TJL0114
     RDKit          3D

134142  0  0  1  0  0  0  0  0999 V2000
    1.7748   -7.5310    1.1074 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0389   -9.7830    4.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7663    0.3117   10.4616 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9792   -8.0668    1.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9383    0.8229   11.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663   -5.9100   -0.6061 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3619    1.3718    9.4701 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2823    0.6450   10.3800 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6840    0.8694    0.0900 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2416   -5.0633   -0.0688 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3987    0.5536    2.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432    1.9551    7.9234 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7099    1.5409   10.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935   -9.1255    6.3428 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9677   -0.5738    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943   -7.0708    0.0121 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9594    0.6485    7.7077 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4209   -6.4962    7.1748 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2749    1.2291    9.0022 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9607   -1.8415    2.1034 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9546   -3.3475    9.5062 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5338   -1.8567    9.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7912   -5.1376    7.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2142   -4.4704    3.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098   -8.7153    6.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9966   -5.3688    0.9522 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0706   -8.7265    3.9121 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1016    2.6865    6.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.6276    1.2843 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2341   -6.0228    1.7333 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7129   -3.2072    2.6093 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0423    0.7788   10.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1994   -4.3817    0.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265  -10.8212    4.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2096   -4.4022    4.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2514   -0.9881   10.2892 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.5621    0.8112   12.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7363    0.7354    3.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3516    3.7032    6.6174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4002   -0.7062    1.5440 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309   -8.8807    0.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5347   -0.0175    6.7169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1527    2.3163   11.7367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -1.5648    8.8725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002   -4.8914    9.0729 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3304   -9.6206    6.7420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206   -9.7002    6.0860 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8602    1.9315   10.2314 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5259   -5.4935    2.4434 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5505   -4.2556    6.8963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6970    2.7174    1.8210 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2807    0.9422   10.8978 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.2782   -7.6508    2.8759 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7380   -7.4582    6.1354 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1520   -6.8066   -0.9894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7131   -1.3249   -0.6634 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0113    0.4253    2.5971 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.6116    0.7190    1.9086 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0031    2.6190    3.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6029   -2.5217   -0.0212 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8208    2.8929    4.3139 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2780   -0.1208    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -1.7398   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9067   -3.2878   -0.9603 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7724    3.8531    3.9421 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2082   -1.8284   -1.6015 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4618   -3.5191   -2.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5309   -2.6908   -2.5930 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1098    5.3080    3.3656 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.3693    3.3276    3.4564 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.6391   -4.1128   -3.3335 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4195   -4.9143   -4.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3813    0.3383  -12.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308   -0.7460  -10.1712 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1613   -2.5586   -5.8357 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8474   -4.5797   -4.4329 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0122   -1.3611   -6.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2947   -2.7821   -5.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147   -0.2922  -11.5898 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4671   -1.0303   -8.7318 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5539   -4.0442   -3.2001 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7249   -4.8394   -2.7354 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6829   -0.2524   -6.