Molecule Editor

Molecule ID: FYI-1012225 Edit

Molecule Structure InChIKey: BJNQXJIQCPPOHN-HGFJGSETSA-N

Molecule Structure SMILES String: CC1CCC%10(OC1)OC9CC8C7CCC6CC(OC5OC(CO)C(OC3OC(CO)C(O)C(OC2OCC(O)C(O)[C@H]2O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)C5O)CCC6(C)C7CCC8(C)C9C%10C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012225
FYIcenter.com

 72 81  0  0  0  0  0  0  0  0999 V2000
   28.8207    0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6837    1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3997    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2626    1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4095    3.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0728    2.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2466    3.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0728    4.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4095    4.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2466    6.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9099    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9099    4.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6927    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4755    4.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4755    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6927    6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6927    7.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4755    8.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2582    7.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2582    6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0411    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8238    6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8238    7.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0411    8.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6067    8.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3894    7.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1721    8.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9550    7.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9550    6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1721    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3894    6.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1721    4.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3894    3.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7377    5.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206    6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3033    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    7.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3033    8.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206    7.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3033    9.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206   10.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    8.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    5.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    7.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    8.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    7.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    4.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3033    4.2166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    4.2166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5121    4.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    3.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    1.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3033    1.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7377    8.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1721    9.8386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2582    4.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0568    2.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6384    1.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6935    3.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8306    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 29  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 35  1  0  0  0  0
 41 39  1  0  0  0  0
 42 41  1  0  0  0  0
 43 38  1  0  0  0  0
 44 37  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 50 45  1  0  0  0  0
 51 48  1  0  0  0  0
 52 47  1  0  0  0  0
 46 53  1  6  0  0  0
 36 54  1  6  0  0  0
 55 54  1  1  0  0  0
 56 55  1  0  0  0  0
 57 56  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 60 55  1  0  0  0  0
 59 61  1  1  0  0  0
 62 61  1  0  0  0  0
 58 63  1  6  0  0  0
 57 64  1  1  0  0  0
 56 65  1  6  0  0  0
 66 28  1  0  0  0  0
 67 27  1  0  0  0  0
 68 20  1  0  0  0  0
 69 12  1  0  0  0  0
 70  6  1  0  0  0  0
 71  5  1  0  0  0  0
 72 71  1  0  0  0  0
 72  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012225-3D
FYIcenter.com

