bdna.xyz

   758  DNA B-Form Dodecamer, d(CGCGAATTCGCG)
     1  O     -0.126000    0.057000    0.039000   348     2     9
     2  C     -0.055000    0.018000    1.460000   337     1     3    10    11
     3  C      1.370000   -0.015000    2.031000   328     2     4     6    12
     4  O      1.775000   -1.379000    2.228000   332     3     5
     5  C      2.633000   -1.754000    1.177000   331     4     7    16    17
     6  C      2.307000    0.761000    1.117000   329     3     7     8    13
     7  C      2.835000   -0.457000    0.448000   330     5     6    14    15
     8  O      3.299000    1.463000    1.831000   338     6    29
     9  H     -1.015000    0.008000   -0.297000   342     1
    10  H     -0.557000   -0.879000    1.816000   340     2
    11  H     -0.531000    0.914000    1.844000   340     2
    12  H      1.407000    0.472000    3.000000   336     3
    13  H      1.839000    1.423000    0.388000   335     6
    14  H      2.679000   -0.452000   -0.636000   333     7
    15  H      3.826000   -0.378000    0.724000   333     7
    16  H      3.625000   -2.060000    1.556000   334     5
    17  N      2.106000   -2.856000    0.344000   262     5    18    24
    18  C      2.605000   -4.151000    0.552000   266    17    19    20
    19  O      3.420000   -4.408000    1.441000   270    18
    20  N      2.132000   -5.187000   -0.189000   268    18    21
    21  C      1.270000   -4.909000   -1.150000   267    20    22    23
    22  N      0.714000   -5.905000   -1.765000   264    21    25    26
    23  C      0.778000   -3.622000   -1.453000   263    21    24    27
    24  C      1.256000   -2.611000   -0.707000   265    17    23    28
    25  H      1.214000   -6.779000   -1.656000   272    22
    26  H      0.235000   -5.726000   -2.616000   272    22
    27  H      0.136000   -3.414000   -2.288000   269    23
    28  H      1.024000   -1.602000   -0.996000   271    24
    29  P      3.776000    2.940000    1.399000   343     8    30    31    32
    30  O      3.965000    2.985000   -0.058000   344    29
    31  O      2.832000    3.894000    2.020000   344    29
    32  O      5.204000    2.970000    2.164000   341    29    33
    33  C      5.406000    2.389000    3.467000   337    32    34    40    41
    34  C      6.724000    1.631000    3.670000   328    33    35    37    42
    35  O      6.567000    0.253000    3.262000   332    34    36
    36  C      7.140000    0.100000    1.992000   331    35    38    46    47
    37  C      7.829000    2.384000    2.962000   329    34    38    39    43
    38  C      7.742000    1.449000    1.837000   330    36    37    44    45
    39  O      9.095000    2.358000    3.574000   338    37    62
    40  H      4.644000    1.642000    3.656000   340    33
    41  H      5.347000    3.163000    4.224000   340    33
    42  H      7.017000    1.619000    4.710000   336    34
    43  H      7.594000    3.391000    2.609000   335    37
    44  H      7.367000    2.046000    1.017000   333    38
    45  H      8.707000    1.065000    1.791000   333    38
    46  H      7.954000   -0.642000    1.956000   334    36
    47  N      6.286000   -0.259000    0.853000   281    36    48    57
    48  C      5.693000    0.574000   -0.055000   276    47    49    58
    49  N      5.141000   -0.026000   -1.072000   282    48    50
    50  C      5.391000   -1.365000   -0.778000   279    49    51    57
    51  C      4.749000   -2.534000   -1.247000   274    50    52    53
    52  O      3.750000   -2.597000   -1.925000   285    51
    53  N      5.332000   -3.705000   -0.810000   277    51    54    59
    54  C      6.304000   -3.733000    0.124000   273    53    55    56
    55  N      6.783000   -4.904000    0.459000   278    54    60    61
    56  N      6.721000   -2.679000    0.811000   283    54    57
    57  C      6.200000   -1.505000    0.316000   275    47    50    56
    58  H      5.645000    1.627000    0.087000   286    48
    59  H      5.032000   -4.557000   -1.254000   284    53
    60  H      6.563000   -5.698000   -0.124000   287    55
    61  H      7.592000   -4.859000    1.048000   287    55
    62  P     10.058000    3.654000    3.630000   343    39    63    64    65
    63  O     10.144000    4.280000    2.298000   344    62
    64  O      9.624000    4.483000    4.771000   344    62
    65  O     11.446000    2.890000    3.983000   341    62    66
    66  C     11.512000    1.738000    4.841000   337    65    67    73    74
    67  C     12.442000    0.611000    4.377000   328    66    68    70    75
    68  O     11.725000   -0.302000    3.521000   332    67    69
    69  C     12.075000   -0.045000    2.180000   331    68    71    79    80
    70  C     13.671000    1.215000    3.726000   329    67    71    72    76
    71  C     13.161000    0.978000    2.355000   330    69    70    77    78
    72  O     14.859000    0.493000    3.989000   338    70    92
    73  H     10.539000    1.264000    4.913000   340    66
    74  H     11.830000    2.052000    5.827000   340    66
    75  H     12.799000    0.039000    5.227000   336    67
    76  H     13.829000    2.281000    3.888000   335    70
    77  H     13.121000    1.899000    1.767000   333    71
    78  H     13.874000    0.317000    2.028000   333    71
    79  H     12.531000   -0.933000    1.714000   334    69
    80  N     11.013000    0.391000    1.250000   262    69    81    87
    81  C     10.383000   -0.549000    0.431000   266    80    82    83
    82  O     10.675000   -1.749000    0.471000   270    81
    83  N      9.404000   -0.162000   -0.427000   268    81    84
    84  C      9.163000    1.132000   -0.546000   267    83    85    86
    85  N      8.044000    1.483000   -1.092000   264    84    88    89
    86  C      9.820000    2.144000    0.194000   263    84    87    90
    87  C     10.752000    1.723000    1.069000   265    80    86    91
    88  H      7.497000    0.755000   -1.544000   272    85
    89  H      7.671000    2.400000   -1.026000   272    85
    90  H      9.458000    3.158000    0.261000   269    86
    91  H     11.230000    2.431000    1.703000   271    87
    92  P     16.266000    1.227000    4.259000   343    72    93    94    95
    93  O     16.476000    2.299000    3.274000   344    92
    94  O     16.329000    1.564000    5.698000   344    92
