DRG07170
     RDKit          3D

124130  0  0  1  0  0  0  0  0999 V2000
    0.3989   -3.6948    5.4115 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.4903   -2.8314    5.4122 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3352   -4.7270    4.4745 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7013   -2.1971    4.5937 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7613   -0.8848    5.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5696   -3.0857    4.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782   -1.0056    8.0043 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5406    2.5733    8.1824 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7684    3.1028    7.0869 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9866   -0.0589    6.0411 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9359   -1.5692    4.7532 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8008   -4.7035    2.8539 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.4907   -6.8238    0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5834   -1.0121    6.4757 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1127   -0.8114    9.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1256    1.5024    9.1333 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3872    1.3297    6.3693 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7353   -3.6229    2.5666 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8643   -5.6710    3.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8136   -6.2837    1.9313 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2806    2.7026    6.9011 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4099   -2.1573    3.3930 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3996   -4.9464    3.6163 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5150   -4.1187    3.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7888   -1.1670    2.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6976   -6.0495    3.0623 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9907    0.1661    2.4327 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6547   -4.4542    2.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4784   -7.1793    3.8731 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.8982   -4.6274    3.7657 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4895   -2.1435    1.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4900   -3.5929    2.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284    0.5493    1.1117 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3581   -1.7228    0.5006 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4787   -0.3954    0.1466 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.8043   -0.3754    4.6417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6962   -7.0991    0.7023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4819   -5.9714    1.9163 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.0530    2.5439    6.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8095   -2.7240    2.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5660    0.3308    9.9382 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6622   -7.1396   -0.3474 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.7817   -1.4512    4.2293 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0182    3.4748    7.3615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -1.2626    5.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0387   -6.1478    4.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4747   -1.6791   10.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215   -5.7511    2.6991 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2886   -5.7105    2.0766 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4884   -4.4453    1.6815 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7576   -1.8526   -1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6209   -2.8140   -1.7989 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5736   -3.9665   -1.6569 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.5460   -5.1591   -1.5573 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1330    9.0934   -1.7254 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.7568    5.4213   -3.2938 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6203   -6.2728   -1.4244 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3764   -4.8801   -3.6032 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8018   -1.7272   -3.7100 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.7281   -0.1064   -3.6146 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.9545    4.2331   -4.1937 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2990    6.3267    2.0088 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2852    5.9335   -1.8591 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9785    5.6483    3.7637 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7424    0.7757   -4.3333 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.4689   -6.5189   -2.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5265   -5.3580   -4.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876   -4.3207   -4.3088 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4286   -3.5947  -10.4547 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.8336   -0.7750   -4.4849 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0674    4.8883    4.1922 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3972    5.7493    0.9833 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4503    5.5059    2.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9986    5.4259   -1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725    6.8670   -1.1712 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5315   -5.2236   -5.6487 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2456   -0.1486   -5.7605 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3425   -4.1927   -5.