
     RDKit          3D

 75 79  0  0  0  0  0  0  0  0999 V2000
    6.0735   -0.8638    0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2567   -0.7421   -0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812   -0.9562   -1.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0717   -1.7480   -0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7420   -1.1420   -0.1752 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7975   -0.8820    1.2681 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9509    0.4032    1.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    0.4460    3.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636    1.6734    1.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7333    2.9126    1.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    4.0967    0.9936 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3160    2.9938   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6606    1.7295    0.2245 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650    3.3156   -1.2176 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9469    4.3384   -2.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2106    5.6508   -1.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    5.2631   -1.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489    3.9282   -0.7018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7331    3.2818    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3636    3.1115    1.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657    2.7571   -0.2566 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1105    2.7367    0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9427    1.4172   -0.8454 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541    0.3341   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0937    0.5032    0.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9268   -1.0071   -0.0713 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6060   -1.6814    1.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4205   -2.9290    1.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8126   -2.8419    1.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5666   -3.9938    1.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9362   -5.2397    2.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5524   -5.3316    1.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7925   -4.1837    1.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321   -1.8437   -1.2476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7299   -2.9629   -1.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1574   -4.0807   -1.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165   -2.8411   -0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286   -3.8940   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054   -3.3937   -0.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6049   -2.0856   -0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3596   -1.6812   -0.7779 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8853   -0.1065    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4389   -0.6862    1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251   -1.8735    0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8685    0.2980   -0.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830   -1.9916   -1.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0331   -0.2418   -1.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6245   -0.7838   -2.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216   -2.6610   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9017   -2.0853   -1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.2234   -0.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260   -1.7168    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3231    3.0846    2.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041    2.3820   -1.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338    4.0150   -3.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0457    4.4636   -2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0075    6.2065   -2.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    6.2853   -1.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3077    5.9658   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259    5.2418   -1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4408    3.4482   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8284    2.0066    1.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2103    3.7455    1.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1004    2.4440    0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    1.1534   -1.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0193   -0.8040   -0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8330   -0.9630    2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.9028    1.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3121   -1.8823    1.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6375   -3.9213    2.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5206   -6.1293    2.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0650   -6.2964    1.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -4.2766    1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3410   -1.8142   -2.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840   -4.9485   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 26 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40  5  1  0
 13  9  1  0
 18 14  1  0
 33 28  1  0
 41 37  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  6
  6 52  1  0
 10 53  1  0
 14 54  1  6
 15 55  1  0
 15 56  1  0
 16 57  1  0
 16 58  1  0
 17 59  1  0
 17 60  1  0
 21 61  1  6
 22 62  1  0
 22 63  1  0
 22 64  1  0
 23 65  1  0
 26 66  1  1
 27 67  1  0
 27 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 38 75  1  0
M  END
$$$$