    95  O     17.254000   -0.019000    3.942000   341    92    96
    96  C     16.947000   -1.375000    4.312000   337    95    97   103   104
    97  C     17.318000   -2.436000    3.270000   328    96    98   100   105
    98  O     16.233000   -2.637000    2.349000   332    97    99
    99  C     16.527000   -1.945000    1.167000   331    98   101   109   110
   100  C     18.620000   -2.032000    2.604000   329    97   101   102   106
   101  C     17.918000   -1.466000    1.427000   330    99   100   107   108
   102  O     19.444000   -3.134000    2.277000   338   100   125
   103  H     15.878000   -1.491000    4.446000   340    96
   104  H     17.453000   -1.625000    5.236000   340    96
   105  H     17.497000   -3.395000    3.740000   336    97
   106  H     19.200000   -1.258000    3.105000   335   100
   107  H     18.151000   -0.408000    1.269000   333   101
   108  H     18.285000   -2.097000    0.708000   333   101
   109  H     16.536000   -2.600000    0.281000   334    99
   110  N     15.646000   -0.850000    0.804000   281    99   111   120
   111  C     15.853000    0.479000    1.041000   276   110   112   121
   112  N     15.066000    1.271000    0.367000   282   111   113
   113  C     14.271000    0.361000   -0.328000   279   112   114   120
   114  C     13.050000    0.564000   -0.986000   274   113   115   116
   115  O     12.444000    1.598000   -1.014000   285   114
   116  N     12.553000   -0.543000   -1.636000   277   114   117   122
   117  C     13.169000   -1.740000   -1.594000   273   116   118   119
   118  N     12.659000   -2.699000   -2.320000   278   117   123   124
   119  N     14.191000   -2.041000   -0.797000   283   117   120
   120  C     14.668000   -0.930000   -0.139000   275   110   113   119
   121  H     16.604000    0.831000    1.704000   286   111
   122  H     11.725000   -0.410000   -2.197000   284   116
   123  H     11.918000   -2.474000   -2.972000   287   118
   124  H     13.208000   -3.531000   -2.371000   287   118
   125  P     21.045000   -3.092000    2.451000   343   102   126   127   128
   126  O     21.578000   -1.830000    1.914000   344   125
   127  O     21.362000   -3.456000    3.849000   344   125
   128  O     21.430000   -4.321000    1.464000   341   125   129
   129  C     20.644000   -5.522000    1.366000   337   128   130   136   137
   130  C     20.474000   -6.075000   -0.053000   328   129   131   133   138
   131  O     19.328000   -5.488000   -0.692000   332   130   132
   132  C     19.768000   -4.487000   -1.571000   331   131   134   142   143
   133  C     21.764000   -5.865000   -0.824000   329   130   134   135   139
   134  C     21.258000   -4.654000   -1.519000   330   132   133   140   141
   135  O     22.054000   -6.920000   -1.720000   338   133   157
   136  H     19.632000   -5.333000    1.707000   340   129
   137  H     21.086000   -6.299000    1.979000   340   129
   138  H     20.296000   -7.144000   -0.029000   336   130
   139  H     22.643000   -5.623000   -0.226000   335   133
   140  H     21.868000   -3.772000   -1.302000   333   134
   141  H     21.319000   -4.985000   -2.492000   333   134
   142  H     19.434000   -4.661000   -2.606000   334   132
   143  N     19.352000   -3.119000   -1.254000   252   132   144   152
   144  C     20.086000   -2.182000   -0.585000   248   143   145   153
   145  N     19.630000   -0.956000   -0.681000   255   144   146
   146  C     18.485000   -1.152000   -1.458000   250   145   147   152
   147  C     17.400000   -0.350000   -1.752000   249   146   148   149
   148  N     17.276000    0.810000   -1.202000   253   147   154   155
   149  N     16.446000   -0.737000   -2.604000   257   147   150
   150  C     16.551000   -1.965000   -3.090000   254   149   151   156
   151  N     17.417000   -2.913000   -2.759000   256   150   152
   152  C     18.352000   -2.439000   -1.883000   247   143   146   151
   153  H     20.976000   -2.430000   -0.066000   258   144
   154  H     16.399000    1.317000   -1.296000   260   148
   155  H     17.819000    1.076000   -0.396000   260   148
   156  H     15.818000   -2.249000   -3.832000   259   150
   157  P     23.548000   -7.475000   -1.948000   343   135   158   159   160
   158  O     24.492000   -6.357000   -2.093000   344   157
   159  O     23.822000   -8.494000   -0.910000   344   157
   160  O     23.319000   -8.207000   -3.383000   341   157   161
   161  C     22.109000   -8.922000   -3.714000   337   160   162   168   169
   162  C     21.563000   -8.731000   -5.145000   328   161   163   165   170
   163  O     20.705000   -7.570000   -5.196000   332   162   164
   164  C     21.423000   -6.494000   -5.737000   331   163   166   174   175
   165  C     22.744000   -8.686000   -6.094000   329   162   166   167   171
   166  C     22.673000   -7.202000   -6.113000   330   164   165   172   173
   167  O     22.630000   -9.192000   -7.425000   338   165   189
   168  H     21.303000   -8.586000   -3.073000   340   161
   169  H     22.269000   -9.982000   -3.555000   340   161
   170  H     20.977000   -9.583000   -5.456000   336   162
   171  H     23.666000   -9.032000   -5.631000   335   165
   172  H     23.558000   -6.834000   -5.609000   333   166
   173  H     22.571000   -6.990000   -7.130000   333   166
   174  H     20.966000   -6.087000   -6.653000   334   164
   175  N     21.705000   -5.308000   -4.902000   252   164   176   184
   176  C     22.827000   -5.028000   -4.167000   248   175   177   185
   177  N     22.868000   -3.830000   -3.645000   255   176   178
   178  C     21.665000   -3.298000   -4.117000   250   177   179   184
   179  C     20.933000   -2.171000   -3.792000   249   178   180   181
   180  N     21.282000   -1.421000   -2.810000   253   179   186   187
   181  N     19.834000   -1.822000   -4.466000   257   179   182
   182  C     19.419000   -2.664000   -5.398000   254   181   183   188
   183  N     19.907000   -3.857000   -5.707000   256   182   184
   184  C     21.026000   -4.135000   -4.978000   247   175   178   183
   185  H     23.567000   -5.759000   -3.958000   258   176
   186  H     20.712000   -0.634000   -2.521000   260   180
   187  H     22.029000   -1.664000   -2.180000   260   180
   188  H     18.561000   -2.351000   -5.975000   259   182
   189  P     23.692000  -10.192000   -8.198000   343   167   190   191   192