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218   -1.8868   -7.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5128   -3.6370 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3151    4.2871   -1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0506    4.5719    1.6305 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6565    3.9705    3.3307 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1541    6.2104   -0.2415 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0189   -3.4805   -8.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4711   -4.6483   -6.3628 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2522   -3.5930   -6.4089 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2070   -2.2532   -8.5474 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5864    1.3255   -5.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0681    3.0886   -4.8035 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1985    3.8894   -2.4428 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1652    3.8458    2.0438 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9544    7.2371    0.4952 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6695    4.0763   -5.8157 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3607    6.4473   -0.8050 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3090   -1.8850   -9.4270 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4224    7.5733    0.2384 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2350    3.9213   -7.2943 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.1769   -0.8306  -10.5911 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.6271   -2.7343   -9.5389 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.5999    5.4513   -5.4263 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.1904   -3.2010   -0.8504 N   0  0  0  0  0  1  0  0  0  0  0  0
  -13.5965   -0.9843   -1.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5808   -1.6750   -1.8858 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9496    7.4545    2.4744 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.6338   -5.8431   -3.6356 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5169    6.1851   -0.3023 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.6911    7.8298   -2.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0995   -2.6672   -6.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6635    3.3976   -0.8372 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011    3.1877   -3.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1778   -3.0826   -9.0196 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316    1.7136   -4.9559 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5251   -7.2758   -2.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2151   -3.0508   -7.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316    4.4358   -1.8043 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949   -0.6840   -6.9956 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.2964    5.6273   -1.0476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716   -4.1706   -8.9272 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071    2.1255   -6.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538    6.9449   -5.0116 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.7484    5.4439    0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299    4.5771    1.4061 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.7939   -4.0451    1.1165 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  6  1  0
  3 23  2  0
  4  6  1  0
  4 43  1  0
  5 14  1  0
  5 36  2  0
  5 43  1  0
  6 24  2  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 44  1  0
  9 21  1  0
  9 44  1  0
 10 17  1  0
 10 45  1  0
 11 22  1  0
 11 45  1  0
 12 18  1  0
 12 19  1  0
 13 37  2  0
 13 42  1  0
 15 41  1  0
 15 47  2  0
 16 41  1  0
 17 39  1  0
 18 40  1  0
 19 38  1  0
 19 46  2  0
 20 13  1  0
 20 26  1  0
 20 38  1  0
 21 39  1  0
 22 40  1  0
 23 24  1  0
 24 28  1  0
 25 27  1  0
 25 31  2  0
 25 43  1  0
 26 29  1  0
 26 30  1  0
 27 33  2  0
 28 32  2  0
 28 48  1  0
 31 32  1  0
 31 34  1  0
 33 35  1  0
 34 35  2  0
 48 49  2  0
 49 50  1  0
 50 32  1  0
 50124  1  0
 51102  1  0
 51103  2  0
 51104  1  0
 52 53  1  0
 52104  1  0
 53 54  1  0
 55108  1  0
 57 54  1  0
 57 66  1  0
 57 42  1  0
 58 67  2  0
 58 68  1  0
 59 70  1  0
 60 70  1  0
 61111  1  0
 62 72  1  0
 62 73  1  0
 62105  1  0
 63 56  1  0
 63 74  1  0
 63 75  1  0
 64 71  2  0
 64 73  1  0
 65113  1  0
 66106  1  0
 66114  2  0
 67 76  1  0
 67106  1  0
 68 78  2  0
 69112  1  0
 71 83  1  0
 72107  1  0
 72123  1  0
 73 82  2  0
 74107  1  0
 74116  2  0
 75 84  1  0
 75108  1  0
 76 86  2  0
 77 70  1  0
 77 89  1  0
 77117  1  0
 78 86  1  0
 78 87  1  0
 79109  2  0
 79117  1  0
 80 90  1  0
 80 91  1  0
 80111  1  0
 81 91  1  0
 81110  2  0
 81118  1  0
 82 92  1  0
 83 92  2  0
 84 93  1  0
 84118  1  0
 84122  1  1
 85112  1  0
 85115  1  0
 85119  2  0
 87115  1  0
 88 79  1  0
 88 96  1  0
 88112  1  0
 89113  1  0
 89120  2  0
 90 94  1  0
 90113  1  0
 93 97  1  0
 94 98  1  0
 94101  1  0
 95 97  1  0
 95118  1  0
 96 99  1  0
 96100  1  0
101121  1  0
M  RAD  8   1   2   2   2   3   2   4   3   7   3   8   3   9   3  10   3
M  RAD  8  11   3  12   3  14   3  16   3  17   3  18   3  20   2  21   3
M  RAD  8  22   3  23   2  26   2  27   2  29   2  30   2  33   2  34   2
M  RAD  8  35   2  38   2  41   2  42   2  52   3  53   3  54   3  55   2
M  RAD  8  56   2  57   2  58   2  59   2  60   2  61   2  62   2  63   2
M  RAD  8  64   2  65   2  68   2  69   2  70   2  71   2  72   2  75   2
M  RAD  8  76   2  77   2  80   2  82   2  83   2  86   2  87   3  88   2
M  RAD  8  90   2  91   3  92   2  93   3  94   2  95   3  96   2  97   3
M  RAD  8  98   2  99   2 100   2 101   3 102   3 104   2 105   2 106   2
M  RAD  5 107   2 117   2 121   2 123   2 124   2
M  END
$$$$
