
     RDKit          3D

 78 81  0  0  0  0  0  0  0  0999 V2000
    1.3258   -2.6014   -3.5027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7711   -2.2438   -2.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -3.1703   -1.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482   -2.8995   -0.4388 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9742   -3.3045   -1.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2735   -3.0273   -0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2956   -3.8055    0.7924 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0526   -3.5782    1.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2629   -3.6905    0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5550   -3.5955    1.5290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1075   -2.3631    2.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2552   -2.3962    2.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3898   -1.0331    2.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1679    0.0317    1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4019    0.8625    2.3173 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2550    1.7922    0.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2945    2.5351    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2947    3.3610    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2978    3.8941   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106    3.6500   -1.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3691    2.9154   -2.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3508    2.3553   -1.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742    4.1019   -2.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1648    2.6752   -2.9869 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    2.3308   -1.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6639    1.2578   -1.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489    0.9416   -0.1820 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560   -0.0773    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -0.5192    1.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -0.5278   -1.0845 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2061    0.5871   -1.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558    0.8052   -0.3385 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2140    1.7692   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692    2.5284   -1.4421 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    1.8793    0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3409    1.1547    1.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.4624    2.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2785    2.4311    1.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7632    3.0819    2.6370 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5939    2.9103    0.5059 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4511   -0.9721   -2.2725 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -3.1010   -0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5811   -4.2223   -1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785   -1.8147   -0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9196   -4.3889   -1.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0032   -2.7189   -2.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1425   -3.3409   -1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3637   -1.9381   -0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2609   -4.8848    0.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0563   -4.3661    2.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0884   -2.6051    2.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275   -4.7611    0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642   -3.2620    1.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1427   -4.4523    1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3916   -1.0950    1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2089   -0.7036    3.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4382    0.7928    0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6549   -0.4116    0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9561    2.5181    1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8629    1.0712    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2484    3.5302    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    4.4796    0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4102    2.7486   -3.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1304    1.7436   -1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310    4.8573   -1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868    4.5920   -3.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    1.9773   -0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413    3.2597   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4436    1.6368   -2.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.3470   -1.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425    1.3833    0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059   -1.3817   -0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    1.5379   -1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    0.2819   -2.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    0.1845    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6229    0.4122    2.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6977    0.9856    3.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5081   -0.4002   -3.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  7 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 30 41  1  0
 41  2  1  0
  9  4  1  0
 22 17  1  0
 40 35  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  1
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  7 49  1  6
  8 50  1  0
  8 51  1  0
  9 52  1  0
  9 53  1  0
 10 54  1  0
 13 55  1  0
 13 56  1  0
 14 57  1  0
 14 58  1  0
 16 59  1  0
 16 60  1  0
 18 61  1  0
 19 62  1  0
 21 63  1  0
 22 64  1  0
 23 65  1  0
 23 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  0
 26 70  1  0
 27 71  1  0
 30 72  1  1
 31 73  1  0
 31 74  1  0
 32 75  1  0
 36 76  1  0
 37 77  1  0
 41 78  1  0
M  END
$$$$
