TJL0222
     RDKit          3D

115125  0  0  1  0  0  0  0  0999 V2000
    0.1784    1.0272   -0.5372 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7141    2.7587    1.0550 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1657    1.1072   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    2.8879    1.4376 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1384    0.3321   -0.8493 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5678    2.0763    0.7728 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.3093    1.4012    2.3877 C   0  0  0  0  0  2  0  0  0  0  0  0
  -19.4293    1.5939    1.9065 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2524    0.0140    2.0393 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.6149    1.4304    2.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9086    1.6436    2.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6986   -8.8825   -0.9895 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2964   -5.1769   -0.0071 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.1494    1.8193    1.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3065   -1.2628   -1.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7714  -11.1363   -1.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1150   -0.7471   -3.3328 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1396   -0.2744   -1.6287 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.4865    0.8042    1.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301   -1.1587   -3.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2557   -0.8624    2.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0867    1.3386    2.7617 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9959    0.8191    1.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7871    1.5480    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4340   -7.4726   -0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710   -4.0335   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3827   -6.3638    0.1395 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.6864   -1.7079   -0.5223 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.4146    1.7149    1.9699 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8038   -0.4575   -3.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5186   -0.4115   -0.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5504   -0.5430   -3.4603 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4851   -1.1705    1.2209 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.9270  -10.7474   -0.3126 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.1656    2.1154    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1973    1.2024    0.9100 C   0  0  0  0  0  2  0  0  0  0  0  0
  -19.5185    2.2572   -0.6612 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.1103   -0.2398    2.0394 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.6728    2.2410    0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5647    1.4064    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5523   -0.6398    0.0421 C   0  0  0  0  0  2  0  0  0  0  0  0
  -19.2819    1.1529   -3.4682 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.5944   -1.5783    1.8489 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.2160  -10.7447    0.3279 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.8331    2.2370   -0.3471 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.5946    0.4039    0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4034    1.7284   -2.0472 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.4762    0.3422    0.9576 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.3406    1.7394   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3338  -11.7020   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3167   -2.0773    0.4486 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.3664   -0.1683   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    1.0113    1.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6429   -1.4028   -0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0436    0.4145   -1.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5039   -1.9348   -2.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8359   -0.1182   -2.9332 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.5415    2.2714    2.0315 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.2838   -3.4519   -2.2364 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.0488   -1.2507   -3.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9674    2.6475    1.9738 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.9881    4.3483    2.8334 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.6168    4.3416    2.3454 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.7069    5.8400   -2.2075 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.6191    2.9451    0.6602 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.5502    4.4506   -2.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4330    4.4664    3.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4165    4.2082    0.8905 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.8686    7.0957   -1.5113 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.1359    6.9473    0.4075 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.2843    6.2644    1.6791 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.0940    7.8832   -1.7605 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.0659    7.6733   -0.6051 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.8926    2.6111    2.7069 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0294    0.9877    3.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3993   -0.8863   -0.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6358  -12.3569   -1.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0076   -2.3073   -3.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4356   -1.8069    3.4568 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4298   -7.4234    0.3278 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.6744   -2.8578    0.2922 N   0  0  0  0  0  2  0  0  0  0  0  0