154163  0  0  1  0  0  0  0  0999 V2000
   16.1235   -2.2467   -5.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3672   -3.7374   -5.6117 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.9100   -4.3846   -6.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8251   -4.6685   -7.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6822   -5.4746   -7.3184 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.2022   -4.6145   -6.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0755   -4.4043   -5.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5531   -5.7467   -8.2338 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2345   -7.1521   -8.1960 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7968   -7.6837   -8.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4393   -7.9451   -6.6460 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2349   -9.3902   -6.1600 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2980  -10.1637   -7.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4099  -11.0935   -6.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6121  -10.2194   -5.3450 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3363  -10.9543   -4.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7355  -10.0664   -3.8665 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3672   -9.7219   -3.9966 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230   -8.8789   -5.2172 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7699   -9.1786   -6.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4079   -8.1776   -7.2744 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1750   -8.6244   -8.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7912   -8.7975   -9.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694   -6.6433   -6.8647 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9395   -5.6523   -7.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4389   -4.2750   -7.8986 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9439   -4.1474   -9.2706 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4401   -2.8299   -9.5936 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7695   -2.6670  -11.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8901   -1.8159  -11.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828   -2.5532   -8.7841 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7809   -1.1432   -8.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8131   -3.2832   -7.4545 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7561   -2.5167   -6.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632   -2.7729   -6.8667 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0284   -2.1293   -5.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5159   -0.8100   -6.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7574   -0.3941   -7.6637 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.1096   -0.6520   -8.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060   -1.1166   -8.6059 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2008   -0.9412   -9.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7616   -2.5991   -8.2733 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0945   -3.1052   -8.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3735   -3.4560   -6.8587 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7408   -2.1370   -6.6355 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1767   -1.4729   -5.4354 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8766   -2.2429   -4.2719 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5458   -2.1557   -3.7459 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4869   -2.9508   -4.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2327   -2.9165   -3.8484 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379   -0.6937   -3.5128 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0348   -0.0991   -2.5504 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2357    0.1001   -4.8251 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2608   -0.3470   -5.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6707    0.0028   -5.3703 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5576    0.7803   -4.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1433   -6.6281   -5.3949 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2543   -5.3604   -4.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204   -7.3336   -5.0873 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3010   -6.9238   -3.8249 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5345  -10.4961   -2.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0541  -10.0570   -2.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4029   -9.4503   -4.1891 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0023   -7.9280   -4.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9226   -9.4699   -4.5892 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7736   -8.4549   -3.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0102   -8.0430   -4.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6261   -7.3446   -5.8545 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1112   -5.9409   -5.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7771   -7.6083   -6.8746 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0897   -6.8724   -6.8199 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.0681   -7.5922   -7.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0483   -1.7232   -6.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7225   -1.7927   -4.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4045   -2.0678   -6.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1068   -3.8417   -4.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3857   -5.3279   -6.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6988   -3.7656   -7.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2439   -5.1720   -8.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4563   -3.7086   -8.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2666   -5.3415   -4.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   -3.7773   -4.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7187   -7.5880   -9.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7788   -8.6413   -8.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0857   -7.0136   -8.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -7.4149   -6.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1979   -9.9050   -6.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8813  -10.7326   -7.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6715   -9.4813   -7.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9912  -11.8633   -5.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7498  -11.6105   -7.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2454   -9.4139   -5.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5782  -11.9620   -4.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6643  -11.1584   -5.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774   -9.0946   -4.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0195   -9.2723   -5.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4583   -8.4494   -7.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6328   -9.6159   -8.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6360   -7.9567   -9.