YMQ0168
     RDKit          3D

109113  0  0  1  0  0  0  0  0999 V2000
   12.8633   -1.3336   -2.6904 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.8301   -0.7460   -4.5666 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.5542    1.7985   -4.7495 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.6976    1.0332    2.3424 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.6247    2.2539    0.3254 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7939    0.6034   -3.7635 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.7776    1.0049    1.0568 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.1034   -2.5534    2.3848 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.5862    3.5881   -0.5094 C   0  0  0  0  0  1  0  0  0  0  0  0
   11.4369   -1.3908   -2.0562 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.2124   -0.9919   -1.2469 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6539   -4.8397   -2.7148 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.8288   -1.0698    1.8582 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.3917    3.1622    0.4030 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5745   -2.8016   -1.0569 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6026   -0.6831   -1.7308 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7899    1.1646   -1.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623    0.8191   -2.3436 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7526   -1.0949    0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0183   -0.2577    0.7749 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.9431   -1.8276    0.2978 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2277   -0.8801   -0.1754 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.4170    4.5007    1.0479 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3011   -6.2270   -3.0969 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6455   -3.5788   -0.6324 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7559   -1.4464   -1.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4733    0.6311   -1.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1922   -1.4692   -1.2195 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.6766   -1.5891    0.8786 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.2395   -2.2059   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5414   -0.7526    1.2455 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.9522   -0.0639    2.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5967    2.1601    1.4633 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.2862    4.3275    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3321    5.5127    0.7928 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6242   -4.7635   -1.2413 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0635   -0.9520   -1.3110 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2955   -2.8693   -1.5415 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.2826    2.5928    2.9288 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.1703    5.2284   -0.8631 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3446   -7.0518   -2.2576 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9559   -3.1188   -0.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1672    6.3705   -0.2777 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1732   -1.7401   -0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399   -3.4646   -2.9768 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.3521   -6.2166   -1.4739 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.6410   -3.9304   -0.4568 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.0972    6.2362   -1.1667 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6264   -0.5981    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8987   -0.9349    0.9795 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2109   -1.0749    1.8216 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.2553   -0.7749   -1.6963 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.2764   -0.6230   -0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0461    0.0167    3.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1167   -0.1117   -1.1923 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.9039    1.2425    3.3863 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.0605    1.3778    2.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2620    3.8713    2.2359 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.1762    6.5191    1.0792 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.3828    6.6311    0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8933    5.9566    2.9120 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.4864    0.5840    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3689    2.4778    2.8838 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.2553    0.2052    1.7505 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.4753    5.3079    1.6793 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.2117    6.1112    1.5335 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.4201   -0.5680    2.1162 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.9828   -4.1215   -3.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4634    2.8727   -0.4324 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.0596    1.7957   -0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5983   -1.3439    0.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340   -0.5923   -2.2547 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.9653    0.8862    1.0915 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1260   -6.3317   -4.3844 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.9815   -1.2182   -0.7926 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629    1.5947   -1.6414 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071   -0.2511    0.9372 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9041   -4.2907   -1.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863   -0.1224   -2.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4282   -0.4583    2.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076    2.7815   -0.8579 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.1992    1.3584   -1.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1503    0.5678    2.1277 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.0734   -2.5045    1.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6140   -3.3745    0.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7548   -0.2075    2.9939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8460   -8.1075   -1.6969 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9208   -4.0390   -0.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3886   -1.1578   -0.8670 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1827   -6.7176   -1.2429 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9183    0.2935    0.9118 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4762   -0.4000   -0.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2865   -0.9568    2.8600 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2425    0.0761    4.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7035    6.3602   -0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7822    2.3957    2.5704 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5975    6.7914    4.0086 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.6074   -0.0547    0.5418 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2136    1.1445    3.7138 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.3678    7.4389    0.8715 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.4856    5.8762    4.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0459    1.6880    0.3062 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6774   -1.1367    2.5850 N   0  0  0  0  0  1  0  0  0  0  0  0
  -10.0849   -4.6684   -2.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9556   -3.0842   -3.8239 O   0  0  0  0  0  1  0  0  0  0  0  0
   11.6421   -0.2929    3.4361 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.9778   -3.4602    2.3340 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.5485   -1.0985   -3.3300 S   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2640   -0.6238   -3.6221 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 10  1  0
  1 11  1  0
  2  6  1  0
  3  6  1  0
  5  7  1  0
  5  9  1  0
  7  4  1  0
  7 20  1  0
 10 75  1  0
 12 24  1  0
 12 68  1  0
 12 78  1  0
 13  8  1  0
 13 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 14 69  1  0
 15 25  2  0
 15 26  1  0
 16 26  1  0
 16 79  1  0
 17 70  2  0
 17 76  1  0
 17 79  1  0
 18  6  1  0
 18 27  1  0
 18 76  1  0
 19 71  2  0
 19 77  1  0
 20 29  1  0
 20 77  1  0
 21 30  1  0
 22 11  1  0
 22 31  1  0
 22 75  1  0
 23 34  2  0
 23 35  1  0
 24 41  1  0
 24 74  1  0
 25 42  1  0
 26 37  2  0
 27 72  1  0
 27 82  2  0
 28 19  1  0
 28 38  1  0
 28 72  1  0
 29 21  1  0
 29 84  1  0
 30 75  1  0
 30 85  2  0
 31 80  1  0
 32 73  1  0
 32 86  2  0
 33 39  1  0
 33 73  1  0
 34 40  1  0
 35 43  2  0
 36 46  1  0
 36 78  1  0
 36 88  1  0
 37 44  1  0
 38 45  1  0
 38 47  1  0
 40 48  2  0
 41 46  1  0
 41 87  1  0
 42 44  2  0
 42 88  1  0
 43 48  1  0
 44 89  1  0
 46 90  1  0
 49 50  1  0
 49 89  1  0
 49 91  2  0
 50 51  1  0
 51 93  1  0
 52 53  1  0
 52 55  1  0
 52108  1  0
 53 92  2  0
 53 98  1  0
 54 56  1  0
 54 93  1  0
 54 94  2  0
 55 62  1  0
 56 63  1  0
 56 99  1  0
 57 64  1  0
 57 96  2  0
 57 99  1  0
 58 63  1  0
 58 65  1  0
 59 65  1  0
 59100  1  0
 60 66  1  0
 60 95  2  0
 60100  1  0
 61 66  1  0
 61101  1  0
 62 98  1  0
 62102  2  0
 64 67  1  0
 64 98  1  0
 67103  1  0
 68104  2  0
 68105  1  0
 76 81  1  0
 77 83  1  0
 80106  1  0
 84107  1  0
 97101  1  0
109108  1  0
M  RAD  8   1   3   2   2   3   2   4   2   5   3   6   2   7   2   8   2
M  RAD  8   9   2  10   3  11   3  12   2  13   2  14   2  15   2  16   3
M  RAD  8  18   2  20   2  21   3  22   2  23   2  24   2  25   2  28   2
M  RAD  8  29   2  31   2  33   2  35   2  36   2  37   2  38   2  39   2
M  RAD  8  40   2  41   2  43   2  45   2  46   2  47   2  48   2  50   3
M  RAD  8  51   3  52   2  55   3  56   2  58   3  59   3  61   3  63   3
M  RAD  8  64   2  65   3  66   3  67   3  69   2  72   2  73   2  74   2
M  RAD  8  81   2  83   2  87   2  89   2  90   2  93   2  97   2  99   2
M  RAD  6 100   2 103   3 105   2 106   2 107   2 109   2
M  END
$$$$