  -20.6529    1.3180    1.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986    0.0578   -3.2338 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6729   -1.5073   -0.2080 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.4616    0.4782    2.9725 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.9047  -10.2131   -1.6351 N   0  0  0  0  0  2  0  0  0  0  0  0
  -15.7028    2.0386    1.6189 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4428   -1.0049   -2.5581 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0402   -0.5405   -2.9755 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9474    0.3881    3.0182 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.2560    1.8822    2.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.8409    1.2394   -0.4892 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0884   -6.5566   -1.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3019   -4.3757   -0.8535 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1664  -11.1307   -1.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -0.5731   -5.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4077    0.4139   -1.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.8217    3.5712   -0.7003 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.0598    1.2797   -1.5293 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2492  -12.9522    0.0588 O   0  0  0  0  0  1  0  0  0  0  0  0
    8.3340    0.5626    3.1433 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0888    2.0797    1.5701 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.5770    3.5680    2.9489 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6429    4.1423   -3.6974 N   0  0  0  0  0  1  0  0  0  0  0  0
  -12.0897   -1.8042   -4.3299 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8127    7.0439   -0.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3459    5.4177    2.9199 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.3165    1.9774    0.2074 O   0  0  0  0  0  1  0  0  0  0  0  0
   16.7998    3.6759    4.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9574    5.2396    0.2825 O   0  0  0  0  0  1  0  0  0  0  0  0
   16.3156    3.5622   -2.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2373    8.5430   -2.8267 O   0  0  0  0  0  1  0  0  0  0  0  0
   18.8568    8.5979   -0.1514 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.2476  -10.5122    1.9105 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.1154    1.8989    0.0562 C   0  0  0  0  0  3  0  0  0  0  0  0
  1  3  2  0
  1115  1  0
  2  4  1  0
  3  5  1  0
  3  6  1  0
  4  6  2  0
  7 19  1  0
  7 23  1  0
  8 14  1  0
  8 82  1  0
  9 19  1  0
  9 23  1  0
 10 19  1  0
 10 74  2  0
 10 85  1  0
 11 14  1  0
 11 75  2  0
 11 87  1  0
 12 25  1  0
 12 86  1  0
 13 26  1  0
 13 27  1  0
 14 35  2  0
 15 28  1  0
 15 76  2  0
 15 88  1  0
 16 34  1  0
 16 77  2  0
 16 86  1  0
 17 30  1  0
 17 88  1  0
 18  5  1  0
 18 31  1  0
 18 89  1  0
 19 36  1  0
 20 32  1  0
 20 78  2  0
 20 89  1  0
 21 33  1  0
 21 79  2  0
 21 90  1  0
 22 90  1  0
 22 91  1  0
 23 36  1  0
 23 91  1  0
 24 37  1  0
 24 82  1  0
 24 92  2  0
 25 80  1  0
 25 93  2  0
 26 81  1  0
 26 94  2  0
 27 80  1  0
 28 41  1  0
 28 81  1  0
 29 40  1  0
 29 87  1  0
 30 83  1  0
 30 96  2  0
 31 84  1  0
 31 97  2  0
 32 83  1  0
 33 84  1  0
 34 44  1  0
 35 37  1  0
 35 45  1  0
 37 98  1  6
 38 43  1  0
 38 46  1  0
 38 85  1  0
 39 45  2  0
 39 49  1  0
 39 87  1  0
 40 46  2  0
 40 49  1  0
 41 48  1  0
 42 47  1  0
 43 51  1  0
 44 50  1  0
 44114  1  0
 46 52  1  0
 47 37  1  0
 48 53  1  0
 49 99  2  0
 50 95  2  0
 50100  1  0
 51 54  1  0
 52 54  2  0
 52 55  1  0
 53101  2  0
 53102  1  0
 54 56  1  0
 55 57  2  0
 55 99  1  0
 56 59  1  0
 56 60  2  0
 57 60  1  0
 58102  1  0
 60105  1  0
 61 58  1  0
 61 65  1  0
 61103  1  0
 62 67  1  0
 63 62  1  0
 63 68  1  0
 63103  1  0
 64 66  1  0
 65 68  1  0
 65108  1  0
 66104  1  0
 66111  2  0
 67107  1  0
 67109  2  0
 68110  1  0
 69 64  1  0
 69 72  1  0
 69106  1  0
 70 71  1  0
 70 73  1  0
 70106  1  0
 71107  1  0
 72 73  1  0
 72112  1  0
 73113  1  0
115  2  2  0
M  RAD  8   1   2   2   2   4   2   5   3   6   2   7   3   8   3   9   3
M  RAD  8  12   3  13   3  17   3  18   2  22   3  27   3  28   2  29   3
M  RAD  8  32   3  33   3  34   3  36   3  38   2  41   3  42   2  43   3
M  RAD  8  44   2  45   2  47   3  48   3  51   3  57   2  58   3  59   2
M  RAD  8  61   2  62   3  63   2  64   3  65   2  68   2  69   2  70   2
M  RAD  8  71   3  72   2  73   2  80   2  81   2  83   2  84   2  85   2
M  RAD  8  86   2  88   2  89   2  90   2  98   2 100   2 102   2 104   3
M  RAD  7 107   2 108   2 110   2 112   2 113   2 114   2 115   2
M  END
$$$$
