TJL0119
     RDKit          3D

 99107  0  0  1  0  0  0  0  0999 V2000
  -11.6373   -4.6653   -1.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2439    2.0020   -0.1105 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.5846   -1.8431   -1.5753 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.0551    4.0566    0.8779 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.1177   -3.2977   -1.8560 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.9988   -0.3842   -1.2594 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.7327    1.0787   -1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5937    2.4085   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7625    4.3104   -0.4130 C   0  0  2  0  0  0  0  0  0  0  0  0
  -19.8356    5.3336   -0.4692 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.8474   -4.4531   -0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5740    0.5968   -2.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4491    1.7740   -0.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3642    4.4517   -1.1654 C   0  0  0  0  0  2  0  0  0  0  0  0
   21.2344    3.4894   -2.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9327    0.9006   -1.9515 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.9325    1.8596   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1547    4.7923   -0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4675   -3.6243    0.4319 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6467    0.8898   -1.8303 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.3910   -4.1081    1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9950   -4.2430    0.3389 C   0  0  0  0  0  3  0  0  0  0  0  0
  -22.1579    5.4792   -1.5821 C   0  0  0  0  0  2  0  0  0  0  0  0
   21.7423    3.7545   -0.0081 C   0  0  0  0  0  3  0  0  0  0  0  0
  -20.8339    3.4276   -0.7919 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8076   -3.5344    0.1964 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8828   -0.1421    0.1880 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.9563   -2.2660    1.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8934   -3.2829    1.5588 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.6662   -0.2639   -2.9487 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.9220    0.3401   -2.0968 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.5682    1.8215   -1.3025 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.2154    0.4247    2.1203 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.7850    0.1641   -0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111    0.8692   -2.1687 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9594   -3.9033    1.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1872   -4.1330    1.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7883   -1.2816    1.0613 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.0369   -2.4440    2.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8652    2.3322   -0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0539    1.0764   -2.3530 C   0  0  0  0  0  2  0  0  0  0  0  0
   19.9669   -1.5342   -3.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0481   -0.7157   -1.9931 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.0583    2.4118    0.0506 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.9493    1.7099    1.7222 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.7707   -0.9516    2.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7535   -0.9400    1.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204   -1.6204   -0.3612 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5172   -2.4765    1.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5143   -0.2953   -0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3404   -1.6642    0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8523   -2.4912    2.5193 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.6245   -2.8809    2.2004 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.0961   -0.5660   -0.0234 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4082   -2.1835    2.0908 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4763   -1.4123    1.6334 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3627   -0.5591   -0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3432   -1.1054    0.8729 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2005   -0.0043   -1.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128   -0.6295    1.6160 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.6252    1.2991    1.4295 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.4109   -5.4799   -2.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9416    3.2524    0.9536 N   0  0  0  0  0  2  0  0  0  0  0  0
  -18.6632    5.0099    2.2924 S   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3645    0.8781   -1.0089 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3624   -4.9238   -1.6638 N   0  0  0  0  0  2  0  0  0  0  0  0
   21.4465    3.7964   -3.3958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5694   -4.7643   -0.0463 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993   -2.5068    3.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5186    3.0634   -0.7718 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0539   -0.1735   -3.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1668   -1.3494    1.0795 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.8468   -1.1685    2.1065 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1345   -4.5737    1.2457 N   0  0  0  0  0  2  0  0  0  0  0  0
   19.0854   -1.7751   -2.0936 N   0  0  0  0  0  2  0  0  0  0  0  0
   21.6322    4.1524    1.6424 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6439    2.7506    1.2701 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2582    2.2317   -1.6717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5366   -3.4185    1.4125 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5835    0.8832   -1.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1194   -2.9363    1.0638 N   0  0  0  0  0  2  0  0  0  0  0  0
   16.0126    1.2631   -2.4389 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076    0.1795   -1.1953 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2300   -3.9271    3.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5496   -2.9778    3.5201 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5586    1.4967    0.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356   -2.3043   -3.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2214   -1.6214    3.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232   -0.0002    0.9661 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797    0.3623   -2.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8207   -0.1911   -4.2479 C   0  0  0  0  0  1  0  0  0  0  0  0
   21.1519    5.8876    1.5004 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.2293   -4.5224    0.8087 C   0  0  0  0  0  1  0  0  0  0  0  0
  -18.0293    4.5271   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4916    6.4124    1.9090 O   0  0  0  0  0  1  0  0  0  0  0  0
  -20.0776    4.5963    2.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8694    4.6245    3.4695 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2952   -0.9332   -1.5762 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.9246    1.0256    0.0598 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0
  1 62  2  0
  1 66  1  0
  2  7  2  0
  2  8  1  0
  3  5  1  0
  3  6  1  0
  4  9  1  0
  4 63  1  0
  4 64  1  0
  6 65  1  0
  7 12  1  0
  7 65  1  0
  8 13  2  0
  8 63  1  0
  9 10  1  0
  9 70  1  0
  9 94  1  6
 10 18  1  0
 11 19  2  0
 11 66  1  0
 11 68  1  0
 12 16  2  0
 12 71  1  0
 13 16  1  0
 13 17  1  0
 14 15  1  0
 14 24  1  0
 15 67  2  0
 15 78  1  0
 17 70  1  0
 17 80  2  0
 18 23  2  0
 18 25  1  0
 19 79  1  0
 20 34  1  0
 20 35  2  0
 21 37  1  0
 21 68  2  0
 21 79  1  0
 22 26  2  0
 22 36  1  0
 24 40  1  0
 24 76  1  0
 25 70  1  0
 26 49  1  0
 27 34  2  0
 27 47  1  0
 28 69  2  0
 28 81  1  0
 29 39  1  0
 29 81  1  0
 29 93  1  0
 30 41  1  0
 30 42  1  0
 31 43  1  0
 31 82  1  0
 32 44  1  0
 32 82  1  0
 33 45  1  0
 33 46  1  0
 34 50  1  0
 35 83  1  0
 36 53  2  0
 36 74  1  0
 37 74  1  0
 37 84  2  0
 38 28  1  0
 38 54  1  0
 38 72  1  0
 39 73  1  0
 39 85  2  0
 40 78  1  0
 40 86  2  0
 41 78  1  0
 42 75  1  0
 42 87  2  0
 43 75  1  0
 44 77  1  0
 45 77  1  0
 46 72  1  0
 46 88  2  0
 47 56  2  0
 47 73  1  0
 48 51  1  0
 48 57  2  0
 49 51  1  0
 49 55  2  0
 50 58  2  0
 50 83  1  0
 51 60  2  0
 52 79  1  0
 53 55  1  0
 54 98  1  0
 54 99  1  0
 56 58  1  0
 57 59  1  0
 57 89  1  0
 59 83  1  0
 59 90  2  0
 60 89  1  0
 61 89  1  0
 64 95  1  0
 64 96  2  0
 64 97  2  0
 71 91  1  0
 76 92  1  0
M  RAD  8   2   2   3   3   4   2   5   3   6   3  10   3  14   3  16   2
M  RAD  8  19   2  20   2  22   2  23   3  24   2  25   3  26   2  27   2
M  RAD  8  29   2  30   3  31   3  32   3  33   3  35   2  38   2  41   3
M  RAD  8  43   3  44   3  45   3  48   2  52   2  53   2  54   2  55   2
M  RAD  8  56   2  58   2  60   2  61   2  63   2  66   2  72   2  73   2
M  RAD  8  74   2  75   2  81   2  91   2  92   2  93   2  95   2  98   2
M  RAD  1  99   2
M  END
$$$$
