
     RDKit          3D

122131  0  0  0  0  0  0  0  0999 V2000
   -3.3216   -1.4481    4.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7195   -1.3923    2.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6561   -0.8057    1.9970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7602    0.2881    1.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0546    0.9363    0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9990    0.1946    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2785    0.7131   -0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2793   -0.0715   -0.9053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6133    0.5205   -1.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4719   -0.2730   -2.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4314   -1.6986   -1.7918 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5421   -2.4367   -2.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5797   -2.3664   -3.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2464   -3.6854   -3.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0752   -2.2123   -2.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0647   -1.5276   -1.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5530    2.0210    0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6382    2.7098    1.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4063    2.2246    1.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5382    3.0403    2.2419 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8096    2.5916    3.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8685    4.4132    2.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8181    5.2475    2.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726    0.4727    0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7389   -0.5553    0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340   -0.9125    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -2.1024    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584   -2.9375    1.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241   -2.5604    2.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4320   -1.3261    1.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900   -2.4436    0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779   -3.6982    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5534   -3.6864   -0.0787 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7096   -2.1003    0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5084   -1.5634    0.7723 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0127   -1.4403    0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8712   -1.1687   -0.4586 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2884   -1.1580   -0.0631 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0591   -2.3762   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5629   -3.4504   -0.4531 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4478   -2.4481    0.5835 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3105   -1.1905    0.4823 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8070   -1.3921    0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0488   -2.0987    1.8505 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -1.9643    2.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7135   -1.5767    1.8045 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4762    0.1420   -1.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3234    1.0684   -1.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    0.3341   -1.6066 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780   -0.2433   -2.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    0.4481   -3.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    1.9731   -3.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0196    2.3863   -1.8114 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2466    1.2083   -0.9473 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    3.2994   -1.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362    3.8788   -0.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7086    3.4856   -1.6480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494    2.4257   -1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408    2.5446   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128    3.8660   -0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639    2.5986    0.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629    1.3468   -0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1670   -0.4272    4.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393   -1.9389    4.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878   -2.0264    4.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9504   -2.4144    2.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6451   -0.7870    2.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7196   -0.8072   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4987    1.5324   -1.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1557    0.6075   -0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5123    0.1057   -2.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1164   -0.0869   -3.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5372   -2.3777   -1.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7057   -1.9256   -4.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5990   -2.3427   -4.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2118   -3.9970   -3.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0840   -4.4166   -3.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -2.0761   -3.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0422   -3.2993   -1.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0653   -1.7065   -1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0885   -2.0249   -0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5131    2.4882    0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4751    2.8521    1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980    1.4880    3.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7995    2.9590    4.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0253    2.9632    4.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    6.2985    2.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5584    5.0524    3.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160    5.1383    1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0656   -0.2993   -0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7730   -3.8734    2.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940   -3.2237    2.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227   -4.5365   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5629   -2.1216    1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8324   -0.4968    1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7142   -1.9708   -1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6562   -0.2944    0.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9872   -3.4235    0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9073   -0.2345    0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3184   -0.4072    0.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2162   -1.9648   -0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6963   -2.9212    3.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0852   -1.1680    3.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9556   -0.8555    2.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754   -1.3292   -2.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6060   -0.0957   -3.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806    0.2005   -4.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368    0.0787   -2.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4565    2.3269   -3.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220    2.4600   -3.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9743    2.9692   -1.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6747    1.5270   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    1.4459   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2722    2.4604   -2.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109    3.9786   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5984    3.8692   -1.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    4.7473   -0.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777    3.5708    0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305    1.8006    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3465    2.4950    1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0557    0.6679   -1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570    1.7186   -1.0917 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  2  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
 11 15  1  0
 15 16  1  0
  7 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
  4 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  2  0
 27 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 37 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 53 55  1  0
 55 56  2  0
 55 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 59 61  1  0
 59 62  1  0
 30  3  1  0
 35 31  1  0
 46 41  1  0
 54 49  1  0
 19  5  1  0
 62 24  1  0
 16  8  1  0
 30 25  1  0
 46 42  1  0
 14 12  1  0
  1 63  1  0
  1 64  1  0
  1 65  1  0
  2 66  1  0
  2 67  1  0
  6 68  1  0
  9 69  1  0
  9 70  1  0
 10 71  1  0
 10 72  1  0
 12 73  1  0
 13 74  1  0
 13 75  1  0
 14 76  1  0
 14 77  1  0
 15 78  1  0
 15 79  1  0
 16 80  1  0
 16 81  1  0
 17 82  1  0
 20 83  1  6
 21 84  1  0
 21 85  1  0
 21 86  1  0
 23 87  1  0
 23 88  1  0
 23 89  1  0
 26 90  1  0
 28 91  1  0
 29 92  1  0
 32 93  1  0
 36 94  1  0
 36 95  1  0
 37 96  1  6
 38 97  1  0
 41 98  1  1
 42 99  1  6
 43100  1  0
 43101  1  0
 45102  1  0
 45103  1  0
 46104  1  1
 50105  1  0
 50106  1  0
 51107  1  0
 51108  1  0
 52109  1  0
 52110  1  0
 53111  1  6
 54112  1  0
 58113  1  0
 58114  1  0
 60115  1  0
 60116  1  0
 60117  1  0
 61118  1  0
 61119  1  0
 61120  1  0
 62121  1  0
 62122  1  0
M  END
$$$$
