
     RDKit          3D

 88 91  0  0  0  0  0  0  0  0999 V2000
   -8.6710    2.4018    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1663    2.2500   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4118    2.0563    1.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9018    1.9689    1.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5037    0.8681    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3254   -0.4504    0.7265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4281   -1.4311    0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4972   -2.3278   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3382   -2.8926   -0.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4344   -3.7405   -2.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6917   -4.0335   -2.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8090   -3.5049   -2.0142 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7415   -2.6766   -0.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0762   -0.7555    1.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -1.7004    2.2482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8076    0.0238    1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5693   -0.5848    1.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6664    0.2159    1.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1874    1.1182    2.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    1.8887    2.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383    1.7628    0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558    0.8022   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2825    0.0863    0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0915    0.5235   -1.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1665   -0.5131   -1.3829 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408   -1.8423   -0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0045   -2.0332    0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0909   -3.0987   -1.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9277   -0.5544   -2.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9098    0.5809   -2.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7099    1.4735   -3.6457 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0804    0.6649   -1.9439 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526   -0.2681   -0.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1525    0.3792    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6102    1.7286    0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    1.7382    1.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2655    2.4643    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9376    2.7108    0.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3962    0.8528   -1.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8990    1.0708   -0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8614    3.2839    0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2070    2.5557   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0801    1.4955    0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8076    3.1871   -0.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7694    1.1482    1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6105    2.9238    1.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3876    1.8025    2.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5530    2.9525    0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5183    1.1789   -0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3863   -0.9136    1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3179   -2.0774    1.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3615   -2.6778   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428   -4.1689   -2.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7811   -4.6895   -3.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6590   -2.2916   -0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9401    1.0671    1.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6305    0.0372    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4263   -1.6318    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -0.6206    2.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127    1.2493    3.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6608    2.6179    2.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325   -0.5803   -0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063    0.1969   -2.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620    1.4767   -1.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5376   -1.8755   -0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433   -2.8929    0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526   -1.1370    1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0899   -2.2315    0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161   -3.0179   -2.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822   -3.2784   -1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -3.9933   -1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5684   -1.4500   -2.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326   -0.5634   -3.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7943    1.3955   -2.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9197   -1.1366   -1.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4161   -0.6576   -0.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1919   -0.3375    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1978    0.5324   -0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8352    2.5158    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2059    1.9969    1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7263    0.7091    1.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0029    2.2853    2.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2589    1.9091   -0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7232    3.4517   -0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0569    1.6798   -1.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2356   -0.0794   -1.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3784    0.1507   -0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3795    1.2803   -1.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 25 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
  5 39  1  0
 39 40  1  0
 40  2  1  0
 13  8  1  0
 23 18  1  0
 38 21  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  3 45  1  0
  3 46  1  0
  4 47  1  0
  4 48  1  0
  5 49  1  0
  7 50  1  0
  7 51  1  0
  9 52  1  0
 10 53  1  0
 11 54  1  0
 13 55  1  0
 16 56  1  0
 16 57  1  0
 17 58  1  0
 17 59  1  0
 19 60  1  0
 20 61  1  0
 23 62  1  0
 24 63  1  0
 24 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 27 68  1  0
 28 69  1  0
 28 70  1  0
 28 71  1  0
 29 72  1  0
 29 73  1  0
 32 74  1  0
 33 75  1  0
 33 76  1  0
 34 77  1  0
 34 78  1  0
 35 79  1  0
 35 80  1  0
 36 81  1  0
 36 82  1  0
 37 83  1  0
 37 84  1  0
 39 85  1  0
 39 86  1  0
 40 87  1  0
 40 88  1  0
M  END
$$$$
