000000000 2534 837 TIP3 H1 -12.0239894112 4.8485720270 3.6183775611 SOLV 834 0.0000000000 2535 837 TIP3 H2 -11.8916994112 5.7742720270 4.8089475611 SOLV 834 0.0000000000 2536 838 TIP3 OH2 -7.4893194112 5.7714820270 6.6028775611 SOLV 835 0.0000000000 2537 838 TIP3 H1 -7.3111894112 5.1248020270 7.2857375611 SOLV 835 0.0000000000 2538 838 TIP3 H2 -7.5426994112 6.6052520270 7.0699875611 SOLV 835 0.0000000000 2539 839 TIP3 OH2 14.7216805888 12.9206020270 9.8585575611 SOLV 836 0.0000000000 2540 839 TIP3 H1 14.8107905888 13.8644220270 9.7262675611 SOLV 836 0.0000000000 2541 839 TIP3 H2 14.0834405888 12.6452420270 9.2004975611 SOLV 836 0.0000000000 2542 840 TIP3 OH2 13.6548105888 12.1756720270 13.2773775611 SOLV 837 0.0000000000 2543 840 TIP3 H1 13.6165605888 11.5293020270 13.9823375611 SOLV 837 0.0000000000 2544 840 TIP3 H2 13.3324605888 11.7091120270 12.5062475611 SOLV 837 0.0000000000 2545 841 TIP3 OH2 6.0233105888 11.7898820270 14.8703675611 SOLV 838 0.0000000000 2546 841 TIP3 H1 6.0645205888 11.1642120270 15.5936075611 SOLV 838 0.0000000000 2547 841 TIP3 H2 6.7260805888 12.4137420270 15.0524075611 SOLV 838 0.0000000000 2548 842 TIP3 OH2 3.5566705888 9.9000320270 8.7981575611 SOLV 839 0.0000000000 2549 842 TIP3 H1 3.1090105888 10.7459020270 8.7798075611 SOLV 839 0.0000000000 2550 842 TIP3 H2 2.9957905888 9.3204520270 8.2826675611 SOLV 839 0.0000000000 2551 843 TIP3 OH2 4.2672805888 12.0619920270 10.9239575611 SOLV 840 0.0000000000 2552 843 TIP3 H1 4.4806305888 11.2921520270 11.4512575611 SOLV 840 0.0000000000 2553 843 TIP3 H2 5.0050405888 12.1516620270 10.3207175611 SOLV 840 0.0000000000 2554 844 TIP3 OH2 12.0442505888 14.6078120270 13.6834775611 SOLV 841 0.0000000000 2555 844 TIP3 H1 12.3480405888 13.9219520270 13.0888875611 SOLV 841 0.0000000000 2556 844 TIP3 H2 12.7656505888 14.7266820270 14.3012775611 SOLV 841 0.0000000000 2557 845 TIP3 OH2 15.1849505888 9.0020520270 14.0109575611 SOLV 842 0.0000000000 2558 845 TIP3 H1 15.3275405888 8.0557520270 14.0311175611 SOLV 842 0.0000000000 2559 845 TIP3 H2 15.0788505888 9.2090320270 13.0824475611 SOLV 842 0.0000000000 2560 846 TIP3 OH2 8.3397805888 7.1036920270 11.2834375611 SOLV 843 0.0000000000 2561 846 TIP3 H1 8.3828905888 7.9635420270 10.8650675611 SOLV 843 0.0000000000 2562 846 TIP3 H2 7.8821905888 6.5511620270 10.6497575611 SOLV 843 0.0000000000 2563 847 TIP3 OH2 4.9599305888 9.5002720270 12.0455775611 SOLV 844 0.0000000000 2564 847 TIP3 H1 5.6135905888 8.9504420270 12.4775875611 SOLV 844 0.0000000000 2565 847 TIP3 H2 4.9838605888 9.2261720270 11.1287775611 SOLV 844 0.0000000000 2566 848 TIP3 OH2 7.1499705888 6.0215320270 15.3575175611 SOLV 845 0.0000000000 2567 848 TIP3 H1 6.9311405888 6.5515920270 14.5911175611 SOLV 845 0.0000000000 2568 848 TIP3 H2 6.4820605888 