   190  O     25.041000   -9.674000   -8.422000   344   189
   191  O     23.568000  -11.549000   -7.619000   344   189
   192  O     23.028000  -10.123000   -9.663000   341   189   193
   193  C     21.623000  -10.074000   -9.892000   337   192   194   200   201
   194  C     21.131000   -9.081000  -10.963000   328   193   195   197   202
   195  O     20.845000   -7.805000  -10.345000   332   194   196
   196  C     21.885000   -6.898000  -10.623000   331   195   198   206   207
   197  C     22.146000   -9.017000  -12.089000   329   194   198   199   203
   198  C     22.673000   -7.736000  -11.559000   330   196   197   204   205
   199  O     21.737000   -8.820000  -13.445000   338   197   221
   200  H     21.106000   -9.783000   -8.984000   340   193
   201  H     21.335000  -11.072000  -10.186000   340   193
   202  H     20.223000   -9.450000  -11.417000   336   194
   203  H     22.898000   -9.802000  -12.025000   335   197
   204  H     23.678000   -7.936000  -11.230000   333   198
   205  H     22.560000   -7.077000  -12.361000   333   198
   206  H     21.517000   -6.031000  -11.194000   334   196
   207  N     22.714000   -6.321000   -9.521000   292   196   208   215
   208  C     22.330000   -5.062000   -9.048000   294   207   209   210
   209  O     21.414000   -4.405000   -9.538000   296   208
   210  N     23.026000   -4.591000   -7.970000   293   208   211   216
   211  C     24.129000   -5.207000   -7.397000   290   210   212   213
   212  O     24.544000   -4.855000   -6.330000   298   211
   213  C     24.581000   -6.447000   -7.994000   289   211   214   215
   214  C     25.537000   -7.314000   -7.148000   288   213   217   218   219
   215  C     23.842000   -6.949000   -9.021000   291   207   213   220
   216  H     22.656000   -3.767000   -7.510000   299   210
   217  H     25.805000   -6.849000   -6.202000   295   214
   218  H     26.390000   -7.633000   -7.727000   295   214
   219  H     25.057000   -8.195000   -6.757000   295   214
   220  H     24.064000   -7.929000   -9.352000   297   215
   221  P     22.252000   -9.665000  -14.763000   343   199   222   223   224
   222  O     23.669000   -9.543000  -15.116000   344   221
   223  O     21.664000  -11.021000  -14.722000   344   221
   224  O     21.546000   -8.760000  -15.887000   341   221   225
   225  C     20.261000   -8.170000  -15.731000   337   224   226   232   233
   226  C     20.127000   -6.720000  -16.208000   328   225   227   229   234
   227  O     20.413000   -5.818000  -15.115000   332   226   228
   228  C     21.696000   -5.267000  -15.275000   331   227   230   238   239
   229  C     20.989000   -6.502000  -17.436000   329   226   230   231   235
   230  C     22.000000   -5.825000  -16.619000   330   228   229   236   237
   231  O     20.487000   -5.645000  -18.435000   338   229   253
   232  H     19.979000   -8.139000  -14.684000   340   225
   233  H     19.572000   -8.783000  -16.291000   340   225
   234  H     19.114000   -6.530000  -16.534000   336   226
   235  H     21.439000   -7.391000  -17.884000   335   229
   236  H     22.862000   -6.469000  -16.688000   333   230
   237  H     22.049000   -4.879000  -17.051000   333   230
   238  H     21.652000   -4.170000  -15.373000   334   228
   239  N     22.764000   -5.520000  -14.268000   292   228   240   247
   240  C     22.954000   -4.541000  -13.288000   294   239   241   242
   241  O     22.343000   -3.475000  -13.260000   296   240
   242  N     23.876000   -4.838000  -12.325000   293   240   243   248
   243  C     24.688000   -5.965000  -12.308000   290   242   244   245
   244  O     25.287000   -6.273000  -11.319000   298   243
   245  C     24.562000   -6.890000  -13.415000   289   243   246   247
   246  C     25.163000   -8.297000  -13.211000   288   245   249   250   251
   247  C     23.586000   -6.629000  -14.329000   291   239   245   252
   248  H     23.890000   -4.234000  -11.509000   299   242
   249  H     25.673000   -8.406000  -12.255000   295   246
   250  H     25.772000   -8.590000  -14.051000   295   246
   251  H     24.409000   -9.055000  -13.067000   295   246
   252  H     23.347000   -7.376000  -15.037000   297   247
   253  P     20.649000   -5.946000  -20.011000   343   231   254   255   256
   254  O     22.050000   -6.273000  -20.345000   344   253
   255  O     19.595000   -6.887000  -20.430000   344   253
   256  O     20.303000   -4.452000  -20.559000   341   253   257
   257  C     19.323000   -3.598000  -19.936000   337   256   258   264   265
   258  C     19.715000   -2.120000  -19.805000   328   257   259   261   266
   259  O     20.418000   -1.898000  -18.571000   332   258   260
   260  C     21.797000   -1.801000  -18.825000   331   259   262   270   271
   261  C     20.522000   -1.704000  -21.024000   329   258   262   263   267
   262  C     21.833000   -1.810000  -20.331000   330   260   261   268   269
   263  O     20.281000   -0.378000  -21.461000   338   261   283
   264  H     19.130000   -3.915000  -18.915000   340   257
   265  H     18.399000   -3.655000  -20.497000   340   257
   266  H     18.826000   -1.497000  -19.780000   336   258
   267  H     20.483000   -2.394000  -21.865000   335   261
   268  H     22.505000   -2.511000  -20.832000   333   262
   269  H     22.150000   -0.836000  -20.393000   333   262
   270  H     22.175000   -0.827000  -18.484000   334   260
   271  N     22.677000   -2.814000  -18.203000   262   260   272   278
   272  C     23.350000   -2.517000  -17.015000   266   271   273   274
   273  O     23.247000   -1.412000  -16.474000   270   272
   274  N     24.196000   -3.424000  -16.461000   268   272   275
   275  C     24.419000   -4.546000  -17.121000   267   274   276   277
   276  N     24.946000   -5.534000  -16.478000   264   275   279   280
   277  C     23.852000   -4.865000  -18.377000   263   275   278   281
   278  C     22.994000   -3.959000  -18.881000   265   271   277   282
   279  H     25.233000   -5.355000  -15.521000   272   276
   280  H     24.903000   -6.477000  -16.790000   272   276
   281  H     23.870000   -5.861000  -18.793000   269   277
   282  H     22.474000   -4.177000  -19.779000   271   278
   283  P     20.191000    0.027000  -23.013000   343   263   284   285   286
   284  O     21.324000   -0.526000  -23.783000   344   283
