TJL0170
     RDKit          3D

102111  0  0  1  0  0  0  0  0999 V2000
  -17.8157    3.2342    3.4799 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.4596    2.9307    2.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2296   -1.6363    3.2964 C   0  0  0  0  0  1  0  0  0  0  0  0
  -18.5700    2.1675    3.9668 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.2584   -0.1673   -0.2986 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.5966    1.1478    2.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2111   -0.5922    2.1073 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0067    0.9132    2.6093 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5273   -1.7779    0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6411    0.9355    0.6987 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.9063   -1.4494   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6244    0.8427    2.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2810    0.5418    2.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8129    0.5758    1.9371 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.6602   -1.5022   -0.4726 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.3106   -0.2225    0.9986 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.9116   -0.1844    0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3268   -0.8391   -1.8787 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.1631   -0.5988    0.3032 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7333   -0.4666   -0.0041 C   0  0  0  0  0  2  0  0  0  0  0  0
   19.0913   -2.3553    0.2794 N   0  0  0  0  0  2  0  0  0  0  0  0
   18.2929   -0.6696   -1.2339 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5546   -1.8627   -1.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0701   -1.6590   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2092    1.2181   -2.6403 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.2500    0.1326   -1.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9015    1.6357   -2.6968 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8048   -0.4513    0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7362   -0.5794   -2.3102 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0110   -0.7279   -3.5423 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.7426   -1.8768    0.1329 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8535   -2.3280   -3.7211 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.9429   -0.1066   -1.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3992   -0.6717   -0.9164 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8620   -0.1947   -3.5085 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2215    0.3987   -3.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3168   -0.6151   -3.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6748   -1.1185   -0.3320 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2535   -2.4746   -4.5506 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2517   -1.7484   -3.6868 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9650    0.6113   -3.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129    1.6307   -3.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1954    0.9715    1.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1362   -2.0941   -5.2656 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.7331    1.1084   -1.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3539   -1.7583    1.4775 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.2566   -1.8028    2.3499 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1024    1.7586   -3.2466 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.0943    0.5581    0.2082 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3100    0.7951   -3.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8743    0.2505   -0.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2700   -0.5820   -5.4335 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6290    2.2509    1.9974 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3674    0.0242   -4.8888 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.2770   -0.5591    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2780   -0.6960    1.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0817   -0.8557    3.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724    0.7881    3.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4323    0.2815    4.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6096   -1.5430   -0.3783 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.1666    0.2174    2.5819 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.1023    0.1276    3.4672 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.8486   -1.7066   -2.4964 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.1590    3.3171    3.6052 C   0  0  0  0  0  1  0  0  0  0  0  0
  -17.0441    3.8190    1.3895 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0365   -2.9389    0.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3675    0.9041    2.8954 N   0  0  0  0  0  2  0  0  0  0  0  0
  -15.8898   -2.0237   -0.1835 N   0  0  0  0  0  2  0  0  0  0  0  0
  -17.8205    1.6208    1.8475 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1774   -0.6108    1.1450 N   0  0  0  0  0  2  0  0  0  0  0  0
  -19.2519    0.1013    2.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7136   -1.9698   -1.6165 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3402    1.8464    2.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0231   -2.8977   -0.9015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6722   -0.6417   -0.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175   -1.2687    1.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3193   -2.6657   -4.8264 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.0148   -1.8108   -2.7313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0148    0.3050   -4.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6435   -1.7562   -2.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1143    0.8613   -1.8536 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4368    0.7183    0.6201 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.7723    0.0696    2.5829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2660   -0.2166   -4.0731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243    2.6667   -3.3646 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9748   -0.9038    4.1525 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.3110    2.1717   -2.1107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4937    1.9409   -4.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4680    2.1136    3.0517 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5373   -1.0320   -1.2302 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621    0.8702    5.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3455    3.9673   -3.1781 C   0  0  0  0  0  1  0  0  0  0  0  0
  -19.6595    1.9997    5.2684 S   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3317    3.6690    5.4409 C   0  0  0  0  0  1  0  0  0  0  0  0
   20.2172   -1.5614    1.3529 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.5999   -1.9183    0.8368 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8358   -1.9915    2.7604 O   0  0  0  0  0  1  0  0  0  0  0  0
   20.0160    0.0659    1.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9023    0.6051    1.7097 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.5351    1.1649    2.1540 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.3475    1.6237    2.5360 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9336    2.6320    1.6326 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  2 65  2  0
  2 69  1  0
  4  6  1  0
  4 93  1  0
  5 10  1  0
  5 11  1  0
  6 69  1  0
  6 71  2  0
  7  3  1  0
  7 12  1  0
  7 70  1  0
  8 13  2  0
  8 14  1  0
  9 15  1  0
  9 66  2  0
  9 70  1  0
 10 69  1  0
 11 68  1  0
 11 72  2  0
 12 67  1  0
 12 73  2  0
 13 16  1  0
 13 67  1  0
 14 17  2  0
 15 18  1  0
 15 68  1  0
 16 19  2  0
 17 19  1  0
 17 20  1  0
 20 75  1  0
 21 24  1  0
 21 95  1  0
 22 24  2  0
 22 26  1  0
 23 74  2  0
 23 75  1  0
 23 78  1  0
 24 31  1  0
 25 26  1  0
 25 27  2  0
 26 33  2  0
 27 81  1  0
 28 34  1  0
 28 76  2  0
 28 82  1  0
 29 34  1  0
 29 35  1  0
 30 36  2  0
 30 37  1  0
 31 38  2  0
 32 40  1  0
 32 77  1  0
 32 78  1  0
 33 38  1  0
 33 81  1  0
 35 79  1  0
 36 42  1  0
 36 79  1  0
 37 41  2  0
 37 78  1  0
 39 40  1  0
 39 44  2  0
 40 80  1  1
 40 84  1  0
 41 48  1  0
 41 50  1  0
 42 48  2  0
 42 85  1  0
 43 53  2  0
 43 82  1  0
 43 83  1  0
 44 52  1  0
 45 51  1  0
 45 81  1  0
 45 87  2  0
 46 47  2  0
 46 56  1  0
 47 57  1  0
 49 51  2  0
 49 55  1  0
 50 84  1  0
 50 88  2  0
 51 90  1  0
 52 54  2  0
 53 89  1  0
 54 84  1  0
 55 56  1  0
 55 60  2  0
 56 61  2  0
 57 62  2  0
 57 86  1  0
 58 59  1  0
 58 83  2  0
 58 89  1  0
 59 86  1  0
 59 91  2  0
 60 90  1  0
 61 62  1  0
 63 90  1  0
 64 89  1  0
 85 92  1  0
 93 94  1  0
 95 96  2  0
 95 97  1  0
 95 98  1  0
 98 99  1  0
 99100  1  0
100101  1  0
101102  1  0
M  RAD  8   1   3   3   2   4   2   5   3   7   2   8   2  10   3  14   2
M  RAD  8  15   2  16   2  18   2  19   2  20   3  21   2  22   2  25   2
M  RAD  8  27   2  29   3  30   2  31   2  32   2  34   3  35   3  38   2
M  RAD  8  39   2  44   2  46   2  47   2  48   2  49   2  52   2  53   2
M  RAD  8  54   2  60   2  61   2  62   2  63   2  64   2  67   2  68   2
M  RAD  8  70   2  77   2  82   2  86   2  92   2  94   2  97   2  99   3
M  RAD  2 100   3 102   2
M  END
$$$$
