TJL0085
     RDKit          3D

 96 99  0  0  1  0  0  0  0  0999 V2000
   -3.1505   -0.9300   -3.8630 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.6139   -0.3967   -4.2172 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.6775   -1.3275    3.4484 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.0232   -1.6201    2.7687 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.0247   -1.6713   -2.4181 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7082   -0.9931   -3.2655 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.6782   -1.5967    2.2967 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.4476   -1.6574    3.3853 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.5020   -1.5369   -2.5741 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.6485   -1.2295   -0.9890 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4015   -1.6840   -2.0514 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.7490    2.3987    2.8829 C   0  0  0  0  0  1  0  0  0  0  0  0
   11.9804    1.5852    4.6539 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.0383   -1.5959   -0.5005 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.6462   -1.7156    0.0057 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1783   -3.2244   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9339   -2.3578    1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3638   -2.0752    0.9540 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.3603   -1.9690   -0.6492 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.8208    5.7954   -0.1128 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.3179   -0.8820   -0.5418 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.6809    4.9541   -1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4368    1.5175    3.1677 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3161   -1.0358   -0.2142 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9347   -1.0937    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0501   -1.1674   -0.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6549   -1.6352    0.8088 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4244   -2.6941    0.1210 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.1981   -1.6157   -1.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2794    2.4410    1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8810    5.2924    0.6553 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1515    0.2768    0.3105 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5059   -0.3273    1.4604 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.5265    1.3026   -2.2258 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.3819   -0.8898   -0.6606 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.7394   -0.6932    1.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8472    0.6752    2.1599 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.7333    0.4490    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.0418    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718   -0.0333    1.0175 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6514   -3.6441   -3.3293 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.0955   -1.4937   -1.0341 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.2418    0.9103    1.0541 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.3799    4.1755   -0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6486    2.7992   -1.8819 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.1066   -0.0559   -1.7249 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.5357   -1.0244    0.5898 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.3957    0.9279    1.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8632   -0.4686    0.6297 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3229    0.5337    1.2819 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7022   -0.2297    2.8075 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.6016    0.7950    1.2907 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.0542   -4.8762    0.8566 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.9942    2.9933   -0.9709 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.4010    2.6128   -0.6497 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.8182    0.0580    2.3048 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.9536   -1.7743   -0.0088 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.6360    3.7499   -2.3206 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.8655    0.9384    0.2428 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.2919    3.5760    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1089   -3.2058   -0.6779 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.6562    3.2777    0.2154 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.8231    4.7735    0.6206 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.2845   -4.5645   -1.4135 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.5256    4.1431    0.8454 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.6576    5.6383    1.3262 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.0220    5.3223    1.4074 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.9473   -6.8764   -1.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6209   -4.3810   -0.7652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9853   -3.1709    2.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002   -2.0547   -0.2526 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.8929    5.1966   -2.1879 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5312   -1.2198   -1.6562 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4195    3.0514    2.1917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -2.8267   -2.0418 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0740   -1.9427    0.4068 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2212   -0.8557    2.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7674    0.9522   -0.9638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978   -2.2322   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -0.2539    1.6626 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.9868    2.9726   -0.0715 N   0  0  0  0  0  2  0  0  0  0  0  0
   16.6144    3.9402   -1.1589 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8317    0.0259   -0.5326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2421   -4.0222   -0.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7311   -1.8957   -2.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7601    1.4837   -1.1254 O   0  0  0  0  0  1  0  0  0  0  0  0
   12.5687   -0.1930    1.3975 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.7049    0.5231    1.0715 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.9582    0.4450    0.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4170    3.6260    0.3107 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9775    2.0877    1.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4220   -5.8173   -2.1952 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.0975   -6.8369   -0.0714 N   0  0  0  0  0  1  0  0  0  0  0  0
   10.3577   -7.9234   -2.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6460    6.9701    0.2267 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7213    8.2591    0.8928 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  1  0
  2  6  1  0
  4  7  1  0
  4  8  1  0
  5  9  1  0
  5 10  1  0
  7  3  1  0
  7 18  1  0
  9 73  1  0
 11  6  1  0
 11 26  1  0
 11 75  1  0
 12 23  1  0
 13 23  1  0
 14 24  2  0
 14 25  1  0
 15 25  1  0
 15 79  1  0
 16 69  2  0
 16 75  1  0
 16 79  1  0
 17 70  2  0
 17 76  1  0
 18 28  1  0
 18 76  1  0
 19 29  1  0
 20 22  1  0
 20 31  1  0
 20 95  1  0
 21 10  1  0
 21 32  1  0
 21 73  1  0
 22 72  2  0
 22 82  1  0
 24 39  1  0
 25 40  2  0
 26 71  1  0
 26 83  2  0
 27 17  1  0
 27 33  1  0
 27 71  1  0
 28 19  1  0
 28 84  1  0
 29 73  1  0
 29 85  2  0
 30 43  1  0
 30 74  2  0
 30 81  1  0
 31 44  1  0
 32 43  1  0
 32 89  1  0
 33 51  1  0
 33 52  1  0
 34 45  1  0
 34 46  1  0
 35 46  1  0
 35 47  1  0
 36 47  1  0
 36 77  2  0
 36 87  1  0
 37 23  1  0
 37 48  1  0
 37 87  1  0
 38 49  1  0
 38 78  2  0
 38 88  1  0
 39 50  2  0
 39 88  1  0
 40 50  1  0
 41 75  1  0
 42 76  1  0
 43 56  1  0
 44 82  1  0
 44 90  2  0
 45 82  1  0
 48 80  1  0
 48 91  2  0
 49 57  1  0
 49 80  1  0
 53 84  1  0
 54 55  1  0
 54 58  1  0
 54 81  1  0
 55 60  1  0
 55 86  1  0
 57 61  1  0
 59 89  1  0
 60 62  2  0
 60 63  1  0
 61 64  1  0
 62 65  1  0
 63 66  2  0
 64 92  1  0
 65 67  2  0
 66 67  1  0
 68 92  1  0
 68 93  1  0
 68 94  2  0
 95 96  1  0
M  RAD  8   1   2   2   2   3   2   4   3   5   3   6   2   7   2   8   2
M  RAD  8   9   3  10   3  11   2  12   2  13   2  14   2  15   3  18   2
M  RAD  8  19   3  20   2  21   2  23   2  24   2  27   2  28   2  31   3
M  RAD  8  32   2  33   2  34   3  35   3  37   2  40   2  41   2  42   2
M  RAD  8  43   2  45   3  46   3  47   3  49   2  50   2  51   2  52   2
M  RAD  8  53   2  54   2  55   2  56   2  57   3  58   2  59   2  61   3
M  RAD  8  62   2  63   2  64   3  65   2  66   2  67   2  71   2  80   2
M  RAD  7  81   2  86   2  87   2  88   2  92   2  93   3  96   2
M  END
$$$$
