 O12      7.010   6.597   3.011
 C13      7.676   5.615   2.672
 N14      8.783   5.166   3.298
 N15      7.440   4.846   1.580
 C16      9.359   5.778   4.481
 C17      8.431   3.804   1.413
 O18      7.422   6.723   6.401
 C19      8.133   5.740   6.619
 N20      8.207   5.051   7.812
 N21      8.984   5.169   5.724
 C22      7.487   5.447   9.011
 C23      9.765   4.092   6.331
 O24      4.724   6.173   8.585
 C25      5.057   5.105   9.107
 N26      4.174   4.191   9.660
 N27      6.327   4.640   9.259
 C28      2.740   4.395   9.698
 C29      6.362   3.426  10.065
 O30      8.150   0.689   2.971
 C31      8.357   1.854   2.668
 N32      7.940   2.466   1.535
 N33      9.084   2.748   3.402
 C34      9.908   2.324   4.500
 C35      9.323   3.957   2.679
 O36      8.595   0.798   6.566
 C37      8.889   1.968   6.736
 N38      9.443   2.786   5.802
 N39      8.739   2.678   7.893
 C40      8.282   2.074   9.102
 C41      9.236   4.033   7.788
 O42      6.068   0.350   8.374
 C43      5.904   1.393   9.019
 N44      4.706   1.843   9.505
 N45      6.874   2.273   9.364
 C46      6.420   5.151   0.618
 C47      4.861   3.065  10.248
 N55      2.017   3.704   8.658
 C56      7.218   1.776   0.496
 C57      3.538   1.019   9.575
 N58      5.252   4.327   0.689
 C59      1.527   2.366   8.780
 C60      1.601   4.316   7.526
 N61      5.784   1.979   0.533
 N62      2.518   1.325   8.614
 C63      4.054   4.778   1.174
 C64      5.096   3.105  -0.054
 C65      0.635   2.213   7.515
 O66      1.808   5.482   7.223
 N67      0.874   3.422   6.792
 C68      4.901   1.065   1.087
 C69      2.282   0.555   7.522
 O70      3.890   5.820   1.820
 N71      3.084   3.897   0.830
 C72      3.596   2.744   0.129
 N73      1.175   1.004   6.895
 C74      0.050   3.846   5.694
 O75      5.234  -0.003   1.608
 N76      3.631   1.530   0.935
 O77      2.948  -0.427   7.183
 C78      1.676   4.096   1.092
 C79      0.598   0.393   5.713
 N80      0.515   3.384   4.391
 C81      2.471   0.723   1.182
 N82      1.219   3.492   2.301
 N83      0.974   1.001   4.469
 C84      0.193   2.078   3.862
 C85      1.068   4.202   3.458
 N86      1.751   1.119   2.381
 C87      0.722   2.137   2.405
 C88      1.825   0.430   3.574
 O89      1.363   5.372   3.627
 O90      2.536  -0.553   3.793

*s-C59-C65

O12-C13-N14-C16
C13-N15
C16-N21
N15-C17
O18-C19-N20-C22
C19-N21
C22-N27
N21-C23
O24-C25-N26-C28
C25-N27
C28-N55
N27-C29
O30-C31-N32
C17-N32
C31-N33-C34
N14-C35
O36-C37-N38
C23-N38
C37-N39-C40
N20-C41
O42-C43-N44-C57
C29-N45
N15-C46
N26-C47
N55-C59
N32-C56
C57-N62
C46-N58
C59-N62
N55-C60
C56-N61
N62-C69
N58-C63
N58-C64
C59-C65
C60-O66
C60-N67
N61-C68
C69-O77
C63-O70
C63-N71
C64-C72
C65-N73
N67-C74
C68-O75
C68-N76
N71-C78
N73-C79
C74-N80
N76-C81
C78-N82
C79-N83
N80-C84
N80-C85
C81-N86
N82-C87
N83-C88
C85-O89
C88-O90
C17-C35
C23-C41
C29-C47
N33-C35
C34-N38
N39-C41
C40-N45
C43-N45
N44-C47
N61-C64
C65-N67
C69-N73
N71-C72-N76
N82-C85
N83-C84-C87
N86-C88
N86-C87
