
     RDKit          3D

 75 77  0  0  0  0  0  0  0  0999 V2000
   10.0720    0.0830   -0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6778    0.4537   -0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3313    1.7215   -1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948    1.6948   -1.7485 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4996    0.0827   -1.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2325   -0.6972   -1.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758   -1.6238   -0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670   -2.4076   -0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127   -1.5088   -0.4411 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0028   -0.9233    0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325   -1.2271    1.8764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8676    0.0829    0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2957   -0.3662    1.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0370   -1.5979    1.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5432   -2.3648    0.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -1.9958    1.9042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5783   -1.6219    1.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -2.1429   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2755   -2.3170   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3710   -2.5005   -1.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9353   -3.5183    0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8087   -0.1352    1.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3606    0.3941    2.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6829    0.6473    0.8161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9614    1.0647    1.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2780    1.1613   -0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950    1.5268   -0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4744    2.4760    0.4371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506    3.1554    0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2531    4.2069    1.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1085    4.9722    1.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    4.6924    1.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007    3.6416    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398    2.8554   -0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    1.7319   -1.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0263    1.9510   -2.2609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779    0.3967   -0.5737 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6674   -0.4576   -0.8946 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0580   -0.7797    0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5718    0.9376   -0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6455   -0.1936   -1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9969    2.5677   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3056   -1.2948   -2.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3859    0.0160   -1.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8098   -2.3534   -0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9462   -1.0285    0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925   -2.9750   -1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -3.1505    0.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0674   -1.3113   -1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955    1.0030    1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904   -0.5555    2.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101    0.4752    1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1615   -2.8171    2.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3019   -2.1350    2.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2624   -1.4761   -0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2967   -3.1346   -0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8539   -1.4089   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9420   -1.6219   -2.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4341   -2.5960   -2.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8177   -3.4098   -2.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9916   -3.3683    1.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3738   -4.4547    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9777   -3.6448   -0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5949    1.5835    0.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5183    0.1733    1.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7830    1.7534    2.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8648    2.0704   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5057    0.4088   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986    0.6055   -0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918    1.9634   -1.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1609    4.4431    2.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343    5.7863    2.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516    5.2887    1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0283    3.4287   -0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -0.3817   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
  5 38  2  0
 38  2  1  0
 37 12  1  0
 34 29  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  9 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 19 57  1  0
 20 58  1  0
 20 59  1  0
 20 60  1  0
 21 61  1  0
 21 62  1  0
 21 63  1  0
 25 64  1  0
 25 65  1  0
 25 66  1  0
 26 67  1  0
 26 68  1  0
 27 69  1  0
 27 70  1  0
 30 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 37 75  1  0
M  END
$$$$
