TJL0088
     RDKit          3D

 96 99  0  0  1  0  0  0  0  0999 V2000
   10.3935   -4.9026    2.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662    2.7021    0.6355 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.6914    1.6394    0.1703 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2402    2.7781    0.3494 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0354    1.9480   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7264    2.4005   -4.8668 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2459    2.0473    1.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2493   -2.9773    1.2769 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8114    2.1558   -0.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    1.3673   -1.3440 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7522    1.8566    3.4800 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.7098    3.8638   -1.4817 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.9793    2.3410   -3.3238 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.0428   -0.3587    1.1663 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.0098   -0.9547    2.6942 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0254   -1.4200    1.0017 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9392    1.4513   -1.6214 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2667    2.4052   -1.9279 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.5348   -0.6098    2.8464 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.6191   -1.4472    1.9156 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.6287   -0.2189   -0.1560 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.8729   -0.1761    1.3792 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.8553   -3.0333   -3.0613 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.7916   -2.4005    1.3339 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.7005    0.0363    0.4581 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.8284    1.0730   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1161    1.3349   -0.9273 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6347   -1.9249    3.2176 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6067    0.0939    1.8092 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.8970   -0.6572   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5772    1.0161    1.1502 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.7841   -1.1617   -0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6193    0.3675    0.9503 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.2891    1.1657   -0.3364 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.4856    1.6439    0.4639 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4551   -1.0546    2.6786 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3442    0.0475    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7095   -1.5217   -0.4340 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.3785    0.3543    2.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0729   -1.5097   -2.6580 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.3731   -2.2603    0.0157 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.4154   -1.0689   -2.1782 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.7648    0.3690   -2.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4762    1.2576   -0.1696 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9795   -2.8555   -0.9679 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2305   -0.2800   -2.6069 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1493   -1.2869    3.5098 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.4469    0.7076   -1.5301 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.1617    2.4750    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1537   -3.4947   -2.1174 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2201   -3.6868   -0.5138 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.9626    3.0693    2.2404 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.8503   -4.6780    0.9669 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.2292   -3.4966    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1704    1.0048   -2.4039 C   0  0  0  0  0  1  0  0  0  0  0  0
   11.3099    3.1564   -0.5521 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.2676   -0.4934   -1.8153 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.8804    2.1422   -1.8631 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.4840    4.1152   -0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5960    2.0179   -2.9671 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.9420    3.2939    0.8605 C   0  0  0  0  0  1  0  0  0  0  0  0
   18.1031   -4.8232    0.3632 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.6957   -1.8708   -1.2475 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.6065    0.8158   -2.1606 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.1740    3.2710   -1.1051 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.2208    3.2195   -2.0040 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.1954   -3.6991   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3906    4.5872   -2.7985 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.6869   -4.1647    3.4050 N   0  0  0  0  0  1  0  0  0  0  0  0
   11.0563   -5.9304    1.9923 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4087   -4.4540    1.3754 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4967    1.2032    0.5751 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.2433   -0.9824 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1327    1.3345    2.2055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2121   -0.5496    1.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037    3.2664    1.3942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4562   -1.1790    0.0005 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.7231    0.0546    1.9595 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4869    1.2946   -2.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4169    0.1150   -1.1757 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3621   -0.0600   -1.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9014   -0.9537   -2.2653 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.2253   -3.0588    0.9954 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2975    2.2666    1.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    2.2974   -0.5150 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7301    1.0921   -0.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4884    2.3358    1.1327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8303    0.0698    3.2131 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1953    4.9222    0.4742 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2637   -0.8499   -3.1099 O   0  0  0  0  0  1  0  0  0  0  0  0
  -12.3238    2.3601   -0.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9887   -3.0068   -0.5764 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2378    3.8016    0.2273 N   0  0  0  0  0  2  0  0  0  0  0  0
   19.2054   -3.4276   -1.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5522   -5.2499    1.1843 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3402   -7.0417    1.1522 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 69  1  0
  1 70  2  0
  1 71  1  0
  2  4  2  0
  2  5  1  0
  3  5  1  0
  3 72  1  0
  4  9  1  0
  5 10  2  0
  6 13  1  0
  7 72  1  0
  7 74  1  0
  7 76  2  0
  8 16  1  0
  8 71  1  0
  9 17  2  0
  9 73  1  0
 10 17  1  0
 11 74  1  0
 13 18  1  0
 14 20  2  0
 14 21  1  0
 15 19  1  0
 15 22  1  0
 16 25  1  0
 18 12  1  0
 18 27  1  0
 19 78  1  0
 20 24  1  0
 21 32  2  0
 24 41  2  0
 26 73  1  0
 26 81  2  0
 27 35  1  0
 27 80  1  0
 28 36  1  0
 29 36  1  0
 29 37  1  0
 29 74  1  0
 30 75  2  0
 30 80  1  0
 31 35  1  0
 31 39  1  0
 32 41  1  0
 32 42  1  0
 33 44  1  0
 33 78  1  0
 33 22  1  0
 34 25  1  0
 34 85  1  0
 34 26  1  0
 35 87  1  0
 36 47  1  0
 37 77  1  0
 37 86  2  0
 38 30  1  0
 38 45  1  0
 38 77  1  0
 39 78  1  0
 39 88  2  0
 40 23  1  0
 40 42  1  0
 40 82  1  0
 42 90  1  0
 43 48  1  0
 43 79  2  0
 43 82  1  0
 44 48  1  0
 44 91  1  0
 45 50  1  0
 45 51  1  0
 46 80  1  0
 48 55  1  0
 49 84  2  0
 49 85  1  0
 52 87  1  0
 53 54  1  0
 53 62  1  0
 54 83  2  0
 54 92  1  0
 56 49  1  0
 56 66  1  0
 56 93  1  0
 57 63  1  0
 57 64  1  0
 58 64  1  0
 58 65  1  0
 59 65  1  0
 59 89  2  0
 59 93  1  0
 60 66  1  0
 61 91  1  0
 62 67  1  0
 62 95  1  0
 63 92  1  0
 66 68  1  0
 67 92  1  0
 67 94  2  0
 95 96  1  0
M  RAD  8   2   2   3   3   4   2   6   2   8   3  10   2  11   2  12   2
M  RAD  8  13   3  14   2  15   3  16   3  17   2  18   2  19   3  20   2
M  RAD  8  21   2  22   3  23   2  24   2  25   3  27   2  28   2  29   2
M  RAD  8  31   3  33   2  34   2  35   2  36   2  38   2  40   2  41   2
M  RAD  8  42   2  44   2  45   2  46   2  47   2  48   2  50   2  51   2
M  RAD  8  52   2  53   3  55   2  56   2  57   3  58   3  60   2  61   2
M  RAD  8  62   2  63   3  64   3  65   3  66   2  68   2  69   3  71   2
M  RAD  7  73   2  77   2  82   2  85   2  90   2  93   2  96   2
M  END
$$$$