   285  O     18.823000   -0.220000  -23.507000   344   283
   286  O     20.423000    1.630000  -22.851000   341   283   287
   287  C     19.862000    2.393000  -21.760000   337   286   288   294   295
   288  C     20.776000    3.471000  -21.159000   328   287   289   291   296
   289  O     21.600000    2.904000  -20.123000   332   288   290
   290  C     22.874000    2.656000  -20.633000   331   289   292   300   301
   291  C     21.562000    4.118000  -22.285000   329   288   292   293   297
   292  C     22.734000    3.283000  -21.974000   330   290   291   298   299
   293  O     21.865000    5.491000  -22.163000   338   291   316
   294  H     19.637000    1.739000  -20.923000   340   287
   295  H     18.945000    2.875000  -22.081000   340   287
   296  H     20.200000    4.262000  -20.699000   336   288
   297  H     21.216000    3.895000  -23.296000   335   291
   298  H     22.855000    2.620000  -22.821000   333   292
   299  H     23.472000    3.985000  -21.775000   333   292
   300  H     23.667000    3.174000  -20.073000   334   290
   301  N     23.353000    1.277000  -20.718000   281   290   302   311
   302  C     23.314000    0.445000  -21.799000   276   301   303   312
   303  N     24.030000   -0.635000  -21.690000   282   302   304
   304  C     24.499000   -0.515000  -20.380000   279   303   305   311
   305  C     25.047000   -1.475000  -19.511000   274   304   306   307
   306  O     25.128000   -2.645000  -19.726000   285   305
   307  N     25.553000   -0.969000  -18.338000   277   305   308   313
   308  C     25.416000    0.323000  -17.991000   273   307   309   310
   309  N     26.055000    0.726000  -16.930000   278   308   314   315
   310  N     24.755000    1.239000  -18.698000   283   308   311
   311  C     24.235000    0.713000  -19.853000   275   301   304   310
   312  H     22.697000    0.641000  -22.635000   286   302
   313  H     26.024000   -1.625000  -17.728000   284   307
   314  H     26.553000    0.047000  -16.365000   287   309
   315  H     25.943000    1.684000  -16.682000   287   309
   316  P     21.772000    6.530000  -23.393000   343   293   317   318   319
   317  O     22.521000    6.025000  -24.568000   344   316
   318  O     20.376000    6.952000  -23.588000   344   316
   319  O     22.627000    7.742000  -22.717000   341   316   320
   320  C     22.552000    8.064000  -21.312000   337   319   321   327   328
   321  C     23.891000    8.400000  -20.639000   328   320   322   324   329
   322  O     24.522000    7.203000  -20.156000   332   321   323
   323  C     25.544000    6.809000  -21.036000   331   322   325   333   334
   324  C     24.774000    9.158000  -21.621000   329   321   325   326   330
   325  C     25.599000    7.975000  -21.994000   330   323   324   331   332
   326  O     25.588000   10.162000  -21.038000   338   324   346
   327  H     22.168000    7.222000  -20.742000   340   320
   328  H     21.882000    8.904000  -21.172000   340   320
   329  H     23.727000    9.046000  -19.781000   336   321
   330  H     24.253000    9.550000  -22.494000   335   324
   331  H     25.538000    7.762000  -23.062000   333   325
   332  H     26.535000    8.293000  -21.697000   333   325
   333  H     26.497000    6.773000  -20.492000   334   323
   334  N     25.409000    5.489000  -21.701000   262   323   335   341
   335  C     26.059000    4.370000  -21.174000   266   334   336   337
   336  O     26.788000    4.462000  -20.184000   270   335
   337  N     25.998000    3.175000  -21.825000   268   335   338
   338  C     25.360000    3.109000  -22.980000   267   337   339   340
   339  N     25.012000    1.948000  -23.436000   264   338   342   343
   340  C     24.749000    4.226000  -23.604000   263   338   341   344
   341  C     24.819000    5.393000  -22.929000   265   334   340   345
   342  H     25.260000    1.139000  -22.853000   272   339
   343  H     24.219000    1.826000  -24.026000   272   339
   344  H     24.006000    4.127000  -24.382000   269   340
   345  H     24.290000    6.242000  -23.281000   271   341
   346  P     25.847000   11.586000  -21.733000   343   326   347   348   349
   347  O     26.235000   11.428000  -23.150000   344   346
   348  O     24.750000   12.512000  -21.403000   344   346
   349  O     27.186000   12.021000  -20.905000   341   346   350
   350  C     27.349000   11.741000  -19.504000   337   349   351   357   358
   351  C     28.779000   11.306000  -19.126000   328   350   352   354   359
   352  O     28.958000    9.909000  -19.297000   332   351   353
   353  C     29.719000    9.646000  -20.457000   331   352   355   363   365
   354  C     29.879000   12.017000  -19.927000   329   351   355   356   360
   355  C     30.220000   10.992000  -21.003000   330   353   354   361   362
   356  O     31.021000   12.316000  -19.130000   347   354   364
   357  H     26.699000   10.922000  -19.195000   340   350
   358  H     27.057000   12.604000  -18.909000   340   350
   359  H     28.925000   11.518000  -18.067000   336   351
   360  H     29.477000   12.924000  -20.385000   335   354
   361  H     29.700000   11.288000  -21.912000   333   355
   362  H     31.283000   10.943000  -21.218000   333   355
   363  H     30.555000    9.001000  -20.191000   334   353
   364  H     31.690000   12.718000  -19.683000   339   356
   365  N     28.961000    8.881000  -21.465000   281   353   366   375
   366  C     28.312000    9.383000  -22.552000   276   365   367   376
   367  N     28.009000    8.504000  -23.473000   282   366   368
   368  C     28.365000    7.305000  -22.845000   279   367   369   375
   369  C     28.042000    5.960000  -23.165000   274   368   370   371
   370  O     27.315000    5.578000  -24.053000   285   369
   371  N     28.710000    5.030000  -22.396000   277   369   372   377
   372  C     29.538000    5.373000  -21.382000   273   371   373   374
   373  N     30.273000    4.421000  -20.879000   278   372   378   379
   374  N     29.779000    6.619000  -20.972000   283   372   375
   375  C     29.052000    7.538000  -21.680000   275   365   368   374
   376  H     28.018000   10.401000  -22.590000   286   366
   377  H     28.544000    4.057000  -22.611000   284   371
   378  H     30.094000    3.460000  -21.148000   287   373
   379  H     30.869000    4.664000  -20.117000   287   373
