TJL0272
     RDKit          3D

 97105  0  0  1  0  0  0  0  0999 V2000
   17.1297    1.9230    0.9639 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.3365    4.7172   -1.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2561    2.9201    0.1838 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.6912    4.2428   -3.0810 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.3949    3.8777   -0.5520 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8135    3.3319   -2.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1592    3.1373   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8110    2.4662   -3.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3432    2.1385   -0.5609 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7998   -5.1634    5.6176 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6951   -4.6929    4.3579 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9989   -6.5593    5.8480 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.4197    1.3423   -1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5850    0.2728   -2.7761 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8230   -5.5379    3.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1372   -7.4052    4.7784 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.9513    0.0127   -0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8647   -5.0739    1.8898 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0309   -6.8940    3.4870 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.4923   -0.6619   -1.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7339   -2.0581    2.5520 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5940    0.7512    2.7284 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7510    2.9323    1.5788 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4072    1.7418   -2.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8163   -0.5968   -1.1398 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2701   -4.2031    0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551   -4.8223    0.5168 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2222   -5.0305   -1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5678   -4.4252   -2.9598 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.4766   -3.1655   -3.2854 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1930   -1.9983   -1.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8094   -1.8139    0.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2795   -4.3993    3.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6022    3.4556    0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2421   -1.7753   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -2.2292   -2.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7632   -2.8126   -2.8236 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2815   -0.6137    2.6855 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.7378    1.9767    2.2930 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7248    2.9077   -1.0940 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2749   -3.3221   -0.0939 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3420   -5.0560   -0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8119   -5.0899   -0.4866 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.4034   -2.6242   -0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9314   -2.3608    2.0212 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.9690   -4.2119   -2.6632 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.5601   -4.0201    1.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9817    3.6285   -1.0870 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.3052   -4.0343   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7912   -3.7479    2.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2738   -5.4183    1.3517 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.4089    4.3751   -1.0802 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1592   -4.8055   -1.2912 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.5019   -4.6254    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6932    5.1840   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6078   -6.1823    1.3894 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.8268    7.4800    0.2615 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.2505    6.9306   -0.3033 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.8839    8.5868    0.4049 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.4070    7.8457   -0.1022 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.3945   10.0083    0.3289 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.9756   10.3220   -0.0254 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.3605   11.6955   -0.0415 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.4908    5.0880   -1.3725 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7474    4.9794   -2.8522 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9345    4.7997    0.2656 O   0  0  0  0  0  1  0  0  0  0  0  0
   12.6350    2.6955   -4.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2219    1.4342   -2.4531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1135    2.0459   -3.2731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5456   -4.4612    1.7767 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1430   -4.9816   -0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1211   -0.5224    0.6828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9015   -4.2745    4.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6945   -2.4584   -3.5436 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6298    3.4840   -0.4543 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1204   -2.3022   -0.9177 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.5034   -5.1069    0.2899 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8310    0.4712   -1.6709 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1477   -4.5636   -0.1154 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.4067   -5.1784   -2.3886 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.8165   -3.4161    2.3391 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896   -3.9241   -3.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2765   -1.3328   -2.0966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6479    3.7223    1.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9894   -2.1504    0.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -5.1607   -1.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0445   -4.2307    3.4313 F   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5224   -3.5892    0.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8809    6.1176   -0.3262 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.2849    5.0085   -2.3021 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1061    8.2951    0.0541 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.1411    9.2027   -0.3701 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0905   10.9624    0.8528 O   0  0  0  0  0  1  0  0  0  0  0  0
  -13.6225   12.9395   -0.0076 O   0  0  0  0  0  1  0  0  0  0  0  0
  -10.5017   -5.6900    2.4934 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.7096   -7.0123    2.6476 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.0333    6.3360    0.8041 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2  5  1  0
  2 64  2  0
  2 65  1  0
  4  6  1  0
  4 65  1  0
  5  3  1  0
  5  7  1  0
  5 66  1  1
  6  7  2  0
  6  8  1  0
  7  9  1  0
  8 67  2  0
  8 68  1  0
  9 13  2  0
 10 11  2  0
 10 12  1  0
 11 15  1  0
 12 16  2  0
 13 17  1  0
 13 68  1  0
 14 20  1  0
 14 68  1  0
 15 18  1  0
 15 19  2  0
 16 19  1  0
 17 20  2  0
 17 72  1  0
 20 31  1  0
 21 38  1  0
 21 81  1  0
 22 38  1  0
 22 39  1  0
 23 34  1  0
 23 39  1  0
 24 40  1  0
 24 69  2  0
 24 78  1  0
 25 35  1  0
 25 78  1  0
 26 41  1  0
 26 70  2  0
 26 79  1  0
 27 42  1  0
 27 79  1  0
 27 18  1  0
 28 43  1  0
 28 71  2  0
 28 80  1  0
 29 80  1  0
 29 82  1  0
 30 36  1  0
 30 82  1  0
 31 37  1  0
 31 44  2  0
 32 44  1  0
 32 45  1  0
 32 72  2  0
 33 73  2  0
 33 81  1  0
 33 95  1  0
 34 75  1  0
 34 84  2  0
 35 76  1  0
 35 85  2  0
 36 74  1  0
 36 83  2  0
 37 46  1  0
 37 74  1  0
 40 48  1  0
 40 75  1  0
 41 76  1  0
 42 77  1  0
 42 86  2  0
 43 77  1  0
 44 49  1  0
 45 50  2  0
 46 53  1  0
 47 51  1  0
 47 81  1  0
 47 88  2  0
 48 52  1  0
 49 53  1  0
 49 54  2  0
 50 54  1  0
 50 87  1  0
 52 55  1  0
 54 56  1  0
 55 89  1  0
 55 90  2  0
 57 59  1  0
 57 60  1  0
 57 97  1  0
 58 89  1  0
 59 61  1  0
 59 91  1  0
 60 58  1  0
 60 92  1  0
 61 62  1  0
 61 93  1  0
 62 63  1  0
 62 92  1  0
 63 94  1  0
 95 51  1  0
 95 96  1  0
M  RAD  8   1   2   3   3   4   3   9   2  10   2  11   2  12   2  14   3
M  RAD  8  16   2  18   3  19   2  21   3  22   3  23   3  25   3  27   2
M  RAD  8  29   3  30   3  37   2  38   3  39   3  40   2  41   3  43   3
M  RAD  8  45   2  46   3  48   3  51   3  52   3  53   3  56   2  57   2
M  RAD  8  58   3  59   2  60   2  61   2  62   2  63   3  66   2  74   2
M  RAD  8  75   2  76   2  77   2  78   2  79   2  80   2  89   2  91   2
M  RAD  5  93   2  94   2  95   2  96   2  97   2
M  END
$$$$
