
     RDKit          3D

 72 75  0  0  0  0  0  0  0  0999 V2000
   -0.5054    2.8800    2.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6855    3.4842    1.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9382    4.7172    0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369    2.6861   -0.1189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660    3.1878   -1.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5784    3.5472   -1.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285    2.5410   -2.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6643    1.9953   -1.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292    0.6625   -0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4336    0.8542    0.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7121   -0.4283    1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7011   -1.0147    0.3311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324   -2.4612    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384   -2.8041   -0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2403   -4.3274   -0.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2354   -5.0788   -0.3240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2153   -4.7547    1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6536   -3.3388    1.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196   -0.1941   -0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2465    0.3161   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006   -0.6136   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079   -0.2042    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977   -1.2028    0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4210   -2.4262    0.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0745   -0.7995    0.0738 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -1.0217    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1782   -0.1945    1.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8640   -0.4052   -0.0228 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1111   -0.3712   -1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027   -0.4262   -2.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6169   -0.2435   -1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573    1.1561    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219    2.0856    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    1.6868   -0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    3.2504    3.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5818    1.7740    2.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880    3.1604    2.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    4.1019   -1.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8668    2.4621   -2.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7047    4.5302   -1.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070    3.7336   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0159    3.0833   -2.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    1.7104   -2.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9904    2.7546   -0.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5484    1.8050   -1.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2794    0.1905   -0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8866   -0.0366   -1.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0768    1.2033    1.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6943    1.6521    0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4910   -1.1670    1.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1865   -0.1891    2.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0024   -2.7607   -0.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0248   -2.4943   -0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1737   -2.2565   -1.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1359   -4.5062   -2.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2509   -4.7025   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2335   -4.8446    1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5707   -5.4893    1.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681   -3.4009    1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1545   -2.8995    2.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0234   -0.7815   -1.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585    0.6335   -1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -1.6630   -0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1448   -2.1018    1.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3110   -0.7329    2.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9259    0.8838    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405   -0.4789    2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8925   -0.5855   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1803   -0.7852   -2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3451    0.8295   -1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462    1.4999    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391    3.1283    0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  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  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
 12 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 22 32  2  0
 32 33  1  0
 33 34  2  0
 34  4  1  0
 18 13  1  0
 34 20  1  0
 31 25  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  5 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
  7 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  0
 10 49  1  0
 11 50  1  0
 11 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 19 61  1  0
 19 62  1  0
 21 63  1  0
 26 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 28 68  1  0
 31 69  1  0
 31 70  1  0
 32 71  1  0
 33 72  1  0
M  END
$$$$