6.2480820270 16.0046575611 SOLV 845 0.0000000000 2569 849 TIP3 OH2 14.5189505888 15.5216420270 8.9014275611 SOLV 846 0.0000000000 2570 849 TIP3 H1 14.2234605888 15.1988720270 8.0501175611 SOLV 846 0.0000000000 2571 849 TIP3 H2 14.1947305888 16.4213120270 8.9426875611 SOLV 846 0.0000000000 2572 850 TIP3 OH2 9.7191105888 13.6971020270 15.6448875611 SOLV 847 0.0000000000 2573 850 TIP3 H1 8.9790205888 14.2952520270 15.7484075611 SOLV 847 0.0000000000 2574 850 TIP3 H2 10.4330605888 14.2510620270 15.3292475611 SOLV 847 0.0000000000 2575 851 TIP3 OH2 6.7437005888 7.9137120270 13.3097375611 SOLV 848 0.0000000000 2576 851 TIP3 H1 7.3573305888 8.5464720270 13.6829775611 SOLV 848 0.0000000000 2577 851 TIP3 H2 7.2557705888 7.4412120270 12.6534275611 SOLV 848 0.0000000000 2578 852 TIP3 OH2 4.2476305888 15.3321920270 7.2139675611 SOLV 849 0.0000000000 2579 852 TIP3 H1 3.9757205888 15.5612920270 6.3252575611 SOLV 849 0.0000000000 2580 852 TIP3 H2 4.2932005888 16.1700720270 7.6744975611 SOLV 849 0.0000000000 2581 853 TIP3 OH2 11.1764405888 3.3270420270 12.8100075611 SOLV 850 0.0000000000 2582 853 TIP3 H1 11.0588605888 2.3786420270 12.7558375611 SOLV 850 0.0000000000 2583 853 TIP3 H2 10.3214505888 3.6596520270 13.0831175611 SOLV 850 0.0000000000 2584 854 TIP3 OH2 13.4429305888 12.1646020270 7.3105875611 SOLV 851 0.0000000000 2585 854 TIP3 H1 12.7314805888 12.6995720270 6.9586375611 SOLV 851 0.0000000000 2586 854 TIP3 H2 14.1338905888 12.2198120270 6.6504775611 SOLV 851 0.0000000000 2587 855 TIP3 OH2 13.4968505888 10.6220320270 4.3490875611 SOLV 852 0.0000000000 2588 855 TIP3 H1 14.1978405888 10.6447220270 5.0004875611 SOLV 852 0.0000000000 2589 855 TIP3 H2 13.7991405888 9.9940020270 3.6930175611 SOLV 852 0.0000000000 2590 856 TIP3 OH2 8.4940705888 13.0045520270 10.1446775611 SOLV 853 0.0000000000 2591 856 TIP3 H1 8.1635905888 12.6338920270 9.3263775611 SOLV 853 0.0000000000 2592 856 TIP3 H2 9.0824805888 12.3339520270 10.4915075611 SOLV 853 0.0000000000 2593 857 TIP3 OH2 8.8606205888 11.7731120270 13.7781775611 SOLV 854 0.0000000000 2594 857 TIP3 H1 9.4258705888 11.8945320270 13.0152975611 SOLV 854 0.0000000000 2595 857 TIP3 H2 9.1795105888 12.4106120270 14.4170275611 SOLV 854 0.0000000000 2596 858 TIP3 OH2 7.4843405888 12.0739820270 7.7339575611 SOLV 855 0.0000000000 2597 858 TIP3 H1 7.1924705888 12.8421520270 7.2430875611 SOLV 855 0.0000000000 2598 858 TIP3 H2 6.8098605888 11.4146020270 7.5710975611 SOLV 855 0.0000000000 2599 859 TIP3 OH2 8.4452005888 4.2304920270 13.5876375611 SOLV 856 0.0000000000 2600 859 TIP3 H1 7.5835705888 4.1433120270 13.1799275611 SOLV 856 0.0000000000 2601 859 TIP3 H2 8.4227705888 5.0865020270 14.0153975611 SOLV 856 0.0000000000 2602 860 TIP3 OH2 12.7697105888 6.4448720270 4.2474175611 SOLV 857 