TJL0395
     RDKit          3D

120127  0  0  1  0  0  0  0  0999 V2000
    5.1599   -7.0237    1.1690 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9981   -6.1912    0.4378 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9929   -7.2613    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6635   -5.5994   -0.7870 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8810   -7.7848    1.0578 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5678   -6.6925   -0.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4359   -5.8094   -1.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5372   -7.1078   -0.1856 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7913   -6.7413    0.3385 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5292   -7.3534    0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1710   -4.9518   -2.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8802   -3.5068    1.6982 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.2699   -2.3903   -0.1752 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.8674    0.9003    5.2075 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8756   -1.3469    4.9639 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3520   -3.5247    5.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348   -5.3438    3.6479 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9350   -6.5609    1.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3543   -7.2743    2.0609 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4375   -0.9145   -5.3443 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5967    4.4752    4.6058 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4363    2.1834    4.4449 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.1845   -2.2250   -4.0758 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.2303   -0.4413   -5.4893 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2769    1.0195   -0.3838 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.9384   -2.2824    0.6970 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1656    1.9559    4.6418 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2265   -0.1816    4.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8605   -6.8737    2.5666 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3104   -0.5328   -3.8851 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0940   -5.9318    2.3497 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2309    4.3237   -0.7792 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9382    4.8804   -1.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5918    3.5998    3.7490 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7626   -0.7884   -4.1739 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7688   -0.2201   -6.9593 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9189   -0.6754   -5.2505 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1002   -0.1834   -3.1877 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0888    0.0064   -0.7907 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8763   -2.7511   -0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1013   -1.3274    0.3466 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.0428    2.7703    2.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400    1.9836    3.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037   -0.1977    3.0770 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1044   -5.0568    4.2820 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4945   -6.1202    2.0520 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.2853    3.9208    0.5622 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3975    3.8954    2.3517 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6898    5.9503    0.9123 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1388    6.5343    1.9094 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6546    5.4997    2.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8826    1.0508   -1.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919    0.1551   -3.0594 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1662    0.3213   -3.2424 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1634    0.4322   -1.8737 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3693   -1.4815   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8905   -2.9723   -1.3670 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2351    0.0494    0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2519    2.3404    0.6037 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2484    0.8768    2.5198 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6779   -5.6514    2.9708 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9942    4.2995    1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9902    5.3492    0.3651 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3220    6.3896    1.4676 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5325    6.2186    2.4185 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.2937    3.2122    1.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0440    1.8523   -0.5460 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.4159    0.8428   -2.7248 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7568   -0.0617   -4.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3385    3.3851   -0.3947 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6449   -4.0322   -2.3154 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0335   -5.6316   -3.1059 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3515    1.2312   -0.4905 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9779    5.8039    0.7689 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.1184    0.7010   -3.3696 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.2687    4.5494   -1.4396 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3476   -5.2277   -3.