  P1      4.907  -6.417   0.069
  O2      5.629  -6.646   1.242
  O3      4.287  -7.566  -0.877
  O4      3.377  -5.633   0.287
  C5      3.085  -5.957   1.667
  C6      2.016  -4.985   2.058
  O7      2.463  -3.715   2.531
  O8      1.821  -2.760   1.719
  C9      1.486  -3.352   0.391
 C10      1.081  -4.707   0.868
 N11      2.842  -1.755   1.589
 C12      2.500  -0.439   1.767
 O13      1.304  -0.074   1.901
 N14      3.570   0.385   1.684
 C15      4.826   0.002   1.415
 O16      5.731   0.905   1.328
 C17      5.140  -1.364   1.237
 C18      4.101  -2.178   1.354
 O19     -0.233  -4.597   1.428
 P20     -1.359  -5.719   1.606
 O21     -2.458  -4.650   1.962
 O22     -1.821  -6.007   0.208
 O23     -1.124  -6.704   2.739
 C24     -1.475  -6.347   4.133
 C25     -0.703  -7.343   4.979
 O26      0.542  -7.413   4.337
 C27      1.606  -7.717   5.227
 C28      1.011  -7.664   6.633
 C29     -0.368  -7.062   6.425
 N30      2.733  -6.790   5.214
 C31      4.070  -7.085   5.235
 N32      5.005  -6.113   5.283
 C33      3.944  -4.956   5.305
 C34      2.647  -5.419   5.287
 N35      1.508  -4.711   5.296
 C36      1.739  -3.412   5.331
 N37      0.707  -2.574   5.361
 N38      2.974  -2.845   5.348
 C39      4.158  -3.547   5.331
 O40      5.231  -2.916   5.378
 O41      6.026  -4.847   0.227
 O42     -1.185  -7.643   7.462
 C43      5.932  -3.850  -0.810
 P44     -3.104  -7.458   7.305
 C45      6.008  -4.281  -2.256
 C46      7.143  -2.957  -0.602
 O47     -2.941  -8.198   8.477
 O48     -4.408  -7.496   6.358
 O49     -3.189  -5.741   7.522
 C50      4.759  -4.451  -3.103
 O51      6.691  -3.237  -2.898
 C52      7.486  -2.468  -2.009
 C53     -3.616  -5.651   8.902
 O54      5.244  -4.326  -4.496
 N55      7.247  -1.028  -2.022
 C56     -3.309  -4.238   9.293
 P57      4.273  -4.036  -5.629
 C58      8.171  -0.018  -2.000
 C59      6.017  -0.417  -1.948
 O60     -1.986  -3.990   9.766
 C61     -3.536  -3.289   8.103
 O62      3.865  -2.500  -5.807
 O63      2.798  -4.454  -5.273
 O64      4.292  -4.581  -7.027
 N65      7.797   1.278  -1.952
 C66      6.264   0.938  -1.930
 N67      4.834  -1.050  -1.939
 O68     -1.480  -2.958   8.954
 C69     -2.160  -2.963   7.626
 O70     -4.098  -2.097   8.663
 C71      4.616  -1.417  -6.367
 C72      5.151   1.828  -1.904
 C73      3.825  -0.200  -1.904
 N74     -0.099  -3.339   8.824
 P75     -5.632  -1.683   8.841
 C76      5.324  -0.747  -5.178
 C77      3.646  -0.389  -6.844
 N78      3.950   1.153  -1.887
 O79      5.141   3.072  -1.857
 N80      2.582  -0.675  -1.874
 C81      0.870  -2.385   9.002
 C82      0.165  -4.640   8.590
 O83     -5.256  -0.196   9.197
 O84     -6.113  -1.426   7.444
 O85     -6.368  -2.378   9.974
 C86      6.702  -0.307  -5.568
 O87      4.449   0.275  -4.704
 O88      3.301   0.197  -5.516
 O89      0.589  -1.166   9.137
 N90      2.118  -2.899   8.919
 C91      1.388  -5.133   8.472
 C92     -6.234  -1.896  11.368
 O93      6.567   0.108  -6.949
 N94      2.941   1.583  -5.646
 C95      2.415  -4.179   8.650
 C96     -6.711  -3.062  12.214
 P97      8.011   1.041  -7.166
 C98      1.630   1.945  -5.468
 C99      3.936   2.463  -5.881
O100      3.649  -4.511   8.563
O101     -6.149  -4.176  11.572
C102     -6.300  -3.212  13.660
O103      8.570   1.552  -5.994
O104      8.696  -0.070  -8.112
O105      7.211   2.795  -7.008
O106      0.716   1.093  -5.334
N107      1.452   3.284  -5.551
C108      3.752   3.769  -5.998