0.0000000000 2603 860 TIP3 H1 12.5161905888 6.4640320270 5.1702275611 SOLV 857 0.0000000000 2604 860 TIP3 H2 12.5129205888 5.5734120270 3.9460375611 SOLV 857 0.0000000000 2605 861 TIP3 OH2 8.5362105888 9.1959420270 14.6826575611 SOLV 858 0.0000000000 2606 861 TIP3 H1 7.8944205888 9.1556720270 15.3916675611 SOLV 858 0.0000000000 2607 861 TIP3 H2 8.5734105888 10.1224120270 14.4449575611 SOLV 858 0.0000000000 2608 862 TIP3 OH2 8.5331205888 9.4169520270 9.5946575611 SOLV 859 0.0000000000 2609 862 TIP3 H1 7.6404105888 9.0765620270 9.5360375611 SOLV 859 0.0000000000 2610 862 TIP3 H2 8.9837805888 9.0400420270 8.8389775611 SOLV 859 0.0000000000 2611 863 TIP3 OH2 14.0686705888 9.8329820270 8.4117375611 SOLV 860 0.0000000000 2612 863 TIP3 H1 13.6597005888 10.6478420270 8.1202175611 SOLV 860 0.0000000000 2613 863 TIP3 H2 14.7892905888 9.6929920270 7.7974475611 SOLV 860 0.0000000000 2614 864 TIP3 OH2 15.0734405888 9.2790220270 11.2257075611 SOLV 861 0.0000000000 2615 864 TIP3 H1 14.8778905888 9.8847020270 10.5107675611 SOLV 861 0.0000000000 2616 864 TIP3 H2 15.2547005888 8.4455420270 10.7913375611 SOLV 861 0.0000000000 2617 865 TIP3 OH2 9.6520005888 6.8905220270 3.3484575611 SOLV 862 0.0000000000 2618 865 TIP3 H1 9.2210705888 6.4455320270 4.0781975611 SOLV 862 0.0000000000 2619 865 TIP3 H2 8.9338705888 7.2621520270 2.8362075611 SOLV 862 0.0000000000 2620 866 TIP3 OH2 2.8943405888 6.6324720270 10.4003275611 SOLV 863 0.0000000000 2621 866 TIP3 H1 3.5251105888 6.6036820270 11.1197175611 SOLV 863 0.0000000000 2622 866 TIP3 H2 3.3437705888 6.2073420270 9.6699175611 SOLV 863 0.0000000000 2623 867 TIP3 OH2 4.1685505888 7.3786720270 5.8243675611 SOLV 864 0.0000000000 2624 867 TIP3 H1 4.6427205888 7.9696620270 5.2394575611 SOLV 864 0.0000000000 2625 867 TIP3 H2 3.4511905888 7.9089620270 6.1713775611 SOLV 864 0.0000000000 2626 868 TIP3 OH2 14.3373605888 10.9171520270 15.8969475611 SOLV 865 0.0000000000 2627 868 TIP3 H1 14.6608405888 10.2861220270 15.2539975611 SOLV 865 0.0000000000 2628 868 TIP3 H2 13.8972905888 10.3823720270 16.5576875611 SOLV 865 0.0000000000 2629 869 TIP3 OH2 11.1146505888 6.8447020270 10.6810675611 SOLV 866 0.0000000000 2630 869 TIP3 H1 10.2037605888 6.9013820270 10.9696675611 SOLV 866 0.0000000000 2631 869 TIP3 H2 11.6199405888 6.7842520270 11.4917875611 SOLV 866 0.0000000000 2632 870 TIP3 OH2 5.9429905888 8.4733320270 9.5078275611 SOLV 867 0.0000000000 2633 870 TIP3 H1 5.0537905888 8.5728820270 9.1677875611 SOLV 867 0.0000000000 2634 870 TIP3 H2 6.2394805888 7.6316320270 9.1616175611 SOLV 867 0.0000000000 2635 871 TIP3 OH2 9.5961705888 8.4735920270 7.1642875611 SOLV 868 0.0000000000 2636 871 TIP3 H1 10.5277205888 8.6025920270 7.3425975611 SOLV 868 0.0000000000 2637 871 TIP3 H2 9.3812005888 9.1430220270 