DRG07038
     RDKit          3D

112117  0  0  1  0  0  0  0  0999 V2000
   13.9767    1.9535    8.8770 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.6462    1.7782    8.2231 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.7907    0.8723    8.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5348    0.7786    8.0007 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.9506    0.1424    9.7394 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861    0.6940    7.0477 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.2323    0.5318    6.0164 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.1689    1.3561    6.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5284    1.3073    4.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7615    2.0241    7.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3382    1.9019    4.6704 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9606    2.4084    4.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692    2.8757    2.9722 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.6320    3.5565    5.2504 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0467    1.2634    4.5691 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2993    0.1685    4.7353 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3661    4.6237    6.0063 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    4.3805    6.6850 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9371    4.1682    7.4717 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2146    4.0182    8.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0247    4.4435    9.4566 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.1693   -0.8039    5.0136 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3158   -1.8103    5.3017 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3872   -2.5661    5.5065 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9937   -3.9109    5.3422 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.8620    2.7826    2.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052    3.3675    2.7302 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.8286    2.3325    1.0827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3202   -0.3032    7.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234    5.2758    3.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319    4.5990    3.1573 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5551    6.4654    2.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972    3.9822    3.0268 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.9079   -0.7788    6.6453 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.0715   -0.1262    8.9037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2599   -1.7065    5.7468 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.4379   -1.7432    4.1995 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.2897   -0.8837    3.4235 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.0697   -0.0741    4.3472 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.8976   -0.0311    5.9031 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.9892   -0.5042    2.0886 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.6370   -0.0776    0.8465 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1286    1.0759    0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5076    1.1953   -1.0164 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.8193    0.0142   -1.3593 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.9381   -0.8318   -0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0633    1.7970    0.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5904   -2.0111   -0.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9768   -1.0440  -10.9201 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.2347   -2.1702   -9.8389 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4056   -3.0106   -9.9552 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4863   -4.3297   -9.5267 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2004   -5.4623  -10.0299 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9413   -6.2605   -8.9681 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7116   -5.6489   -7.9105 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3389   -5.2234   -6.9831 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.1184   -4.7936   -5.7236 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6535   -4.4342   -4.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1277   -3.2889   -3.9484 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.4611   -2.1206   -3.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075   -1.8589   -4.0242 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5361   -0.6476   -3.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1703    0.3301   -3.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4467    0.0713   -2.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0896   -1.1558   -2.7209 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0425    1.0274   -1.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520    1.3332   -2.1267 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.3978    1.8333   -2.6402 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2840   -0.4970   -4.5226 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511   -1.6380   -4.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152   -2.6313   -3.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -1.6822   -5.6099 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6138   -1.9116   -6.5514 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.4450   -1.4272   -7.9662 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2503   -2.4096   -8.7995 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0673   -2.1332   -9.0594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5472    0.1221   -8.2202 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5666   -2.8732   -6.1351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8706   -2.6345   -6.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3256   -1.7234   -7.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7462   -3.6910   -5.8332 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4756   -5.1910   -6.2539 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8951   -3.2939   -5.1463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0807   -4.2399   -5.1786 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8425   -2.0819   -4.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8227   -1.4096   -4.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0670   -1.6042   -3.8174 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4450   -1.1560   -3.2685 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0446   -0.7626   -2.8859 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1809    0.7232   -5.3957 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.9260   -5.1200   -4.0631 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.7731   -7.6561   -9.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4993   -8.4362   -8.0925 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.1596   -4.9811  -11.0301 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.3028   -3.6763  -11.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2005   -3.2766  -12.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3993   -2.6930  -10.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237   -6.2218  -10.6570 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.5662   -0.7551    5.6729 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.8718    0.2234    6.9037 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2652    0.5629    7.2271 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6471    4.2752    4.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7620    4.5389    3.3398 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7774    1.9296    6.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8846    3.4298    5.1806 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1018    3.3479    4.1745 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.2479    5.1784    5.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7753    2.7112    6.3273 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.9836   -0.3466    7.9809 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0340    3.8215    3.6889 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.9196    2.3021    7.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7681   -0.0165    8.0463 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 13 26  1  0
 14 17  1  0
 15 16  1  0
 16 22  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 26 27  1  0
 26 28  2  0
 27 33  1  0
 29 34  1  0
 29 35  2  0
 29109  1  0
 30 31  1  0
 30 32  2  0
 30103  1  0
 31 33  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 41  1  0
 39 40  1  0
 40 34  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 43 47  2  0
 44 45  1  0
 45 46  1  0
 46 42  1  0
 46 48  2  0
 50 49  1  0
 50 51  1  0
 50 75  1  0
 51 52  1  0
 51 97  1  0
 52 53  1  0
 53 54  1  0
 53 94  1  0
 53 98  1  6
 54 55  1  0
 54 92  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 58 91  1  0
 59 60  1  0
 60 61  2  0
 60 65  1  0
 61 62  1  0
 62 63  2  0
 62 69  1  0
 63 64  1  0
 63 68  1  0
 64 65  2  0
 64 66  1  0
 66 67  1  0
 69 70  1  0
 69 90  1  0
 70 71  2  0
 70 72  1  0
 72 73  1  0
 73 74  1  0
 73 78  1  0
 74 75  1  0
 74 76  1  0
 74 77  1  1
 75 76  1  0
 78 79  1  0
 79 80  2  0
 79 81  1  0
 81 82  1  0
 81 83  1  0
 83 84  1  0
 83 85  1  0
 85 86  2  0
 85 87  1  0
 87 88  1  0
 88 89  1  0
 89 45  1  0
 92 93  1  0
 94 95  1  0
 95 96  2  0
 95 97  1  0
 99100  1  0
100101  1  0
100112  1  0
101104  1  0
101109  1  0
102105  1  0
102107  2  0
102110  1  0
103110  1  0
104108  1  0
104111  2  0
105106  1  0
105108  1  0
M  RAD  8   1   2   2   2   4   3   6   3   7   2  11   3  13   2  14   3
M  RAD  8  15   3  18   3  19   3  21   2  22   3  23   3  25   2  27   3
M  RAD  8  31   3  33   3  34   2  36   3  37   3  38   2  39   3  40   3
M  RAD  8  41   3  44   3  45   2  49   2  50   2  51   2  52   3  54   2
M  RAD  8  55   2  56   2  57   2  59   3  61   2  65   2  67   2  72   3
M  RAD  8  73   2  75   2  77   2  81   2  82   2  84   2  87   3  88   3
M  RAD  8  90   2  91   2  93   2  94   2  98   2  99   2 100   2 101   2
M  RAD  7 103   3 105   2 106   2 108   2 109   2 110   2 112   2
M  END
$$$$