C109     -5.880  -5.249  12.462
C110     -6.132  -4.708  13.868
O111     -7.211  -2.795  14.697
C112      6.300   3.212  -8.045
C113      2.411   4.180  -5.820
N114     -4.514  -5.762  12.449
P115     -8.011  -1.041  14.539
C116      6.711   3.062  -9.491
C117      6.132   4.708  -7.837
O118      2.082   5.416  -5.907
C119     -4.101  -7.067  12.470
C120     -3.370  -5.002  12.522
O121     -8.570  -1.552  15.711
O122     -8.696   0.070  13.593
O123     -6.567  -0.108  14.756
C124      6.234   1.896 -10.337
O125      6.149   4.176 -10.133
C126      5.880   5.249  -9.243
N127     -2.792  -7.391  12.518
C128     -2.320  -5.894  12.540
N129     -3.326  -3.661  12.531
C130     -6.702   0.307  16.137
O131      6.368   2.378 -11.731
N132      4.514   5.762  -9.256
C133     -0.992  -5.375  12.566
C134     -2.085  -3.212  12.566
C135     -5.324   0.747  16.527
P136      5.632   1.683 -12.864
C137      4.101   7.067  -9.235
C138      3.370   5.002  -9.183
N139     -0.977  -3.997  12.583
O140      0.090  -5.989  12.614
N141     -1.876  -1.899  12.596
O142     -4.449  -0.275  17.001
C143     -4.616   1.417  15.338
O144      4.098   2.097 -13.042
O145      5.256   0.196 -12.508
O146      6.113   1.426 -14.261
N147      2.792   7.391  -9.187
C148      2.320   5.894  -9.165
N149      3.326   3.661  -9.174
O150     -3.301  -0.197  16.189
C151     -3.646   0.389  14.861
O152     -3.865   2.500  15.898
C153      3.536   3.289 -13.602
C154      0.992   5.375  -9.139
C155      2.085   3.212  -9.139
N156     -2.941  -1.583  16.059
P157     -4.273   4.036  16.076
C158      3.309   4.238 -12.412
C159      2.160   2.963 -14.079
N160      0.977   3.997  -9.122
O161     -0.090   5.989  -9.091
N162      1.876   1.899  -9.109
C163     -1.630  -1.945  16.237
C164     -3.936  -2.463  15.824
O165     -2.798   4.454  16.432
O166     -4.292   4.581  14.678
O167     -5.244   4.326  17.209
C168      3.616   5.651 -12.803
O169      1.986   3.990 -11.939
O170      1.480   2.958 -12.751
O171     -0.716  -1.093  16.371
N172     -1.452  -3.284  16.154
C173     -3.752  -3.769  15.707
C174     -4.759   4.451  18.602
O175      3.189   5.741 -14.183
N176      0.099   3.339 -12.881
C177     -2.411  -4.180  15.885
C178     -6.008   4.281  19.449
P179      3.104   7.458 -14.400
C180     -0.870   2.385 -12.703
C181     -0.165   4.640 -13.115
O182     -2.082  -5.416  15.798
O183     -6.691   3.237  18.807
C184     -5.932   3.850  20.895
O185      2.941   8.198 -13.228
O186      4.408   7.496 -15.347
O187      1.185   7.643 -14.243
O188     -0.589   1.166 -12.568
N189     -2.118   2.899 -12.786
C190     -1.388   5.133 -13.233
C191     -7.486   2.468  19.696
C192     -7.143   2.957  21.103
O193     -6.026   4.847  21.932
C194      0.368   7.062 -15.280
C195     -2.415   4.179 -13.055
N196     -7.247   1.028  19.683
P197     -4.907   6.417  21.774
C198      0.703   7.343 -16.726
C199     -1.011   7.664 -15.072
O200     -3.649   4.511 -13.142
C201     -8.171   0.018  19.705
C202     -6.017   0.417  19.757
O203     -5.629   6.646  22.947
O204     -4.287   7.566  20.828
O205     -3.377   5.633  21.992
C206      1.475   6.347 -17.572
O207     -0.542   7.413 -17.368
C208     -1.606   7.717 -16.478
N209     -7.797  -1.278  19.753
C210     -6.264  -0.938  19.775
N211     -4.834   1.050  19.766
C212     -3.085   5.957  23.372
O213      1.124   6.704 -18.966
N214     -2.733   6.790 -16.491
C215     -5.151  -1.828  19.801
C216     -3.825   0.200  19.801
