YMQ0096
     RDKit          3D

 90100  0  0  1  0  0  0  0  0999 V2000
   16.1611   -2.8615    2.0483 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.0575   -2.0767    1.7480 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.4005   -2.5505    1.4771 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.1891   -0.9780    0.8985 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.5422   -1.4664    0.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4222   -0.6744    0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8128   -1.2958   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5458    0.4575   -0.5215 C   0  0  0  0  0  2  0  0  0  0  0  0
   19.4383   -0.1294   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8034   -5.9692   -0.8690 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.5332   -4.4403   -2.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2582   -3.3367   -2.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1568   -1.9918   -1.5349 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9408   -0.4895   -1.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7023    0.5436   -1.7152 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.0731   -1.2156   -2.1155 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2417   -2.4712   -0.8911 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3594   -1.0783    2.5785 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1332    0.0744    2.2452 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.7660    1.1997    1.3010 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.6898    2.5940   -0.9343 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.7765   -6.1210    0.1159 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5004   -4.6808   -1.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6737   -3.2094   -2.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6205   -2.1253   -1.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1501   -1.0613   -0.8700 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6929    1.6053   -1.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430    1.5612    1.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8809    2.4291   -1.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2218    1.3309   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560    0.0957   -2.3426 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0820   -2.7438    0.3974 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4566   -2.1737    1.9853 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.2564    0.3361    1.2141 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.3269    0.8353    0.8245 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.5504    2.7138    0.1137 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.1396    2.0932   -0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4639   -5.0109    0.6084 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.1910   -3.5619   -0.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4027   -2.0405   -1.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3735   -0.9126   -1.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1286    0.0489   -0.6686 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.2877    2.0469    0.1597 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.2727    3.4924   -1.0089 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.8695   -2.2817   -1.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1891   -3.7049    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8133   -0.8427   -1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5265    0.2815   -0.9183 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.3710    3.4431    0.1509 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.3786    4.1539   -0.5022 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.8724   -2.7967    1.5059 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.7756    2.6510   -0.6770 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.5817    2.6044    0.7386 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.9354    4.7469   -0.2335 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.0287    3.4271    1.7713 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.8783    1.7272    3.3804 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.8122    4.4990    1.1868 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.6358    6.0278   -0.8079 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.2182    1.4524    3.9839 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.7947    3.8831    3.0859 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.0818    3.4735    3.7001 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.1103    4.3363    4.4797 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.6731   -4.4648   -2.4132 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.1716   -0.1064   -2.9962 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5956   -5.1686   -3.3493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864    1.3283   -2.6569 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.4461    2.7746    1.0927 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.7147   -3.1527    1.4992 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600    0.5433    0.2699 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8493    1.5439   -1.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7219   -0.4818   -1.2361 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.8912   -1.5616    0.3376 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.5406   -2.3998   -2.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1616   -0.1632    3.1101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9364    2.7303   -1.4819 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8779    0.7524    2.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0236    3.1170   -2.7836 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8439   -2.5763    0.5537 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8231   -1.5687   -1.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4964    0.1334   -0.7630 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.9128    1.5113   -1.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4065    3.8363   -1.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4944    3.1025    3.1218 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8947    4.7561    2.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2718    2.2012    4.3057 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1323    4.3493    3.4625 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594   -0.6428   -1.1873 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6866   -1.9668   -1.0244 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6101   -2.3939   -0.3848 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5156    0.0944   -2.0274 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  2  0
  5  6  1  0
  5  7  1  0
  6  8  1  0
  7  9  2  0
  8 70  1  0
  9 30  1  0
  9 87  1  0
 10 22  2  0
 10 23  1  0
 11 23  1  0
 11 24  1  0
 11 65  2  0
 12 24  2  0
 12 25  1  0
 12 63  1  0
 13 25  1  0
 13 26  1  0
 14 26  1  0
 14 64  2  0
 14 71  1  0
 15 27  1  0
 15 71  1  0
 16 31  1  0
 16 73  1  0
 17 32  1  0
 17 73  1  0
 18 33  1  0
 18 74  1  0
 19 34  1  0
 19 74  1  0
 20 28  1  0
 20 35  1  0
 21 29  1  0
 21 36  1  0
 22 38  1  0
 23 39  2  0
 24 40  1  0
 25 41  2  0
 26 42  1  0
 26 72  1  1
 27 66  1  0
 27 75  2  0
 28 67  1  0
 28 76  2  0
 29 70  1  0
 29 77  2  0
 30 37  2  0
 30 43  1  0
 31 66  1  0
 32 68  1  0
 33 68  1  0
 34 69  1  0
 35 69  1  0
 36 67  1  0
 37 44  1  0
 37 70  1  0
 38 46  2  0
 39 45  1  0
 39 46  1  0
 40 45  1  0
 40 47  2  0
 41 47  1  0
 41 48  1  0
 42 48  1  0
 43 49  2  0
 44 50  2  0
 45 79  2  0
 46 78  1  0
 47 80  1  0
 48 81  1  0
 49 50  1  0
 51 78  1  0
 52 53  1  0
 52 81  1  0
 52 82  1  0
 54 57  1  0
 54 58  1  0
 54 82  1  0
 55 53  1  0
 55 57  1  0
 55 83  1  0
 56 59  1  0
 56 83  1  0
 57 84  1  0
 59 85  1  0
 60 61  1  0
 60 83  1  0
 60 84  1  0
 61 85  1  0
 61 86  1  0
 62 86  1  0
 87 88  1  0
 88 89  2  0
 89  7  1  0
 90 87  1  0
M  RAD  8   1   2   2   2   3   2   4   2   8   3  10   2  13   3  15   3
M  RAD  8  16   3  17   3  18   3  19   3  20   3  21   3  22   2  31   3
M  RAD  8  32   3  33   3  34   3  35   3  36   3  38   2  42   3  43   2
M  RAD  8  44   2  48   2  49   2  50   2  51   2  52   2  53   3  54   2
M  RAD  8  55   2  56   3  57   2  58   2  59   3  60   2  61   2  62   2
M  RAD  7  63   2  66   2  67   2  71   2  72   2  80   2  90   2
M  END
$$$$