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7599   -6.9148   -3.5845 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2600    2.6610   -2.6323 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.6381    1.9125   -1.1413 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.6654   -0.2567   -0.0213 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.8999    2.8053   -3.8999 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.1056    5.6882   -2.4315 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8075   -7.7756   -3.9401 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3956   -6.0648   -3.4066 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1237   -7.3324   -3.8841 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4657    7.0710   -4.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463   -7.4281    0.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -7.1250   -1.0203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749   -3.2940    5.4840 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6600   -3.8234   -2.6118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4197   -5.4519   -3.7508 N   0  0  0  0  0  1  0  0  0  0  0  0
   -5.6940    5.3573   -2.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8112   -3.5367    0.7031 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    3.3117    2.3736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8058   -4.7287    4.6226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3300   -2.5578    5.2778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1069   -2.3639   -1.4281 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1832    1.0780    0.1013 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.7303    5.4684    4.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710    0.7172   -0.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6416    2.8899    0.2607 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2019    4.8071    0.1187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.2729   -4.1928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841   -1.5423   -0.3248 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1976    3.0391    2.7473 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.5623    4.9734    2.0113 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8975    0.6547   -2.4710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754    1.7283   -1.7119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7620   -1.7737    0.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7923    0.0867    1.9807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7771    4.3073    2.3948 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4680    2.9956    1.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340    2.2512   -2.6450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076   -0.1781   -5.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8462    6.7480   -3.1349 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.5755    7.1197   -5.3573 N   0  0  0  0  0  1  0  0  0  0  0  0
   -0.6275    7.4192   -4.8165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6675    3.7542    1.5642 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0434    5.5053    1.7918 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  3  6  1  0
  4  7  2  0
  5 88  1  0
  6  7  1  0
  6 89  2  0
  7 11  1  0
  8  9  2  0
  8 10  1  0
  9 18  1  0
 10 19  2  0
 10 88  1  0
 11 91  2  0
 11 92  1  0
 12 26  1  0
 13 26  1  0
 14 27  2  0
 14 28  1  0
 15 28  1  0
 15 97  1  0
 16 90  2  0
 16 96  1  0
 16 97  1  0
 17 31  1  0
 17 96  1  0
 18 29  2  0
 19 29  1  0
 20 30  1  0
 20 37  1  0
 21 34  1  0
 22 34  1  0
 24 35  1  0
 24 36  1  0
 27 43  1  0
 28 44  2  0
 31 18  1  0
 31 46  1  0
 32 33  1  0
 32 47  1  0
 33 93  2  0
 33103  1  0
 35 23  1  0
 35 53  1  0
 37104  1  0
 38 30  1  0
 38 55  1  0
 38104  1  0
 39 25  1  0
 39 55  1  0
 39 56  1  0
 40 57  1  0
 40 94  2  0
 40105  1  0
 41 58  1  0
 41105  1  0
 41 26  1  0
 42 59  1  0
 42 95  2  0
 42106  1  0
 43 60  2  0
 43106  1  0
 44 60  1  0
 45 61  1  0
 45 96  1  0
 46 61  1  0
 47 62  1  0
 47119  1  0
 48 66  1  0
 48107  1  0
 48 34  1  0
 49 63  1  0
 49 64  1  0
 50 64  1  0
 50 65  1  0
 51 65  1  0
 51100  2  0
 51107  1  0
 52101  2  0
 52108  1  0
 53 68  1  0
 53108  1  0
 54 69  1  0
 55109  1  0
 56 98  1  0
 56110  2  0
 57 71  1  0
 57 98  1  0
 58 99  1  0
 58111  2  0
 59 70  1  0
 59 99  1  0
 62103  1  0
 62112  2  0
 63103  1  0
 66102  1  0
 66113  2  0
 67 52  1  0
 67 73  1  0
 67102  1  0
 68 54  1  0
 68114  1  0
 69104  1  0
 69115  2  0
 70 76  1  0
 71 77  1  0
 72 77  2  0
 72 78  1  0
 73 80  1  0
 73 81  1  0
 74107  1  0
 75108  1  0
 76 83  1  0
 77 85  1  0
 78 84  2  0
 79109  1  0
 82114  1  0
 83116  1  0
 84 86  1  0
 85 86  2  0
 87116  1  0
 87117  1  0
 87118  2  0
 88 89  1  0
119120  1  0
M  RAD  8   1   2   2   2   4   2   5   2   8   2   9   2  12   2  13   2
M  RAD  8  14   2  15   3  17   3  19   2  20   3  21   2  22   2  23   2
M  RAD  8  24   3  25   2  26   2  27   2  29   2  30   3  31   2  32   3
M  RAD  8  34   2  35   2  36   2  37   3  38   2  39   2  41   2  44   2
M  RAD  8  45   3  46   3  47   2  48   2  49   3  50   3  53   2  54   3
M  RAD  8  55   2  57   2  59   2  60   2  61   3  63   3  64   3  65   3
M  RAD  8  67   2  68   2  70   3  71   3  72   2  73   2  74   2  75   2
M  RAD  8  76   3  78   2  79   2  80   2  81   2  82   2  83   3  84   2
M  RAD  8  85   2  86   2  92   3  98   2  99   2 102   2 105   2 106   2
M  RAD  3 116   2 117   3 120   2
M  END
$$$$
