  C1     11.366   8.716   0.103
  C2     12.195   8.112  -1.034
  O3     11.337   7.684  -2.111
  C4     12.969   6.933  -0.508
  O5     13.884   6.494  -1.537
  C6     13.766   7.290   0.736
  O7     14.175   6.029   1.310
  C8     12.913   8.026   1.800
  O9     12.233   9.118   1.150
 C10     13.721   8.581   2.914
 O11     14.958   9.193   2.483
 C12      6.536   7.151   1.688
 C13      6.833   7.076   0.189
 O14      6.090   5.991  -0.404
 C15      8.304   6.930  -0.048
 O16      8.559   6.975  -1.462
 C17      9.057   8.033   0.657
 C18      8.678   8.119   2.126
 O19     10.453   7.722   0.558
 O20      7.238   8.232   2.248
 C21      9.244   9.358   2.818
 O22      9.024  10.559   2.061
 C23      5.803   2.977   4.914
 C24      5.287   2.838   3.503
 O25      5.467   1.449   3.146
 C26      6.048   3.724   2.556
 O27      5.439   3.697   1.250
 C28      5.995   5.173   3.053
 O29      6.944   5.908   2.253
 C30      6.419   5.282   4.524
 O31      5.673   4.351   5.322
 C32      6.176   6.655   5.113
 O33      4.822   7.080   4.956
 C34     10.140   0.601   6.881
 C35      9.218  -0.297   6.034
 O36     10.081  -1.145   5.285
 C37      8.339   0.563   5.139
 O38      7.365  -0.285   4.514
 C39      7.626   1.670   5.933
 O40      7.158   2.605   4.920
 C41      8.571   2.425   6.865
 O42      9.346   1.494   7.650
 C43      7.837   3.277   7.907
 O44      6.999   2.481   8.743
 C45     14.906   2.444   5.463
 C46     14.668   0.927   5.482
 O47     15.395   0.360   4.398
 C48     13.195   0.616   5.386
 O49     13.015  -0.792   5.615
 C50     12.391   1.389   6.394
 O51     11.004   1.280   6.010
 C52     12.729   2.894   6.361
 O53     14.152   3.063   6.490
 C54     12.106   3.679   7.502
 O55     12.616   3.277   8.782
 C56     15.552   5.766   1.421
 C57     15.780   4.294   1.000
 O58     15.255   4.110  -0.314
 C59     15.036   3.367   1.958
 O60     15.415   1.997   1.707
 C61     15.394   3.679   3.408
 O62     14.469   2.924   4.183
 C63     15.239   5.173   3.718
 O64     16.008   5.942   2.743
 C65     15.786   5.567   5.075
 O66     17.191   5.150   5.185

*s-C1-C2

C1-C2-O3
C2-C4-O5
C4-C6-O7
C6-C8
C1-O9
C8-C10-O11
C12-C13-O14
C13-C15-O16
C15-C17-C18
C1-O19
C12-O20
C18-C21-O22
C23-C24-O25
C24-C26-O27
C26-C28
C12-O29
C28-C30
C23-O31
C30-C32-O33
C34-C35-O36
C35-C37-O38
C37-C39
C23-O40
C39-C41
C34-O42
C41-C43-O44
C45-C46-O47
C46-C48-O49
C48-C50
C34-O51
C50-C52
C45-O53
C52-C54-O55
O7-C56-C57-O58
C57-C59-O60
C59-C61
C45-O62
C61-C63
C56-O64
C63-C65-O66
C8-O9
C17-O19
C18-O20
C28-O29
C30-O31
C39-O40
C41-O42
C50-O51
C52-O53
C61-O62
C63-O64