6.5147575611 SOLV 868 0.0000000000 2638 872 TIP3 OH2 15.5198405888 6.0793320270 13.9452475611 SOLV 869 0.0000000000 2639 872 TIP3 H1 14.8430005888 6.2106420270 14.6092175611 SOLV 869 0.0000000000 2640 872 TIP3 H2 15.0343305888 5.9242820270 13.1350175611 SOLV 869 0.0000000000 2641 873 TIP3 OH2 8.2701905888 9.6678120270 4.7308975611 SOLV 870 0.0000000000 2642 873 TIP3 H1 7.7277005888 9.2881920270 4.0396575611 SOLV 870 0.0000000000 2643 873 TIP3 H2 9.1036805888 9.8622820270 4.3023075611 SOLV 870 0.0000000000 2644 874 TIP3 OH2 7.4365905888 5.7686120270 8.9865075611 SOLV 871 0.0000000000 2645 874 TIP3 H1 7.1195405888 4.8661420270 8.9510475611 SOLV 871 0.0000000000 2646 874 TIP3 H2 8.2180005888 5.7703520270 8.4336675611 SOLV 871 0.0000000000 2647 875 TIP3 OH2 11.0612105888 8.0206120270 14.9820675611 SOLV 872 0.0000000000 2648 875 TIP3 H1 10.2257405888 8.4745620270 15.0923075611 SOLV 872 0.0000000000 2649 875 TIP3 H2 11.5852705888 8.2964620270 15.7340575611 SOLV 872 0.0000000000 2650 876 TIP3 OH2 11.6054705888 14.2333820270 6.6667075611 SOLV 873 0.0000000000 2651 876 TIP3 H1 10.8605705888 13.7259120270 6.3444975611 SOLV 873 0.0000000000 2652 876 TIP3 H2 11.4711905888 14.2821820270 7.6131875611 SOLV 873 0.0000000000 2653 877 TIP3 OH2 15.5031505888 7.0473720270 4.8659675611 SOLV 874 0.0000000000 2654 877 TIP3 H1 14.5645705888 7.1589320270 4.7148475611 SOLV 874 0.0000000000 2655 877 TIP3 H2 15.8003605888 7.9040620270 5.1725375611 SOLV 874 0.0000000000 2656 878 TIP3 OH2 6.7303005888 13.5283820270 12.4364975611 SOLV 875 0.0000000000 2657 878 TIP3 H1 7.4750205888 13.5259520270 11.8351475611 SOLV 875 0.0000000000 2658 878 TIP3 H2 6.8079605888 12.7047620270 12.9180075611 SOLV 875 0.0000000000 2659 879 TIP3 OH2 13.7308805888 15.6918120270 5.6921675611 SOLV 876 0.0000000000 2660 879 TIP3 H1 13.4357205888 16.5186020270 6.0736475611 SOLV 876 0.0000000000 2661 879 TIP3 H2 13.0278805888 15.0725020270 5.8883075611 SOLV 876 0.0000000000 2662 880 TIP3 OH2 4.8600105888 11.9086120270 4.4278875611 SOLV 877 0.0000000000 2663 880 TIP3 H1 5.4760005888 12.5353320270 4.8073675611 SOLV 877 0.0000000000 2664 880 TIP3 H2 3.9982705888 12.2245920270 4.6995375611 SOLV 877 0.0000000000 2665 881 TIP3 OH2 10.5324705888 14.7091920270 9.4170775611 SOLV 878 0.0000000000 2666 881 TIP3 H1 10.2914705888 15.6346320270 9.4586075611 SOLV 878 0.0000000000 2667 881 TIP3 H2 9.7918305888 14.2503220270 9.8134675611 SOLV 878 0.0000000000 2668 882 TIP3 OH2 14.5912105888 14.9576220270 15.4327475611 SOLV 879 0.0000000000 2669 882 TIP3 H1 14.1653405888 14.7297920270 16.2591475611 SOLV 879 0.0000000000 2670 882 TIP3 H2 15.1717905888 14.2188020270 15.2502775611 SOLV 879 0.0000000000 2671 883 TIP3 OH2 6.2750505888 13.8209920270 5.9204475611 SOLV 880 0.0000000000 2672 883 TIP3 