
     RDKit          3D

 77 81  0  0  0  0  0  0  0  0999 V2000
    3.5515   -2.5519    2.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189   -2.2927    3.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4856   -1.1317    2.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6585   -0.9809    3.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4296    0.1708    3.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    1.1553    2.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8472    0.9789    1.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3926    2.0128    0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9698    3.1342    0.8875 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.7905    0.0228 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734    2.9188   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0557    2.4436   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6749    1.0585   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2707    0.6666   -0.6634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0171    0.3799   -2.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071   -1.1668   -2.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -1.9754   -2.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798   -1.8070   -1.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673   -0.5453   -2.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -1.9558   -0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5624   -2.9068   -1.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7860   -2.4321   -1.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0766   -1.9491    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1041   -2.6492    0.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6876   -2.1682    2.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2696   -0.9629    2.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2267   -0.2526    2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5845   -0.7300    0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4108   -0.0446    0.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.2937    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4516    2.0000   -0.1925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4319    3.2252   -0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2236    3.7869   -1.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0317    3.1074   -0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0422    1.8625   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212    1.3326    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    0.0002   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    0.5674   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1101   -0.1528    2.0481 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8162   -2.5906    1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1337   -3.5348    2.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921   -1.7592    2.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9727   -1.7502    4.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366    0.2990    4.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375    2.0447    2.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344    3.4488    0.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8830    3.6366   -0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610    3.1893   -0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896    2.3962   -2.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649    1.1226    0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8555    0.9518   -2.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856    0.8250   -2.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6607   -1.2999   -3.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464   -1.6929   -1.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6296   -1.7321   -3.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -3.0534   -2.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379   -0.3366   -1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7298    0.3887   -2.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5582   -0.7066   -3.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424   -1.0953   -0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4976   -2.2345    0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047   -2.8104   -0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8106   -3.1889   -2.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -3.8448   -1.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4931   -3.5578    0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4909   -2.7199    2.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7410   -0.5855    3.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788    0.6549    2.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3615    3.7504   -0.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2081    4.7576   -1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938    3.5789   -1.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204    0.6605    1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2495    2.2055    0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5222   -0.3999   -1.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749   -0.8539   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4361    0.8203   -1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8849   -0.2132   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 13 37  1  0
 37 38  1  0
  7 39  2  0
 39  3  1  0
 38 10  1  0
 36 14  1  0
 28 23  1  0
 35 30  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 16 54  1  0
 17 55  1  0
 17 56  1  0
 19 57  1  0
 19 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 24 65  1  0
 25 66  1  0
 26 67  1  0
 27 68  1  0
 32 69  1  0
 33 70  1  0
 34 71  1  0
 36 72  1  0
 36 73  1  0
 37 74  1  0
 37 75  1  0
 38 76  1  0
 38 77  1  0
M  END
$$$$
