
     RDKit          3D

 90 93  0  0  0  0  0  0  0  0999 V2000
   -7.8197    1.1454    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7857    0.0189    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4069   -0.3584   -0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4291   -1.5418   -0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0811   -1.1364   -0.2627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517   -1.6267    1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261   -3.0172    0.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358   -2.9005    0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435   -3.9783    0.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278   -4.7983    1.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283   -5.8973    1.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -6.1852    0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1003   -5.3700   -0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2521   -4.2515   -0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2432   -3.4528   -1.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848   -4.0551   -2.7818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661   -2.0210   -1.6787 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8576   -1.1843   -0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260   -0.7846   -1.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5395   -1.0593   -2.3981 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584   -0.0497   -0.3874 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8838    1.0862   -0.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3482    1.0568   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4626    0.9703    1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8240    0.8278    1.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954    2.0792    1.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9141    1.9279    1.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375    1.6844    0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6984   -0.2583    1.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2361   -0.2416    1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076    0.0477   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086    0.9222   -1.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6524    1.5257   -2.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313    1.0882   -2.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153    0.8348   -1.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0507    1.6640   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9706    3.1369   -0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0883    3.8115   -0.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9905    5.1592   -1.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7780    5.8391   -1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6620    5.1740   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7558    3.8280   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1664   -0.6457   -1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6926   -1.4586   -2.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4054    2.0601    0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0852    1.3760    1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7435    0.8420    0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8780    0.3601    1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1980   -0.8723    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9615    0.5248   -1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3237   -0.6452   -1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3918   -1.9377   -1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8082   -2.3716   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3774   -1.6813    1.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079   -0.9122    1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4365   -3.5906    0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0838   -3.5779    1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2663   -4.5828    2.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324   -6.5272    2.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -7.0347    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811   -5.6110   -1.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0965   -1.5697   -2.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893   -1.7631    0.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    2.0376   -0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462    1.0639   -2.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8585    0.1858   -0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8544    1.9775   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    1.8758    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0110    2.4160    2.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1599    2.8596    0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3497    2.8584    2.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1708    1.0839    2.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    1.5102    0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0868    0.7965   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3849    2.5753   -0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7386   -0.2711    2.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1786   -1.1912    1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.2076    1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.5794    1.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351   -0.3239    0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038    0.6687    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6808    1.5631   -3.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7160    1.1865   -2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736    1.3921    0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0278    1.4539    0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0280    3.2879   -1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8506    5.6780   -1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986    6.8791   -1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7196    5.7015   -0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790    3.3220    0.0957 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  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 24 29  1  0
 29 30  1  0
 18 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 35 43  1  0
 43 44  2  0
 43  5  1  0
 14  9  1  0
 30 21  1  0
 42 37  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  2 48  1  0
  2 49  1  0
  3 50  1  0
  3 51  1  0
  4 52  1  0
  4 53  1  0
  6 54  1  0
  6 55  1  0
  7 56  1  0
  7 57  1  0
 10 58  1  0
 11 59  1  0
 12 60  1  0
 13 61  1  0
 17 62  1  0
 18 63  1  0
 22 64  1  0
 22 65  1  0
 23 66  1  0
 23 67  1  0
 24 68  1  0
 26 69  1  0
 26 70  1  0
 27 71  1  0
 27 72  1  0
 28 73  1  0
 28 74  1  0
 28 75  1  0
 29 76  1  0
 29 77  1  0
 30 78  1  0
 30 79  1  0
 31 80  1  0
 31 81  1  0
 34 82  1  0
 35 83  1  0
 36 84  1  0
 36 85  1  0
 38 86  1  0
 39 87  1  0
 40 88  1  0
 41 89  1  0
 42 90  1  0
M  END
$$$$