H1 5.5889805888 14.1732420270 6.4874175611 SOLV 880 0.0000000000 2673 883 TIP3 H2 6.7978405888 14.5839520270 5.6738775611 SOLV 880 0.0000000000 2674 884 TIP3 OH2 14.8910505888 6.1355420270 7.2965775611 SOLV 881 0.0000000000 2675 884 TIP3 H1 15.1108805888 6.6070820270 6.4931175611 SOLV 881 0.0000000000 2676 884 TIP3 H2 15.4494505888 6.5298020270 7.9666375611 SOLV 881 0.0000000000 2677 885 TIP3 OH2 12.0910405888 7.8634220270 8.1314175611 SOLV 882 0.0000000000 2678 885 TIP3 H1 12.9033005888 8.3677420270 8.1775875611 SOLV 882 0.0000000000 2679 885 TIP3 H2 11.8463405888 7.7183920270 9.0453775611 SOLV 882 0.0000000000 2680 886 TIP3 OH2 12.9747105888 4.9447220270 9.0695275611 SOLV 883 0.0000000000 2681 886 TIP3 H1 12.6280605888 5.5617820270 9.7139575611 SOLV 883 0.0000000000 2682 886 TIP3 H2 13.6334005888 5.4452920270 8.5880775611 SOLV 883 0.0000000000 2683 887 TIP3 OH2 8.6324105888 6.0076620270 5.7567775611 SOLV 884 0.0000000000 2684 887 TIP3 H1 8.5488905888 6.8959720270 6.1034175611 SOLV 884 0.0000000000 2685 887 TIP3 H2 9.5224405888 5.7423320270 5.9884575611 SOLV 884 0.0000000000 2686 888 TIP3 OH2 5.2068605888 9.0991820270 3.9331675611 SOLV 885 0.0000000000 2687 888 TIP3 H1 5.1621205888 10.0384920270 4.1118675611 SOLV 885 0.0000000000 2688 888 TIP3 H2 4.3191805888 8.8636720270 3.6633775611 SOLV 885 0.0000000000 2689 889 TIP3 OH2 6.0150605888 3.8808420270 12.6062675611 SOLV 886 0.0000000000 2690 889 TIP3 H1 5.7860405888 3.9400920270 11.6787675611 SOLV 886 0.0000000000 2691 889 TIP3 H2 5.5724005888 3.0893920270 12.9126775611 SOLV 886 0.0000000000 2692 890 TIP3 OH2 8.4820805888 14.5879020270 3.1835375611 SOLV 887 0.0000000000 2693 890 TIP3 H1 8.5464905888 13.7938620270 3.7141775611 SOLV 887 0.0000000000 2694 890 TIP3 H2 9.1350005888 14.4691820270 2.4937375611 SOLV 887 0.0000000000 2695 891 TIP3 OH2 13.8344205888 15.6350720270 2.9193375611 SOLV 888 0.0000000000 2696 891 TIP3 H1 13.5658305888 15.8152820270 3.8202275611 SOLV 888 0.0000000000 2697 891 TIP3 H2 13.6279805888 14.7096920270 2.7879175611 SOLV 888 0.0000000000 2698 892 TIP3 OH2 9.6314605888 12.5605220270 5.4893375611 SOLV 889 0.0000000000 2699 892 TIP3 H1 9.1716605888 12.0763520270 6.1751875611 SOLV 889 0.0000000000 2700 892 TIP3 H2 9.8863305888 11.8920620270 4.8533875611 SOLV 889 0.0000000000 2701 893 TIP3 OH2 10.7025005888 10.8037020270 3.7516575611 SOLV 890 0.0000000000 2702 893 TIP3 H1 10.5220005888 10.6488220270 2.8244875611 SOLV 890 0.0000000000 2703 893 TIP3 H2 11.6525505888 10.9115720270 3.7964475611 SOLV 890 0.0000000000 2704 894 TIP3 OH2 3.7670905888 12.6795420270 13.5693275611 SOLV 891 0.0000000000 2705 894 TIP3 H1 3.9513805888 12.5977120270 12.6336175611 SOLV 891 0.0000000000 2706 894 TIP3 H2 4.6163805888 12.5552420270 13.9929675611 SOLV 891 