TJL0231
     RDKit          3D

 94100  0  0  1  0  0  0  0  0999 V2000
  -15.2596   -0.0778   -2.5738 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.6578    2.5981   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1900    1.2617   -1.7775 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.4473    3.0989    1.5529 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.1618    2.4842   -0.9594 C   0  0  2  0  0  0  0  0  0  0  0  0
  -14.0997    2.8228    1.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9362    2.4907   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9680    2.7664    2.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5638    2.1442   -0.3385 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.5233    2.0332    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5899    2.0036    2.3868 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4955   -0.9136    3.1249 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.8013    0.9304    3.4614 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.2146    1.3960    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    0.0794    2.3076 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.6708    1.3209    1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3104    4.4903   -0.1344 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.6797    0.8766   -0.5881 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2162   -1.2141    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2822    0.0909    0.8395 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5640    0.6527    0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7011    1.7526    2.4082 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6470    1.9182    3.4696 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.4636    6.5860   -0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6062    0.4628    1.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6362    0.0170   -0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9840    3.0395    0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1479    1.5448   -0.6197 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1851    0.6866   -0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6145   -1.0535   -0.6540 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3175    1.2050    0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904    0.2268    0.2475 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.0889    2.1498    3.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1092    0.1706    3.1670 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1026   -0.2902    0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1203   -0.6523   -1.7446 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.3790    8.0328   -0.6314 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1637   -2.2828   -1.2105 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7739   -1.1050   -0.2862 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4335   -1.0814    3.3195 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.2054   -1.4337    0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2790   -1.7535   -1.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0795    9.4500   -0.5860 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7728   -3.7143   -1.8334 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0643   -2.4511   -1.1878 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9041   -1.8374    2.1080 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.8660   -2.1857   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8315   10.4093    0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0209   -4.9578   -2.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5334   -3.6817   -2.0397 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3653   -3.6471   -0.2545 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.5410   -4.8220   -3.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4168   -5.3263   -2.2774 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.7979   -5.4812   -1.7967 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.6577   -6.9883   -0.2218 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.0575   -8.2343    0.2393 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.0324   -6.1860   -2.3919 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.6074   -7.0397   -1.3116 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.3129   -9.4332    0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7130    2.2813   -0.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6698    3.0548    1.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1217    3.5516   -1.7570 O   0  0  0  0  0  1  0  0  0  0  0  0
  -13.1996    3.1105    3.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7214    2.3597    1.7481 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027   -2.2936    0.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4926   -0.0215    0.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4413    6.1280   -1.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7330    0.7835   -0.8381 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    2.4304   -0.9642 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.5318   -0.1992   -0.0496 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.0485    1.1424    0.5111 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7905    1.1139    4.0676 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.4677    5.9895   -0.0638 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.3188   -0.2311   -0.0823 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7560    1.8348    1.2065 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3457    1.6059    3.5935 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4954    2.5309    1.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7226    1.6012   -1.5694 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    2.2790    0.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5483    3.2932    3.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1983   11.4295    0.8444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0636   -2.4698   -2.7577 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563   -5.6662   -4.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0490   10.1469    0.6922 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.9525   -5.8385   -2.1964 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.1587   -5.2324   -3.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959   -4.9023   -2.6401 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1305   -3.6991   -4.8039 N   0  0  0  0  0  1  0  0  0  0  0  0
   10.7748   -5.9058   -0.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8504   -9.3549    0.4512 N   0  0  0  0  0  1  0  0  0  0  0  0
   11.9804   -6.7126   -3.5531 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.8339   -7.0550   -0.9573 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.8064  -10.5705    0.4524 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5818   10.1368   -1.9550 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2  5  1  0
  2 60  2  0
  2 61  1  0
  4  6  1  0
  4 61  1  0
  5  3  1  0
  5  7  1  0
  5 62  1  6
  6  7  2  0
  6  8  1  0
  7  9  1  0
  8 63  2  0
  8 64  1  0
  9 10  2  0
 10 14  1  0
 10 64  1  0
 11 16  1  0
 11 64  1  0
 12 15  1  0
 13 15  1  0
 14 16  2  0
 14 68  1  0
 16 25  1  0
 17 27  1  0
 17 73  1  0
 18 28  1  0
 18 29  1  0
 19 30  1  0
 19 65  2  0
 19 74  1  0
 20 31  1  0
 20 74  1  0
 20 15  1  0
 21 32  1  0
 21 66  2  0
 21 75  1  0
 22 75  1  0
 22 76  1  0
 23 33  1  0
 23 76  1  0
 24 37  1  0
 24 67  2  0
 24 73  1  0
 25 34  1  0
 25 35  2  0
 26 35  1  0
 26 36  1  0
 26 68  2  0
 27 69  1  0
 27 77  2  0
 28 69  1  0
 29 70  1  0
 29 78  2  0
 30 38  1  0
 30 70  1  0
 31 71  1  0
 31 79  2  0
 32 39  1  0
 32 71  1  0
 33 72  1  0
 33 80  2  0
 34 40  1  0
 34 72  1  0
 35 41  1  0
 36 42  2  0
 37 43  1  0
 38 44  1  0
 39 45  1  0
 40 46  1  0
 41 46  1  0
 41 47  2  0
 42 47  1  0
 42 82  1  0
 43 48  1  0
 43 94  1  0
 44 49  1  0
 45 50  1  0
 47 51  1  0
 48 81  2  0
 48 84  1  0
 49 85  1  0
 49 86  2  0
 50 87  1  0
 52 83  2  0
 52 87  1  0
 52 88  1  0
 53 85  1  0
 54 53  1  0
 54 57  1  0
 54 89  1  0
 55 56  1  0
 55 58  1  0
 55 89  1  0
 56 59  1  0
 57 58  1  0
 57 91  1  0
 58 92  1  0
 59 90  1  0
 59 93  2  0
M  RAD  8   1   2   3   3   4   3   9   2  11   3  12   2  13   2  15   2
M  RAD  8  17   3  18   3  20   2  22   3  23   3  28   3  30   2  32   2
M  RAD  8  34   2  36   2  37   3  38   3  39   3  40   3  43   2  44   3
M  RAD  8  45   3  46   3  50   3  51   2  53   3  54   2  55   2  56   3
M  RAD  8  57   2  58   2  62   2  69   2  70   2  71   2  72   2  73   2
M  RAD  8  74   2  75   2  84   2  85   2  87   2  88   3  90   3  91   2
M  RAD  2  92   2  94   2
M  END
$$$$