C217     -2.016   4.985  23.763
P218      1.359   5.719 -20.099
C219     -4.070   7.085 -16.470
C220     -2.647   5.419 -16.418
N221     -3.950  -1.153  19.818
O222     -5.141  -3.072  19.848
N223     -2.582   0.675  19.831
O224     -2.463   3.715  24.236
C225     -1.081   4.707  22.573
O226      0.233   4.597 -20.277
O227      2.458   4.650 -19.743
O228      1.821   6.007 -21.497
N229     -5.005   6.113 -16.422
C230     -3.944   4.956 -16.400
N231     -1.508   4.711 -16.409
O232     -1.821   2.760  23.424
C233     -1.486   3.352  22.096
O234      0.233   4.597  23.133
C235     -1.081   4.707 -20.837
C236     -4.158   3.547 -16.374
C237     -1.739   3.412 -16.374
N238     -2.842   1.755  23.294
N239     -2.974   2.845 -16.357
O240     -5.231   2.916 -16.327
N241     -0.707   2.574 -16.344
C242     -2.500   0.439  23.472
C243     -4.101   2.178  23.059
O244     -1.304   0.074  23.606
N245     -3.570  -0.385  23.389
C246     -5.140   1.364  22.942
C247     -4.826  -0.002  23.120
O248     -5.731  -0.905  23.033

*s-C6-C10

P1-O2
P1-O3
P1-O4-C5-C6-O7-O8-C9
C6-C10
O8-N11-C12-O13
C12-N14-C15-O16
C15-C17
N11-C18
C10-O19-P20-O21
P20-O22
P20-O23-C24-C25-O26-C27-C28
C25-C29
C27-N30-C31-N32-C33
N30-C34-N35-C36-N37
C36-N38
C33-C39-O40
P1-O41
C29-O42
O41-C43
O42-P44
C43-C45
C43-C46
P44-O47
P44-O48
P44-O49
C45-C50
C45-O51
C46-C52
O49-C53
C50-O54
C52-N55
C53-C56
O54-P57
N55-C58
N55-C59
C56-O60
C56-C61
P57-O62
P57-O63
P57-O64
C58-N65
C59-C66
C59-N67
O60-O68
C61-C69
C61-O70
O62-C71
C66-C72
N67-C73
O68-N74
O70-P75
C71-C76
C71-C77
C72-N78
C72-O79
C73-N80
N74-C81
N74-C82
P75-O83
P75-O84
P75-O85
C76-C86
C76-O87
C77-O88
C81-O89
C81-N90
C82-C91
O85-C92
C86-O93
O88-N94
N90-C95
C92-C96
O93-P97
N94-C98
N94-C99
C95-O100
C96-O101
C96-C102
P97-O103
P97-O104
P97-O105
C98-O106
C98-N107
C99-C108
O101-C109
C102-C110
C102-O111
O105-C112
N107-C113
C109-N114
O111-P115
C112-C116
C112-C117
C113-O118
N114-C119
N114-C120
P115-O121
P115-O122
P115-O123
C116-C124
C116-O125
C117-C126
C119-N127
C120-C128
C120-N129
O123-C130
C124-O131
C126-N132
C128-C133
N129-C134
C130-C135
O131-P136
N132-C137
N132-C138
C133-N139
C133-O140
C134-N141
C135-O142
C135-C143
P136-O144
P136-O145
P136-O146
C137-N147
C138-C148
C138-N149
O142-O150
C143-C151
C143-O152
O144-C153
C148-C154
N149-C155
O150-N156
O152-P157
C153-C158
C153-C159
C154-N160
C154-O161
C155-N162
N156-C163
N156-C164
P157-O165
P157-O166
P157-O167
C158-C168
C158-O169
C159-O170
C163-O171
C163-N172
C164-C173
O167-C174
C168-O175
O170-N176
N172-C177
C174-C178
O175-P179
N176-C180
N176-C181
C177-O182
C178-O183
C178-C184
P179-O185
P179-O186
P179-O187
C180-O188
C180-N189
C181-C190
O183-C191
C184-C192
C184-O193
O187-C194
N189-C195
C191-N196
O193-P197
C194-C198
C194-C199
C195-O200
N196-C201
N196-C202
P197-O203
P197-O204
P197-O205
C198-C206
C198-O207
C199-C208
C201-N209
C202-C210
C202-N211
O205-C212
C206-O213
C208-N214
C210-C215
N211-C216
C212-C217
O213-P218
N214-C219
N214-C220
C215-N221
C215-O222
C216-N223
C217-O224
C217-C225
P218-O226
P218-O227
P218-O228
C219-N229
C220-C230
C220-N231
O224-O232
C225-C233
C225-O234
O226-C235
C230-C236
N231-C237
O232-N238
C236-N239
C236-O240
C237-N241
N238-C242
N238-C243
C242-O244
C242-N245
C243-C246
N245-C247-O248
C9-C10
C17-C18
C28-C29
C33-C34
N38-C39
O51-C52
N65-C66
O68-C69
C73-N78
O87-O88
C91-C95
C108-C113
C109-C110
O125-C126
N127-C128
C134-N139
N147-C148
O150-C151
C155-N160
O169-O170
C173-C177
C190-C195
C191-C192
O207-C208
N209-C210
C216-N221
N229-C230
O232-C233
C237-N239
C246-C247