0.0000000000 2707 895 TIP3 OH2 4.5858205888 6.2622020270 12.6014975611 SOLV 892 0.0000000000 2708 895 TIP3 H1 5.0309805888 5.4704520270 12.9034675611 SOLV 892 0.0000000000 2709 895 TIP3 H2 5.0521205888 6.9787220270 13.0320575611 SOLV 892 0.0000000000 2710 896 TIP3 OH2 2.8898505888 9.2615020270 13.6705175611 SOLV 893 0.0000000000 2711 896 TIP3 H1 3.3818305888 9.0405520270 12.8797175611 SOLV 893 0.0000000000 2712 896 TIP3 H2 3.2519405888 10.1018420270 13.9514675611 SOLV 893 0.0000000000 2713 897 TIP3 OH2 3.2035005888 5.5194120270 7.7247575611 SOLV 894 0.0000000000 2714 897 TIP3 H1 2.2783405888 5.7280720270 7.5953075611 SOLV 894 0.0000000000 2715 897 TIP3 H2 3.6574905888 6.0034920270 7.0349875611 SOLV 894 0.0000000000 2716 898 TIP3 OH2 13.3166705888 5.1303420270 12.0778175611 SOLV 895 0.0000000000 2717 898 TIP3 H1 12.6423505888 4.5009020270 12.3333975611 SOLV 895 0.0000000000 2718 898 TIP3 H2 13.8805905888 4.6462320270 11.4746075611 SOLV 895 0.0000000000 2719 899 TIP3 OH2 5.6434205888 3.7643720270 9.8998075611 SOLV 896 0.0000000000 2720 899 TIP3 H1 4.8664005888 3.5298620270 9.3923975611 SOLV 896 0.0000000000 2721 899 TIP3 H2 6.1737805888 2.9675820270 9.9086075611 SOLV 896 0.0000000000 2722 900 TIP3 OH2 4.4797605888 3.5621820270 5.7034175611 SOLV 897 0.0000000000 2723 900 TIP3 H1 4.9188305888 4.1732320270 5.1117675611 SOLV 897 0.0000000000 2724 900 TIP3 H2 3.8460005888 4.1005920270 6.1774175611 SOLV 897 0.0000000000 2725 901 TIP3 OH2 10.2226805888 3.6910820270 9.7131175611 SOLV 898 0.0000000000 2726 901 TIP3 H1 11.0970205888 4.0795120270 9.6835475611 SOLV 898 0.0000000000 2727 901 TIP3 H2 10.0867605888 3.4758620270 10.6358375611 SOLV 898 0.0000000000 2728 902 TIP3 OH2 15.7795205888 3.7210620270 11.3622875611 SOLV 899 0.0000000000 2729 902 TIP3 H1 15.8556805888 3.8162220270 10.4128875611 SOLV 899 0.0000000000 2730 902 TIP3 H2 15.5044405888 2.8133520270 11.4911975611 SOLV 899 0.0000000000 2731 903 TIP3 OH2 6.3406705888 5.4783320270 4.1458275611 SOLV 900 0.0000000000 2732 903 TIP3 H1 6.8320105888 4.8485720270 3.6183775611 SOLV 900 0.0000000000 2733 903 TIP3 H2 6.9643005888 5.7742720270 4.8089475611 SOLV 900 0.0000000000 2734 904 TIP3 OH2 11.3666805888 5.7714820270 6.6028775611 SOLV 901 0.0000000000 2735 904 TIP3 H1 11.5448105888 5.1248020270 7.2857375611 SOLV 901 0.0000000000 2736 904 TIP3 H2 11.3133005888 6.6052520270 7.0699875611 SOLV 901 0.0000000000 2737 905 POT POT -6.0679000000 13.0088000000 -6.4225000000 POT 1 0.0000000000 2738 906 POT POT -5.5422100000 -10.1676000000 -0.6098240000 POT 2 0.0000000000 2739 907 POT POT -15.3547000000 -7.6718100000 -2.9529900000 POT 3 0.0000000000 2740 908 POT POT 12.0711000000 14.5574000000 -7.5697300000 POT 4 0.0000000000 2741 909 POT POT -14.5424000000 -9.6491800000 -10.7776000000 