YMQ0400
     RDKit          3D

101105  0  0  1  0  0  0  0  0999 V2000
  -18.7142    2.6116    0.0555 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.1818    1.7691    4.1015 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.5745   -0.7851   -2.1740 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.5529   -0.1531   -1.4100 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.2824    1.4861    2.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9776    0.9235    3.0077 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2741    1.0460   -3.8297 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.8963   -1.9119   -2.9172 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.5607    1.1006    0.4492 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.8665   -0.6473   -1.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9162    0.0282   -0.5360 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.5661   -0.4671    2.8215 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.1958   -2.4112   -2.8980 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.8568    3.3877   -1.7723 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.7986    2.7977   -0.1245 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.5580   -1.1120    0.2142 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.3256   -0.1243    1.3913 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4650   -0.1822    2.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9419   -0.3114    2.9320 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.1918    3.1403   -0.7281 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.6895    1.3311   -2.4221 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.1727   -1.7719   -2.1298 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.9430   -2.3605    3.3747 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.5207    2.2204   -0.9028 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8937   -1.5124    0.1689 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0372   -0.5577    1.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2045    1.6164   -1.1064 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.2527   -1.0694    2.8257 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.5181   -2.9252    3.4916 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.8335    1.2407   -2.8975 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.6944    0.3515   -5.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3221    0.1786   -5.2498 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.0111   -1.3755   -3.6075 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.8973   -1.8453   -3.3999 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.1578   -0.7508   -2.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4302    0.8141   -1.3024 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9458   -1.3288    2.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7423   -1.4045    1.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384   -0.4749    2.5061 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9481    3.2310    2.4019 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.1688    1.2593    1.1926 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.6763   -1.0318   -1.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2982    0.5659   -0.0883 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.3016    0.7550    1.4234 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.7132    1.0610   -1.5210 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.6268    0.1458   -3.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0458    0.3754   -4.3793 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.1118   -0.2878   -3.6150 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.4823   -1.3070   -3.1052 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1787   -1.5923    2.8177 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.7635   -0.1437   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5395    0.0675    1.7113 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1718   -0.9063    2.4604 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3341    2.4371    1.1222 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.4957    1.3636    0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5541   -0.0615   -0.9522 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.8849    0.8187    1.2272 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.7157    0.5504    1.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4731   -0.1989   -0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3706   -1.1252   -3.2239 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7907    3.0389   -0.2001 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.3153    1.1940    2.8255 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.7627    0.2124   -2.1428 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.8978   -1.7926   -0.0657 C   0  0  0  0  0  1  0  0  0  0  0  0
   20.3726   -0.3852    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3081   -1.2850   -1.8393 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2102    0.0713   -2.1762 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.4358    0.6737   -3.4606 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.4912    1.1974    3.5223 C   0  0  0  0  0  1  0  0  0  0  0  0
   20.1705   -0.7365    3.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7827    2.5061    2.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242   -0.9513    3.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7674    0.6814    1.4642 N   0  0  0  0  0  2  0  0  0  0  0  0
  -16.6227   -1.3630    2.7180 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7695    0.7670   -5.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2183   -1.3383   -3.4200 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501   -1.9038    3.0663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955    0.2935    1.3215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8220    0.2392    2.0869 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4959   -2.0549   -1.7806 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1567   -0.2647   -0.5731 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.0164    0.5707    0.5477 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1852    0.2354    0.3275 N   0  0  0  0  0  2  0  0  0  0  0  0
   16.0623    0.6402   -3.5181 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0106   -0.5878    2.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6179    0.0425   -5.9513 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.1175   -2.3536   -3.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2044    0.4688   -2.3885 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.0390   -1.7879    1.1127 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.8611   -0.7445   -0.3783 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3409   -1.6401    0.9713 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0248   -1.3395   -0.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8938    2.4462    0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9427    1.0757    2.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5062    1.3545    1.2355 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2561   -1.8236    2.3285 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3266    0.6954    1.2780 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9650   -0.9755    4.8732 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.2147    0.5182    2.6378 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9782   -1.9149    3.9796 C   0  0  0  0  0  1  0  0  0  0  0  0
   21.7270   -0.9449    5.3632 C   0  0  0  0  0  1  0  0  0  0  0  0
  3  4  2  0
  3  8  1  0
  4 10  1  0
  5  6  1  0
  5 71  2  0
  5 73  1  0
  6  2  1  0
  6 12  1  0
  7 21  1  0
  8 13  2  0
  9  1  1  0
  9 11  1  0
  9 73  1  0
 10 11  1  0
 10 22  2  0
 11 81  1  0
 12 74  1  0
 13 22  1  0
 14 24  1  0
 15 24  1  0
 16 25  2  0
 16 26  1  0
 17 26  1  0
 17 78  1  0
 18 72  2  0
 18 78  1  0
 18 79  1  0
 19 79  1  0
 21 27  1  0
 23 29  1  0
 25 38  1  0
 26 39  2  0
 27 20  1  0
 27 43  1  0
 28 12  1  0
 28 23  1  0
 28 85  1  0
 29 50  1  0
 30 45  2  0
 30 46  1  0
 31 46  1  0
 31 75  2  0
 31 86  1  0
 32 47  1  0
 32 86  1  0
 33 48  1  0
 33 87  1  0
 34 49  1  0
 34 87  1  0
 35 49  1  0
 35 76  2  0
 35 88  1  0
 36 24  1  0
 36 51  1  0
 36 88  1  0
 37 52  1  0
 37 77  2  0
 37 89  1  0
 38 53  2  0
 38 89  1  0
 39 53  1  0
 40 54  1  0
 41 54  1  0
 41 55  1  0
 41 79  1  0
 42 80  2  0
 42 90  1  0
 43 57  1  0
 43 90  1  0
 44 58  1  0
 45 59  1  0
 46 60  2  0
 47 84  1  0
 48 84  1  0
 50 85  1  0
 51 82  1  0
 51 92  2  0
 52 62  1  0
 52 82  1  0
 54 61  1  0
 55 83  1  0
 55 93  2  0
 56 42  1  0
 56 63  1  0
 56 83  1  0
 57 44  1  0
 57 94  1  0
 58 85  1  0
 58 95  2  0
 59 65  1  0
 59 66  2  0
 60 66  1  0
 63 67  1  0
 63 68  1  0
 64 90  1  0
 65 91  2  0
 65 97  1  0
 69 94  1  0
 70 96  2  0
 70 98  1  0
 70 99  1  0
 74100  1  0
 91 96  1  0
 97 99  2  0
101 98  1  0
M  RAD  8   1   2   2   2   3   2   4   2   6   2   7   2   8   2   9   2
M  RAD  8  11   2  12   2  13   2  14   2  15   2  16   2  17   3  19   2
M  RAD  8  20   2  21   3  22   2  23   3  24   2  25   2  27   2  28   2
M  RAD  8  29   3  30   2  32   3  33   3  34   3  36   2  39   2  40   2
M  RAD  8  41   2  43   2  44   3  45   2  47   3  48   3  49   3  50   3
M  RAD  8  52   2  53   2  54   2  56   2  57   2  60   2  61   2  62   2
M  RAD  8  63   2  64   2  66   2  67   2  68   2  69   2  73   2  81   2
M  RAD  7  82   2  83   2  86   2  88   2  89   2 100   2 101   2
M  END
$$$$
