DRG07128
     RDKit          3D

110113  0  0  1  0  0  0  0  0999 V2000
    4.0862   -5.9514    5.0263 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.0958    0.5935    6.2186 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.6093   -2.7831    5.0091 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.7355    1.7239    3.8914 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.2183    0.6243    4.8869 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4365   -7.0640   -1.9852 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.8977   -4.8279   -0.0218 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.3477   -2.1197    4.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5577   -7.0100   -1.1299 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9753   -5.8761   -2.4675 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8039   -3.5056    4.7407 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.9299    1.5487    3.4051 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.8457    0.1609    4.9004 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8516   -0.2050    3.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7970    0.1664    4.3864 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.3388   -2.1801    2.8266 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.8962   -2.8263    0.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3259   -4.5671    0.1999 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7039   -3.6776    5.6539 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2991   -5.8481   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170   -4.7601   -2.5375 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9974   -3.8126    7.2183 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.7655    1.1624    5.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0643   -1.9358    2.0711 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5785   -1.9787    2.0904 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3700   -5.7225    0.1408 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9717   -4.7756   -1.7892 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9754    0.8445    5.3203 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2120   -3.2877    5.4305 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.4486    0.5072    5.6028 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4463   -3.1946    1.6049 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0471   -2.5323    2.9818 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1293   -0.4804    2.0954 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.8259   -0.0921    6.9139 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0980   -3.7785    2.0902 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9366    0.2939    7.7271 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1665    2.7264    5.9778 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.2820   -0.8027    7.7721 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.0430    0.6668    8.7714 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.4083   -1.9420    3.9935 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4757   -4.6657    4.2733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6156    0.6644    3.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3221   -3.2469    3.7119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1140   -2.8623   -0.0295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1124   -1.1807    1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858   -1.1642    4.9931 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.4658    0.8118    4.6146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600   -1.5239    3.0333 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1196   -3.4235    0.9403 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.9853    2.2178    5.7018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5940    1.5113    6.3753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7536   -6.7224    0.8472 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5588    1.8866   -9.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7745    4.6238   -8.7576 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6966    3.1787   -9.2807 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5131    1.1943   -9.0682 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6434    0.9516   -7.7826 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2547    0.8093   -6.5161 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.3807   -5.3088   -0.8371 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3340   -4.0495    1.2749 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5712   -4.7542    3.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009    6.0733    1.0146 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7637    6.9385   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    0.8918   -5.3481 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1595   -5.2014   -2.2145 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7155   -4.1572   -0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510    4.8424    0.8649 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0926    6.5811   -6.1725 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2470    4.9083   -5.7059 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5656    7.4976   -3.3150 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2941    3.0605   -3.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260    1.1460   -4.3601 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.0156   -2.9750   -0.7911 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3362   -2.6528   -4.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2905   -3.9845   -2.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7033    4.9188   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446    6.7201   -2.1453 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1230    8.2597   -4.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2548    7.5554   -5.7713 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7603    3.9167   -4.6372 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6081    0.2411   -4.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604   -1.9767   -3.6955 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.8041   -2.9010   -2.1699 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5644   -2.7346   -2.6017 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1882   -3.6410   -1.3615 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0647   -4.6018   -0.1339 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0388   -5.5661    1.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6013    1.3747  -10.3613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890    1.5367  -10.2873 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.4129   -5.6868    3.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533    8.1511    0.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    3.2886   -2.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891   -2.1164   -5.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6788   -3.7502    2.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3549    8.4943   -5.4707 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.3115   -1.0796   -4.3025 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3960    6.1635   -1.0309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0943    5.8160   -6.6152 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7346   -3.8851   -4.1364 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.4322    2.3994   -3.8001 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5112    4.0944   -0.9051 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7222    0.7793   -4.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2705    8.7011   -4.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969   -5.6149    0.9464 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.6311   -4.5889    2.4162 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255   -6.8601    2.0732 N   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8241    5.9006   -8.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5396    6.6455   -9.3857 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7593    3.8677    2.0884 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6327    5.2093    2.9856 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 41  1  0
  2  5  1  0
  3 43  1  0
  4  5  1  0
  6  9  2  0
  6 10  1  0
  8 40  2  0
  8 46  1  0
  9 20  1  0
 10 21  2  0
 11  8  1  0
 11 19  1  0
 11 41  1  0
 12 47  1  0
 13  5  1  0
 13 23  1  0
 13 46  1  0
 14 15  1  0
 14 42  2  0
 14 48  1  0
 16 24  1  0
 16 25  1  0
 16 43  1  0
 17 25  1  0
 17 44  2  0
 17 49  1  0
 18  7  1  0
 18 26  1  0
 18 49  1  0
 19 22  1  0
 19 29  1  0
 20 26  1  0
 20 27  2  0
 21 27  1  0
 23 47  1  0
 23 50  2  0
 24 31  1  0
 24 45  1  6
 24 48  1  0
 25 33  1  0
 26 52  1  0
 28 15  1  0
 28 30  1  0
 28 51  1  0
 30 34  1  0
 30 47  1  0
 31 35  1  0
 32 35  1  0
 32 48  1  0
 34 36  1  0
 34 38  1  0
 36 39  1  0
 37 51  1  0
 41 61  1  0
 53 55  1  0
 53 88  2  0
 53 89  1  0
 54 55  1  0
 54107  1  0
 56 57  1  0
 56 89  1  0
 57 58  1  0
 58 64  1  0
 59 65  2  0
 59 66  1  0
 60 66  1  0
 60 94  1  0
 61 90  2  0
 61 94  1  0
 62 63  1  0
 62 67  1  0
 63 91  2  0
 63 97  1  0
 65 75  1  0
 66 73  2  0
 67 76  1  0
 67109  1  0
 68 79  1  0
 68 98  1  0
 69 80  1  0
 69 98  1  0
 70 77  1  0
 70 78  1  0
 71 80  1  0
 71 92  2  0
 71100  1  0
 72 64  1  0
 72 81  1  0
 72100  1  0
 73 83  1  0
 74 82  1  0
 74 93  2  0
 74 99  1  0
 75 83  2  0
 75 99  1  0
 76 97  1  0
 76101  2  0
 77 97  1  0
 78 95  1  0
 78103  2  0
 79 95  1  0
 81 96  1  0
 81102  2  0
 82 84  1  0
 82 96  1  0
 84 85  1  0
 85 86  1  0
 86104  1  0
 87104  1  0
 87105  2  0
 87106  1  0
107108  1  0
109110  1  0
M  RAD  8   1   2   2   2   3   2   4   2   5   2   6   2   7   2   9   2
M  RAD  8  10   2  11   2  12   2  13   2  15   3  16   2  18   2  19   2
M  RAD  8  21   2  22   2  25   2  26   2  27   2  28   2  29   2  30   2
M  RAD  8  31   3  32   3  33   2  34   2  35   3  36   3  37   2  38   2
M  RAD  8  39   2  46   2  49   2  52   2  54   3  55   3  56   3  57   3
M  RAD  8  58   3  59   2  60   3  62   3  64   3  65   2  67   2  68   3
M  RAD  8  69   3  70   3  72   2  73   2  77   3  79   3  80   3  82   2
M  RAD  8  83   2  84   3  85   3  86   3  89   2  95   2  96   2  99   2
M  RAD  5 100   2 104   2 106   3 108   2 110   2
M  END
$$$$