   380  O     28.539000   -2.580000  -26.780000   348   381   388
   381  C     29.950000   -2.657000  -26.607000   337   380   382   389   390
   382  C     30.411000   -2.771000  -25.147000   328   381   383   385   391
   383  O     30.675000   -1.459000  -24.625000   332   382   384
   384  C     29.591000   -1.067000  -23.816000   331   383   386   395   396
   385  C     29.376000   -3.539000  -24.340000   329   382   386   387   392
   386  C     28.757000   -2.315000  -23.767000   330   384   385   393   394
   387  O     29.959000   -4.364000  -23.357000   338   385   408
   388  H     28.276000   -2.442000  -27.684000   342   380
   389  H     30.407000   -1.757000  -27.011000   340   381
   390  H     30.303000   -3.544000  -27.123000   340   381
   391  H     31.337000   -3.333000  -25.079000   336   382
   392  H     28.639000   -4.107000  -24.908000   335   385
   393  H     27.691000   -2.224000  -24.000000   333   386
   394  H     28.951000   -2.486000  -22.768000   333   386
   395  H     29.914000   -0.863000  -22.779000   334   384
   396  N     28.882000    0.132000  -24.314000   262   384   397   403
   397  C     29.144000    1.367000  -23.703000   266   396   398   399
   398  O     29.985000    1.496000  -22.810000   270   397
   399  N     28.518000    2.489000  -24.145000   268   397   400
   400  C     27.607000    2.349000  -25.091000   267   399   401   402
   401  N     27.110000    3.428000  -25.610000   264   400   404   405
   402  C     27.252000    1.128000  -25.702000   263   400   403   406
   403  C     27.884000    0.030000  -25.252000   265   396   402   407
   404  H     27.244000    4.252000  -25.038000   272   401
   405  H     26.288000    3.350000  -26.161000   272   401
   406  H     26.455000    1.032000  -26.415000   269   402
   407  H     27.542000   -0.933000  -25.581000   271   403
   408  P     29.387000   -5.833000  -23.028000   343   387   409   410   411
   409  O     27.921000   -5.779000  -22.946000   344   408
   410  O     30.008000   -6.763000  -23.996000   344   408
   411  O     30.037000   -6.026000  -21.556000   341   408   412
   412  C     31.359000   -5.564000  -21.218000   337   411   413   419   420
   413  C     31.515000   -4.920000  -19.834000   328   412   414   416   421
   414  O     31.221000   -3.507000  -19.912000   332   413   415
   415  C     29.925000   -3.298000  -19.420000   331   414   417   425   426
   416  C     30.673000   -5.694000  -18.844000   329   413   417   418   422
   417  C     29.628000   -4.670000  -18.937000   330   415   416   423   424
   418  O     31.187000   -5.806000  -17.539000   338   416   441
   419  H     31.659000   -4.781000  -21.904000   340   412
   420  H     32.060000   -6.387000  -21.283000   340   412
   421  H     32.528000   -5.010000  -19.469000   336   413
   422  H     30.267000   -6.651000  -19.181000   335   416
   423  H     28.798000   -5.174000  -19.415000   333   417
   424  H     29.536000   -4.355000  -17.951000   333   417
   425  H     29.881000   -2.616000  -18.556000   334   415
   426  N     28.883000   -2.792000  -20.322000   281   415   427   436
   427  C     27.965000   -3.507000  -21.041000   276   426   428   437
   428  N     27.039000   -2.791000  -21.615000   282   427   429
   429  C     27.408000   -1.500000  -21.241000   279   428   430   436
   430  C     27.075000   -0.256000  -21.822000   274   429   431   432
   431  O     26.482000   -0.068000  -22.859000   285   430
   432  N     27.550000    0.833000  -21.121000   277   430   433   438
   433  C     28.407000    0.719000  -20.086000   273   432   434   435
   434  N     28.788000    1.822000  -19.496000   278   433   439   440
   435  N     28.982000   -0.413000  -19.705000   283   433   436
   436  C     28.445000   -1.504000  -20.349000   275   426   429   435
   437  H     28.034000   -4.561000  -21.160000   286   427
   438  H     27.193000    1.736000  -21.385000   284   432
   439  H     28.282000    2.673000  -19.695000   287   434
   440  H     29.308000    1.673000  -18.653000   287   434
   441  P     31.075000   -7.169000  -16.678000   343   418   442   443   444
   442  O     29.700000   -7.695000  -16.735000   344   441
   443  O     32.184000   -8.050000  -17.094000   344   441
   444  O     31.376000   -6.537000  -15.213000   341   441   445
   445  C     32.307000   -5.462000  -14.998000   337   444   446   452   453
   446  C     31.856000   -4.372000  -14.019000   328   445   447   449   454
   447  O     31.125000   -3.346000  -14.721000   332   446   448
   448  C     29.746000   -3.524000  -14.488000   331   447   450   458   459
   449  C     31.072000   -5.011000  -12.889000   329   446   450   451   455
   450  C     29.764000   -4.633000  -13.475000   330   448   449   456   457
   451  O     31.295000   -4.399000  -11.634000   338   449   471
   452  H     32.487000   -4.927000  -15.924000   340   445
   453  H     33.241000   -5.874000  -14.637000   340   445
   454  H     32.716000   -3.895000  -13.560000   336   446
   455  H     31.145000   -6.095000  -12.804000   335   449
   456  H     29.116000   -5.500000  -13.628000   333   450
   457  H     29.432000   -4.001000  -12.738000   333   450
   458  H     29.313000   -2.637000  -13.999000   334   448
   459  N     28.871000   -3.809000  -15.644000   262   448   460   466
   460  C     28.172000   -2.765000  -16.255000   266   459   461   462
   461  O     28.276000   -1.596000  -15.869000   270   460
   462  N     27.366000   -3.013000  -17.319000   268   460   463
   463  C     27.172000   -4.273000  -17.668000   267   462   464   465
   464  N     26.689000   -4.500000  -18.846000   264   463   467   468
   465  C     27.786000   -5.384000  -17.041000   263   463   466   469
   466  C     28.615000   -5.100000  -16.019000   265   459   465   470
   467  H     26.334000   -3.701000  -19.366000   272   464
   468  H     26.717000   -5.390000  -19.283000   272   464
   469  H     27.806000   -6.372000  -17.475000   269   465
   470  H     29.158000   -5.888000  -15.554000   271   466
   471  P     31.404000   -5.251000  -10.272000   343   451   472   473   474
   472  O     30.330000   -6.256000  -10.216000   344   471
   473  O     32.805000   -5.702000  -10.134000   344   471
   474  O     31.102000   -4.059000   -9.215000   341   471   475
