JGF0192 ADC
     RDKit          3D

 77 84  0  0  1  0  0  0  0  0999 V2000
    1.3360   -4.1456   -2.9533 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0882   -5.3001   -2.7255 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3122   -3.1316   -2.0156 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9234   -5.3911   -1.6310 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1372   -3.2272   -0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466   -4.3540   -0.7106 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.2436    3.2922    3.3448 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.4090    2.6330    2.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2973   -2.1567    0.0020 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.5243    2.7220    3.3082 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.0177    0.2935   -0.5408 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.4052   -0.0228   -3.1271 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.5498    1.0896   -3.7001 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8162   -1.0435    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558   -1.1989    0.9985 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8660   -1.8479    2.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146   -2.9072    0.8599 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2677   -2.1249   -0.9524 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.1935    0.0677   -5.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4229    1.6098    2.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4569   -1.4475   -1.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6424    0.8470    0.7478 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2659    0.0529   -1.8528 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.3293   -0.0577   -4.2143 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4985    1.1496   -2.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6243   -0.1728   -0.7712 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8828   -1.2061    2.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5392   -1.2499    2.6685 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3159   -3.8421   -0.5947 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1802   -4.0888    0.9001 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3779   -2.5258   -1.1402 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1530   -3.0367    1.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7354   -1.5154   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6314    0.2988   -1.6682 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8929   -3.2442    3.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5320   -1.7471    1.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2713   -0.3064   -0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9558    2.3259   -2.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9730   -2.1173    4.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7976   -0.6863    2.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6465    0.5916    0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3363    1.7251   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4540   -0.8962    3.5533 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.9790    3.2273   -1.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8239    4.1070   -2.5235 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2732    2.5621    0.2416 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2337    3.2914   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4268    4.1354    0.0555 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.2226    5.1019   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9605    5.0382    1.1610 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2548    2.9937    2.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0867   -0.7348   -6.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2400   -2.1902    0.3070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5505   -1.3342    3.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676    0.3812   -1.5897 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.7462   -0.4497    2.3345 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.0196    3.5172    3.5335 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1177    1.6318    1.7549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5474   -0.2245   -1.4040 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4970    1.1797   -4.8861 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.8239   -0.4787    0.8849 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1954   -3.0223    2.3315 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2527   -2.8453   -0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3416    0.8188    2.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826    1.9519   -2.8877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3352   -1.8479    3.2959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3854   -2.2714   -2.0179 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8154   -4.6810    3.8516 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.7757    2.2935   -3.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3102    1.4702   -1.5121 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8009   -2.1987    5.3531 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4502    0.4544    1.8922 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8077    4.9851   -2.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5272    6.0145    2.2966 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.3786    3.2960    0.4748 O   0  0  0  0  0  1  0  0  0  0  0  0
  -13.1361    5.9083   -0.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2160    4.2121    1.9080 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  9  1  0
  7  8  1  0
  7 10  1  0
  8 51  2  0
  8 58  1  0
 10 20  1  0
 10 57  1  0
 11 22  1  0
 11 23  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 60  1  0
 14 26  1  0
 14 53  2  0
 14 61  1  0
 15  9  1  0
 15 27  1  0
 15 61  1  0
 16 28  1  0
 16 54  2  0
 16 62  1  0
 17 62  1  0
 17 63  1  0
 18 21  1  0
 18 63  1  0
 19 24  1  0
 19 52  2  0
 19 60  1  0
 20 58  1  0
 20 64  2  0
 21 59  2  0
 21 67  1  0
 22 58  1  0
 25 55  1  0
 25 65  2  0
 26 55  1  0
 27 66  2  0
 28 56  1  0
 29 30  1  0
 29 31  1  0
 30 32  1  0
 31 33  1  0
 31 67  1  0
 32 35  2  0
 32 36  1  0
 33 36  2  0
 33 37  1  0
 34 37  1  0
 34 70  1  0
 35 39  1  0
 35 68  1  0
 36 40  1  0
 37 41  2  0
 38 44  1  0
 38 69  2  0
 38 70  1  0
 39 43  2  0
 39 71  1  0
 40 43  1  0
 40 72  2  0
 41 42  1  0
 41 72  1  0
 42 46  2  0
 44 45  1  0
 44 47  2  0
 45 73  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 48 50  1  0
 48 75  1  1
 49 73  1  0
 49 76  2  0
 50 74  1  0
 56 27  1  0
 57 77  1  0
 70 42  1  0
M  RAD  8   1   2   2   2   3   2   4   2   6   2   7   3   9   3  10   2
M  RAD  8  11   3  12   3  13   3  15   2  17   3  18   3  22   3  23   3
M  RAD  8  24   3  26   3  28   3  29   3  30   3  31   2  34   3  43   2
M  RAD  8  45   3  46   2  50   3  55   2  56   2  60   2  61   2  62   2
M  RAD  5  67   2  68   2  74   2  75   2  77   2
M  END
$$$$