POT 5 0.0000000000 2742 910 POT POT 6.4314600000 -9.5515500000 15.8946000000 POT 6 0.0000000000 2743 911 POT POT 10.4820000000 2.6364500000 2.6841000000 POT 7 0.0000000000 2744 912 POT POT 6.4108200000 0.9127040000 5.7177300000 POT 8 0.0000000000 2745 913 POT POT 9.0220800000 15.8994000000 13.8097000000 POT 9 0.0000000000 2746 914 POT POT 14.5696000000 15.4174000000 -2.6206700000 POT 10 0.0000000000 2747 915 POT POT -5.6132800000 6.4640300000 -13.4754000000 POT 11 0.0000000000 2748 916 POT POT -3.1069100000 -9.2330200000 4.1024600000 POT 12 0.0000000000 2749 917 POT POT 15.9429000000 -15.6407000000 -11.9379000000 POT 13 0.0000000000 2750 918 POT POT -7.5369000000 12.3823000000 -0.9509760000 POT 14 0.0000000000 2751 919 POT POT -1.2587200000 15.9551000000 13.9781000000 POT 15 0.0000000000 2752 920 POT POT 1.1295000000 -14.6176000000 5.4440300000 POT 16 0.0000000000 2753 921 POT POT -4.7489300000 9.7287400000 12.5599000000 POT 17 0.0000000000 2754 922 POT POT 15.7965000000 8.8336600000 -4.2141800000 POT 18 0.0000000000 2755 923 POT POT 0.6048640000 -0.4340800000 -15.7827000000 POT 19 0.0000000000 2756 924 POT POT -14.9848000000 11.3501000000 6.7608000000 POT 20 0.0000000000 2757 925 CLA CLA 6.3304600000 -11.2259000000 4.4630400000 CLA 1 0.0000000000 2758 926 CLA CLA 7.2001900000 3.0626200000 -15.9904000000 CLA 2 0.0000000000 2759 927 CLA CLA -8.6306200000 -14.2210000000 13.6956000000 CLA 3 0.0000000000 2760 928 CLA CLA -5.7203800000 2.6347800000 11.9833000000 CLA 4 0.0000000000 2761 929 CLA CLA 1.1785000000 -14.5231000000 -0.8856960000 CLA 5 0.0000000000 2762 930 CLA CLA -14.7339000000 15.3296000000 0.9195840000 CLA 6 0.0000000000 2763 931 CLA CLA 12.4140000000 -13.4606000000 -4.8198700000 CLA 7 0.0000000000 2764 932 CLA CLA -5.8938200000 13.9777000000 -11.6763000000 CLA 8 0.0000000000 2765 933 CLA CLA 11.0834000000 11.1639000000 11.6553000000 CLA 9 0.0000000000 2766 934 CLA CLA -5.3338600000 6.9509400000 -5.9730600000 CLA 10 0.0000000000 2767 935 CLA CLA -9.9917100000 -10.8020000000 -15.9646000000 CLA 11 0.0000000000 2768 936 CLA CLA -0.4526400000 9.0046400000 -15.0487000000 CLA 12 0.0000000000 2769 937 CLA CLA -13.0530000000 -1.9791400000 -9.2941800000 CLA 13 0.0000000000 2770 938 CLA CLA -8.2158700000 -9.4416300000 -9.9157400000 CLA 14 0.0000000000 2771 939 CLA CLA 0.5811520000 7.3945600000 4.6948800000 CLA 15 0.0000000000 2772 940 CLA CLA 12.1301000000 -7.5740800000 14.4683000000 CLA 16 0.0000000000 2773 941 CLA CLA 11.5187000000 8.5252200000 -0.5964480000 CLA 17 0.0000000000 2774 942 CLA CLA -2.3049000000 -7.7817600000 -9.3384600000 CLA 18 0.0000000000 2775 943 CLA CLA -5.6430700000 -5.7263700000 1.8246400000 CLA 19 0.0000000000 2776 944 CLA CLA -7.5434900000 -15.4529000000 4.8342400000 CLA 20 0.0000000000