   475  C     31.591000   -2.717000   -9.389000   337   474   476   482   483
   476  C     30.604000   -1.608000   -9.012000   328   475   477   479   484
   477  O     29.784000   -1.259000  -10.140000   332   476   478
   478  C     28.537000   -1.876000   -9.984000   331   477   480   488   489
   479  C     29.813000   -2.052000   -7.796000   329   476   480   481   485
   480  C     28.655000   -2.473000   -8.620000   330   478   479   486   487
   481  O     29.504000   -0.990000   -6.914000   338   479   504
   482  H     31.815000   -2.535000  -10.434000   340   475
   483  H     32.490000   -2.577000   -8.801000   340   475
   484  H     31.126000   -0.704000   -8.726000   336   476
   485  H     30.211000   -2.902000   -7.243000   335   479
   486  H     28.404000   -3.529000   -8.481000   333   480
   487  H     27.957000   -1.816000   -8.257000   333   480
   488  H     27.703000   -1.156000   -9.988000   334   478
   489  N     28.164000   -2.874000  -10.972000   281   478   490   499
   490  C     28.288000   -4.229000  -10.851000   276   489   491   500
   491  N     27.621000   -4.907000  -11.743000   282   490   492
   492  C     27.056000   -3.891000  -12.512000   279   491   493   499
   493  C     26.480000   -3.954000  -13.789000   274   492   494   495
   494  O     26.424000   -4.937000  -14.473000   285   493
   495  N     25.951000   -2.767000  -14.243000   277   493   496   501
   496  C     26.032000   -1.624000  -13.535000   273   495   497   498
   497  N     25.417000   -0.578000  -14.019000   278   496   502   503
   498  N     26.768000   -1.461000  -12.439000   283   496   499
   499  C     27.306000   -2.651000  -12.004000   275   489   492   498
   500  H     28.865000   -4.683000  -10.085000   286   490
   501  H     25.446000   -2.796000  -15.117000   284   495
   502  H     24.809000   -0.698000  -14.820000   287   497
   503  H     25.385000    0.214000  -13.412000   287   497
   504  P     29.552000   -1.160000   -5.312000   343   481   505   506   507
   505  O     28.887000   -2.412000   -4.918000   344   504
   506  O     30.944000   -0.930000   -4.870000   344   504
   507  O     28.630000    0.110000   -4.903000   341   504   508
   508  C     28.679000    1.369000   -5.599000   337   507   509   515   516
   509  C     27.320000    2.041000   -5.826000   328   508   510   512   517
   510  O     26.730000    1.590000   -7.056000   332   509   511
   511  C     25.750000    0.631000   -6.758000   331   510   513   521   522
   512  C     26.441000    1.799000   -4.613000   329   509   513   514   518
   513  C     25.701000    0.685000   -5.259000   330   511   512   519   520
   514  O     25.603000    2.897000   -4.306000   338   512   536
   515  H     29.081000    1.227000   -6.596000   340   508
   516  H     29.311000    2.062000   -5.056000   340   508
   517  H     27.434000    3.115000   -5.918000   336   509
   518  H     26.951000    1.449000   -3.716000   335   512
   519  H     25.806000   -0.252000   -4.705000   333   513
   520  H     24.752000    1.086000   -5.241000   333   513
   521  H     24.759000    0.908000   -7.149000   334   511
   522  N     25.998000   -0.724000   -7.255000   252   511   523   531
   523  C     26.541000   -1.761000   -6.551000   248   522   524   532
   524  N     26.391000   -2.940000   -7.105000   255   523   525
   525  C     25.720000   -2.602000   -8.284000   250   524   526   531
   526  C     25.453000   -3.299000   -9.446000   249   525   527   528
   527  N     25.925000   -4.486000   -9.620000   253   526   533   534
   528  N     24.706000   -2.779000  -10.425000   257   526   529
   529  C     24.303000   -1.528000  -10.259000   254   528   530   535
   530  N     24.635000   -0.673000   -9.302000   256   529   531
   531  C     25.400000   -1.280000   -8.346000   247   522   525   530
   532  H     27.007000   -1.618000   -5.610000   258   523
   533  H     25.863000   -4.920000  -10.538000   260   527
   534  H     26.667000   -4.852000   -9.044000   260   527
   535  H     23.642000   -1.136000  -11.019000   259   529
   536  P     25.303000    3.359000   -2.794000   343   514   537   538   539
   537  O     25.005000    2.190000   -1.952000   344   536
   538  O     26.388000    4.272000   -2.369000   344   536
   539  O     23.945000    4.215000   -3.065000   341   536   540
   540  C     23.760000    5.038000   -4.237000   337   539   541   547   548
   541  C     22.365000    4.998000   -4.896000   328   540   542   544   549
   542  O     22.296000    3.910000   -5.843000   332   541   543
   543  C     21.625000    2.830000   -5.250000   331   542   545   553   554
   544  C     21.328000    4.942000   -3.792000   329   541   545   546   550
   545  C     21.207000    3.473000   -3.979000   330   543   544   551   552
   546  O     20.049000    5.557000   -3.960000   338   544   568
   547  H     24.435000    4.712000   -5.020000   340   540
   548  H     23.982000    6.069000   -3.984000   340   540
   549  H     22.161000    5.912000   -5.434000   336   541
   550  H     21.743000    5.184000   -2.815000   335   544
   551  H     21.615000    3.005000   -3.091000   333   545
   552  H     20.188000    3.348000   -4.168000   333   545
   553  H     20.720000    2.529000   -5.801000   334   543
   554  N     22.349000    1.566000   -5.003000   252   543   555   563
   555  C     22.974000    1.149000   -3.856000   248   554   556   564
   556  N     23.404000   -0.085000   -3.872000   255   555   557
   557  C     22.988000   -0.491000   -5.143000   250   556   558   563
   558  C     23.286000   -1.584000   -5.935000   249   557   559   560
   559  N     24.182000   -2.431000   -5.577000   253   558   565   566
   560  N     22.674000   -1.800000   -7.103000   257   558   561
   561  C     21.839000   -0.861000   -7.516000   254   560   562   567
   562  N     21.581000    0.314000   -6.960000   256   561   563
   563  C     22.240000    0.454000   -5.775000   247   554   557   562
   564  H     23.178000    1.807000   -3.049000   258   555
   565  H     24.457000   -3.195000   -6.185000   260   559
   566  H     24.769000   -2.293000   -4.771000   260   559
   567  H     21.308000   -1.065000   -8.434000   259   561
   568  P     19.272000    6.535000   -2.881000   343   546   569   570   571