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5348   -9.6502   -8.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6413   -6.4075   -6.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4898   -3.7214   -7.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6731   -2.0780   -9.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9354   -2.1529  -11.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9314   -3.6076  -11.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7461   -2.1905  -11.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5146   -2.8995   -9.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3099   -0.9030   -7.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2101   -4.2997   -7.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2471   -3.8110   -6.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4738   -0.7407   -5.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8364   -0.1028   -5.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6390    0.6881   -7.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6926   -0.0651   -7.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8390   -0.6475   -8.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1235   -1.2701   -9.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2463   -3.1885   -9.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4699   -3.1403   -7.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4466   -3.9510   -5.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2620   -1.3845   -5.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6217   -2.6268   -2.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707   -2.6720   -5.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7492   -3.9912   -4.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -2.2690   -4.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1232   -0.6401   -3.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2801   -0.7895   -1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054    1.1500   -4.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198   -0.6803   -6.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7097    0.4525   -6.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3669    0.5299   -3.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8739   -7.2251   -4.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1004   -5.3289   -4.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931   -7.0298   -5.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3691   -5.9434   -3.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583  -11.5947   -2.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1157  -10.1271   -1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374  -10.8784   -2.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2449   -9.2968   -1.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0104   -7.7369   -3.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1451   -7.3426   -4.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5244   -7.4472   -3.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2931  -10.4619   -4.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0109   -8.8632   -2.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2707   -7.5127   -3.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6321   -8.9279   -4.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6084   -7.3618   -3.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0958   -5.9393   -5.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0420   -5.3776   -6.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7044   -5.4198   -4.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9562   -8.6905   -6.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5130   -6.9161   -5.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8017   -7.4608   -8.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0897   -8.6691   -7.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0862   -7.2202   -7.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 73  1  0  0  0  0
  1 74  1  0  0  0  0
  1 75  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 76  1  0  0  0  0
  3  4  1  0  0  0  0
  3 77  1  0  0  0  0
  3 78  1  0  0  0  0
  4  5  1  0  0  0  0
  4 79  1  0  0  0  0
  4 80  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 71  1  0  0  0  0
  6  7  1  0  0  0  0
  7 81  1  0  0  0  0
  7 82  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 70  1  0  0  0  0
  9 83  1  0  0  0  0
 10 11  1  0  0  0  0
 10 84  1  0  0  0  0
 10 85  1  0  0  0  0
 11 12  1  0  0  0  0
 11 68  1  0  0  0  0
 11 86  1  0  0  0  0
 12 13  1  0  0  0  0
 12 65  1  0  0  0  0
 12 87  1  0  0  0  0
 13 14  1  0  0  0  0
 13 88  1  0  0  0  0
 13 89  1  0  0  0  0
 14 15  1  0  0  0  0
 14 90  1  0  0  0  0
 14 91  1  0  0  0  0
 15 16  1  0  0  0  0
 15 63  1  0  0  0  0
 15 92  1  0  0  0  0
 16 17  1  0  0  0  0
 16 93  1  0  0  0  0
 16 94  1  0  0  0  0
 17 18  1  0  0  0  0
 17 61  1  0  0  0  0
 17 95  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 19 96  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 97  1  0  0  0  0
 22 23  1  0  0  0  0
 22 98  1  0  0  0  0
 22 99  1  0  0  0  0
 23100  1  0  0  0  0
 24 25  1  0  0  0  0
 24 57  1  0  0  0  0
 24101  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 26102  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28103  1  0  0  0  0
 29 30  1  0  0  0  0
 29104  1  0  0  0  0
 29105  1  0  0  0  0
 30106  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31107  1  0  0  0  0
 32108  1  0  0  0  0
 33 34  1  0  0  0  0
 33 44  1  0  0  0  0
 33109  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 42  1  0  0  0  0
 35110  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37111  1  0  0  0  0
 37112  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38113  1  0  0  0  0
 39114  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40115  1  0  0  0  0
 41116  1  0  0  0  0
 42 43  1  0  0  0  0
 42117  1  6  0  0  0
 43118  1  0  0  0  0
 44 45  1  0  0  0  0
 44119  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 55  1  0  0  0  0
 46120  1  6  0  0  0
 47 48  1  0  0  0  0
 48 51  1  0  0  0  0
 48 49  1  0  0  0  0
 48121  1  1  0  0  0
 49 50  1  0  0  0  0
 49122  1  0  0  0  0
 49123  1  0  0  0  0
 50124  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 51125  1  1  0  0  0
 52126  1  0  0  0  0
 53 55  1  0  0  0  0
 53 54  1  0  0  0  0
 53127  1  1  0  0  0
 54128  1  0  0  0  0
 55 56  1  0  0  0  0
 55129  1  6  0  0  0
 56130  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
 57131  1  0  0  0  0
 58132  1  0  0  0  0
 59 60  1  0  0  0  0
 59133  1  0  0  0  0
 60134  1  0  0  0  0
 61 62  1  0  0  0  0
 61135  1  0  0  0  0
 61136  1  0  0  0  0
 62 63  1  0  0  0  0
 62137  1  0  0  0  0
 62138  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 64139  1  0  0  0  0
 64140  1  0  0  0  0
 64141  1  0  0  0  0
 65 66  1  0  0  0  0
 65142  1  0  0  0  0
 66 67  1  0  0  0  0
 66143  1  0  0  0  0
 66144  1  0  0  0  0
 67 68  1  0  0  0  0
 67145  1  0  0  0  0
 67146  1  0  0  0  0
 68 69  1  0  0  0  0
 68 70  1  0  0  0  0
 69147  1  0  0  0  0
 69148  1  0  0  0  0
 69149  1  0  0  0  0
 70 71  1  0  0  0  0
 70150  1  0  0  0  0
 71 72  1  0  0  0  0
 71151  1  0  0  0  0
 72152  1  0  0  0  0
 72153  1  0  0  0  0
 72154  1  0  0  0  0
M  END
$$$$