   569  O     18.909000    5.940000   -1.595000   344   568
   570  O     19.955000    7.848000   -2.858000   344   568
   571  O     17.861000    6.627000   -3.650000   341   568   572
   572  C     17.736000    6.697000   -5.067000   337   571   573   579   580
   573  C     16.637000    5.828000   -5.709000   328   572   574   576   581
   574  O     17.181000    4.532000   -6.049000   332   573   575
   575  C     16.761000    3.577000   -5.104000   331   574   577   585   586
   576  C     15.435000    5.779000   -4.784000   329   573   577   578   582
   577  C     15.829000    4.426000   -4.321000   330   575   576   583   584
   578  O     14.104000    5.717000   -5.301000   338   576   600
   579  H     18.658000    6.375000   -5.539000   340   572
   580  H     17.537000    7.733000   -5.297000   340   572
   581  H     16.281000    6.296000   -6.615000   336   573
   582  H     15.498000    6.500000   -3.971000   335   576
   583  H     16.094000    4.527000   -3.284000   333   577
   584  H     14.993000    3.841000   -4.541000   333   577
   585  H     16.158000    2.786000   -5.578000   334   575
   586  N     17.751000    2.858000   -4.247000   292   575   587   594
   587  C     18.160000    1.597000   -4.693000   294   586   588   589
   588  O     17.696000    1.048000   -5.689000   296   587
   589  N     19.145000    0.995000   -3.961000   293   587   590   595
   590  C     19.676000    1.484000   -2.776000   290   589   591   592
   591  O     20.680000    1.022000   -2.316000   298   590
   592  C     19.137000    2.731000   -2.272000   289   590   593   594
   593  C     19.968000    3.458000   -1.195000   288   592   596   597   598
   594  C     18.208000    3.363000   -3.041000   291   586   592   599
   595  H     19.572000    0.166000   -4.360000   299   589
   596  H     20.855000    2.904000   -0.897000   295   593
   597  H     19.350000    3.759000   -0.363000   295   593
   598  H     20.457000    4.339000   -1.576000   295   593
   599  H     17.933000    4.347000   -2.767000   297   594
   600  P     12.814000    6.622000   -4.817000   343   578   601   602   603
   601  O     12.347000    6.427000   -3.442000   344   600
   602  O     12.998000    8.010000   -5.294000   344   600
   603  O     11.685000    5.861000   -5.668000   341   600   604
   604  C     11.895000    5.354000   -6.980000   337   603   605   611   612
   605  C     11.327000    3.960000   -7.260000   328   604   606   608   613
   606  O     12.327000    2.957000   -6.969000   332   605   607
   607  C     12.031000    2.329000   -5.747000   331   606   609   617   618
   608  C     10.025000    3.776000   -6.507000   329   605   609   610   614
   609  C     10.711000    2.966000   -5.496000   330   607   608   615   616
   610  O      9.007000    3.037000   -7.143000   338   608   632
   611  H     12.957000    5.263000   -7.190000   340   604
   612  H     11.436000    6.057000   -7.658000   340   604
   613  H     11.066000    3.869000   -8.305000   336   605
   614  H      9.609000    4.662000   -6.022000   335   608
   615  H     10.624000    3.550000   -4.594000   333   609
   616  H     10.210000    2.055000   -5.551000   333   609
   617  H     11.858000    1.249000   -5.883000   334   607
   618  N     12.969000    2.426000   -4.594000   292   607   619   626
   619  C     13.859000    1.362000   -4.412000   294   618   620   621
   620  O     13.857000    0.345000   -5.100000   296   619
   621  N     14.768000    1.517000   -3.404000   293   619   622   627
   622  C     14.804000    2.578000   -2.508000   290   621   623   624
   623  O     15.764000    2.765000   -1.818000   298   622
   624  C     13.779000    3.593000   -2.640000   289   622   625   626
   625  C     14.038000    4.933000   -1.918000   288   624   628   629   630
   626  C     12.926000    3.474000   -3.694000   291   618   624   631
   627  H     15.534000    0.853000   -3.380000   299   621
   628  H     14.957000    4.930000   -1.335000   295   625
   629  H     13.177000    5.246000   -1.349000   295   625
   630  H     14.293000    5.730000   -2.599000   295   625
   631  H     12.294000    4.289000   -3.924000   297   626
   632  P      7.450000    3.447000   -7.069000   343   610   633   634   635
   633  O      7.034000    3.697000   -5.674000   344   632
   634  O      7.181000    4.491000   -8.074000   344   632
   635  O      6.824000    2.028000   -7.568000   341   632   636
   636  C      7.456000    1.202000   -8.564000   337   635   637   643   644
   637  C      7.451000   -0.306000   -8.280000   328   636   638   640   645
   638  O      8.608000   -0.674000   -7.512000   332   637   639
   639  C      8.243000   -0.849000   -6.165000   331   638   641   649   650
   640  C      6.146000   -0.684000   -7.596000   329   637   641   642   646
   641  C      6.743000   -0.726000   -6.235000   330   639   640   647   648
   642  O      5.634000   -1.951000   -7.969000   338   640   662
   643  H      8.509000    1.451000   -8.660000   340   636
   644  H      6.973000    1.368000   -9.519000   340   636
   645  H      7.498000   -0.864000   -9.210000   336   637
   646  H      5.362000    0.070000   -7.641000   335   640
   647  H      6.244000   -0.039000   -5.548000   333   641
   648  H      6.587000   -1.713000   -6.000000   333   641
   649  H      8.484000   -1.871000   -5.841000   334   639
   650  N      8.868000    0.046000   -5.167000   262   639   651   657
   651  C      9.977000   -0.390000   -4.437000   266   650   652   653
   652  O     10.443000   -1.523000   -4.588000   270   651
   653  N     10.528000    0.409000   -3.487000   268   651   654
   654  C      9.936000    1.559000   -3.225000   267   653   655   656
   655  N     10.607000    2.454000   -2.579000   264   654   658   659
   656  C      8.752000    2.015000   -3.852000   263   654   657   660
   657  C      8.252000    1.215000   -4.811000   265   650   656   661
   658  H     11.523000    2.181000   -2.240000   272   655
   659  H     10.367000    3.419000   -2.570000   272   655
   660  H      8.410000    3.036000   -3.786000   269   656
   661  H      7.414000    1.538000   -5.375000   271   657
   662  P      4.069000   -2.227000   -8.199000   343   642   663   664   665
   663  O      3.257000   -1.699000   -7.084000   344   662
   664  O      3.699000   -1.844000   -9.576000   344   662
   665  O      4.097000   -3.850000   -8.081000   341   662   666
   666  C      5.170000   -4.653000   -8.622000   337   665   667   673   674
   667  C      5.620000   -5.837000   -7.754000   328   666   668   670   675
   668  O      6.629000   -5.414000   -6.817000   332   667   669
   669  C      6.042000   -5.219000   -5.567000   331   668   671   679   680
   670  C      4.394000   -6.450000   -7.102000   329   667   671   672   676
   671  C      4.675000   -5.728000   -5.849000   330   669   670   677   678
   672  O      4.394000   -7.847000   -6.898000   338   670   695
   673  H      6.067000   -4.052000   -8.736000   340   666
   674  H      4.886000   -5.041000   -9.593000   340   666
   675  H      6.065000   -6.618000   -8.355000   336   667
   676  H      3.431000   -6.126000   -7.500000   335   670
   677  H      3.870000   -5.013000   -5.738000   333   671
   678  H      4.765000   -6.496000   -5.156000   333   671
   679  H      6.501000   -5.835000   -4.779000   334   669
   680  N      6.020000   -3.875000   -4.989000   281   669   681   690
   681  C      5.008000   -2.961000   -5.040000   276   680   682   691
   682  N      5.140000   -1.948000   -4.237000   282   681   683
   683  C      6.398000   -2.203000   -3.687000   279   682   684   690
   684  C      7.291000   -1.355000   -3.007000   274   683   685   686
   685  O      7.154000   -0.180000   -2.850000   285   684
   686  N      8.381000   -1.985000   -2.460000   277   684   687   692
   687  C      8.644000   -3.287000   -2.672000   273   686   688   689
   688  N      9.622000   -3.816000   -1.993000   278   687   693   694
   689  N      7.926000   -4.095000   -3.450000   283   687   690
   690  C      6.854000   -3.445000   -4.008000   275   680   683   689
   691  H      4.210000   -3.047000   -5.729000   286   681
   692  H      9.000000   -1.414000   -1.897000   284   686
   693  H     10.195000   -3.220000   -1.405000   287   688
   694  H      9.808000   -4.779000   -2.161000   287   688
   695  P      3.102000   -8.778000   -7.158000   343   672   696   697   698
   696  O      1.913000   -8.239000   -6.457000   344   695
   697  O      2.984000   -9.082000   -8.592000   344   695
   698  O      3.623000  -10.097000   -6.354000   341   695   699
   699  C      5.003000  -10.521000   -6.354000   337   698   700   706   707
   700  C      5.545000  -11.003000   -5.001000   328   699   701   703   708
   701  O      6.064000   -9.896000   -4.247000   332   700   702
   702  C      5.139000   -9.509000   -3.262000   331   701   704   712   713
   703  C      4.447000  -11.745000   -4.251000   329   700   704   705   709
   704  C      4.099000  -10.599000   -3.365000   330   702   703   710   711
   705  O      4.892000  -12.847000   -3.478000   338   703   725
   706  H      5.659000   -9.700000   -6.631000   340   699
   707  H      5.132000  -11.319000   -7.076000   340   699
   708  H      6.365000  -11.701000   -5.154000   336   700
   709  H      3.591000  -12.030000   -4.861000   335   703
   710  H      3.056000  -10.300000   -3.484000   333   704
   711  H      4.299000  -11.006000   -2.438000   333   704
   712  H      5.610000   -9.584000   -2.273000   334   702
   713  N      4.584000   -8.135000   -3.340000   262   702   714   720
   714  C      5.138000   -7.110000   -2.571000   266   713   715   716
   715  O      6.061000   -7.332000   -1.783000   270   714
   716  N      4.582000   -5.867000   -2.584000   268   714   717
   717  C      3.486000   -5.667000   -3.295000   267   716   718   719
   718  N      3.143000   -4.452000   -3.583000   264   717   721   722
   719  C      2.832000   -6.685000   -4.033000   263   717   720   723
   720  C      3.414000   -7.903000   -4.007000   265   713   719   724
   721  H      3.762000   -3.710000   -3.233000   272   718
   722  H      2.625000   -4.228000   -4.405000   272   718
   723  H      2.122000   -6.473000   -4.819000   269   719
   724  H      3.043000   -8.682000   -4.623000   271   720
   725  P      4.079000  -14.228000   -3.380000   343   705   726   727   728
   726  O      2.652000  -13.988000   -3.082000   344   725
   727  O      4.424000  -15.095000   -4.519000   344   725
   728  O      4.769000  -14.821000   -2.024000   341   725   729
   729  C      6.170000  -14.663000   -1.741000   337   728   730   736   737
   730  C      6.469000  -14.362000   -0.258000   328   729   731   733   738
   731  O      6.385000  -12.973000    0.016000   332   730   732
   732  C      5.193000  -12.676000    0.711000   331   731   734   742   744
   733  C      5.537000  -15.086000    0.724000   329   730   734   735   739
   734  C      4.515000  -14.009000    1.067000   330   732   733   740   741
   735  O      6.221000  -15.528000    1.892000   347   733   743
   736  H      6.586000  -13.825000   -2.302000   340   729
   737  H      6.723000  -15.546000   -2.056000   340   729
   738  H      7.495000  -14.666000   -0.055000   336   730
   739  H      5.047000  -15.924000    0.222000   335   733
   740  H      3.629000  -14.195000    0.463000   333   734
   741  H      4.224000  -14.019000    2.112000   333   734
   742  H      5.440000  -12.115000    1.612000   334   732
   743  H      5.592000  -15.933000    2.488000   339   735
   744  N      4.303000  -11.783000   -0.055000   281   732   745   754
   745  C      3.235000  -12.151000   -0.816000   276   744   746   755
   746  N      2.406000  -11.183000   -1.114000   282   745   747
   747  C      3.089000  -10.065000   -0.623000   279   746   748   754
   748  C      2.893000   -8.681000   -0.862000   274   747   749   750
   749  O      2.093000   -8.180000   -1.618000   285   748
   750  N      3.673000   -7.864000   -0.072000   277   748   751   756
   751  C      4.594000   -8.342000    0.797000   273   750   752   753
   752  N      5.107000   -7.488000    1.637000   278   751   757   758
   753  N      4.894000   -9.630000    0.969000   283   751   754
   754  C      4.180000  -10.438000    0.125000   275   744   747   753
   755  H      3.147000  -13.140000   -1.189000   286   745
   756  H      3.543000   -6.867000   -0.176000   284   750
   757  H      4.923000   -6.498000    1.515000   287   752
   758  H      5.802000   -7.831000    2.265000   287   752