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693   -1.7319   -4.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756    2.3289  -12.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7653   -0.4622   -5.2691 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0438    8.3808   -2.1015 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9428   -4.0779   -2.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5382   -1.5887   -4.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808    6.5932   -5.9200 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8153    6.3283   -6.9207 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2968    2.1288  -11.0275 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2801    9.0566   -1.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822    8.3827   -3.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4700   -2.7764   -3.1661 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3222   -4.5933   -3.1998 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5168    4.2021  -10.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    7.9722   -5.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    7.3340   -6.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4952    6.3573   -8.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0603    5.5245  -10.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    8.9486   -4.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8527    9.7581   -3.0637 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.4523    7.5698   -7.6057 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7085    7.0447   -8.6508 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2943    9.7242   -4.3755 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6152    3.5540   -9.5949 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.8968    3.4819    3.4387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032   -0.9674    0.8033 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.8993    2.3391    5.6077 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.7850    1.6714    2.3722 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.0777   -0.1747   -0.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5005   -6.0325   -3.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8105   -4.3667   -4.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4977   -4.8090   -5.4861 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.1643   -0.2364  -13.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -4.1481   -4.6144 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804   -1.3170   -7.5677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7510   -3.8824   -2.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0921    1.5068  -13.0451 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0046    3.6567  -12.0473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1794   -2.6506   -3.5529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4969    1.0793   -6.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8457    9.1434   -0.7021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    7.8872   -3.9144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695    5.8738   -9.2304 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.5887   10.3805   -0.4421 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.0777   -0.5226   -4.3303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2866    3.2407  -10.2578 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3715    8.7645   -5.6366 N   0  0  0  0  0  3  0  0  0  0  0  0
   -0.3107    6.1970  -11.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144    1.4379   -6.9101 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.2871    3.9957    0.6394 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.9466    0.1454    6.8446 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0
  1 16  1  0
  2 34  2  0
  2 27  1  0
  2 47  1  0
  3  8  1  0
  3 36  1  0
  4 53  1  0
  4 41  2  0
  5 32  1  0
  5 52  1  0
  5 37  2  0
  6 55  1  0
  7 12  1  0
  7 52  1  0
  8 32  1  0
  9 29  1  0
 10 33  1  0
 10  6  1  0
 11 38  2  0
 11 40  1  0
 12 28  1  0
 13  3  1  0
 13 43  2  0
 13 48  1  0
 14 25  1  0
 14 47  1  0
 15  9  1  0
 15 40  1  0
 15 56  2  0
 16 55  1  0
 17 42  1  0
 18 54  1  0
 19 17  1  0
 19 48  1  0
 20 40  1  0
 21 45  1  0
 21 22  1  0
 22 36  1  0
 22 44  2  0
 23 45  1  0
 23 18  1  0
 23 50  2  0
 24 35  2  0
 24 49  1  0
 25 46  2  0
 25 54  1  0
 26 33  1  0
 26 30  1  0
 27 53  1  0
 28 39  2  0
 28110  1  0
 29 11  1  0
 29 51  1  0
 30 49  1  0
 31 20  1  0
 31 24  1  0
 42134  1  0
 51133  1  0
 58 57  1  0
 58 62  1  0
 58111  1  0
 59108  2  0
 59111  1  0
 60 63  2  0
 60 64  1  0
 61 59  1  0
 61 65  1  0
 61110  1  0
 62109  1  0
 62112  2  0
 63 66  1  0
 63109  1  0
 64 67  2  0
 65 69  1  0
 65 70  1  0
 66 68  2  0
 67 68  1  0
 67 71  1  0
 71114  1  0
 72113  2  0
 72114  1  0
 72117  1  0
 73 79  1  0
 73116  2  0
 73120  1  0
 74 79  1  0
 74 80  1  0
 75 77  2  0
 75 78  1  0
 76 81  1  0
 76117  1  0
 76115  1  0
 77 83  1  0
 77118  1  0
 78 84  2  0
 78117  1  0
 80118  1  0
 81 82  1  0
 81122  1  0
 81119  1  1
 82 88  1  0
 83 86  2  0
 83123  1  0
 84 86  1  0
 84 89  1  0
 85 92  2  0
 85120  1  0
 85121  1  0
 87 93  2  0
 87 94  1  0
 88 95  1  0
 88 96  2  0
 89122  1  0
 89128  2  0
 90 91  2  0
 90 99  1  0
 91100  1  0
 92129  1  0
 93103  1  0
 93124  1  0
 94102  2  0
 94125  1  0
 95122  1  0
 97101  1  0
 97121  2  0
 97129  1  0
 98 99  1  0
 98125  2  0
 98130  1  0
 99104  2  0
100105  2  0
100126  1  0
101126  1  0
101131  2  0
102106  1  0
102130  1  0
103106  2  0
104105  1  0
107129  1  0
123132  1  0
124127  1  0
M  RAD  8   1   3   3   2   6   3   7   3   8   3   9   3  10   3  12   3
M  RAD  8  14   3  16   3  17   3  18   3  19   3  20   3  21   3  26   3
M  RAD  8  27   3  29   2  30   3  31   3  36   2  45   2  47   2  48   2
M  RAD  8  49   2  52   2  53   2  54   2  57   2  58   2  60   2  61   2
M  RAD  8  64   2  65   2  66   2  68   2  69   2  70   2  71   3  74   3
M  RAD  8  75   2  76   2  79   3  80   3  82   3  86   2  87   2  90   2
M  RAD  8  91   2  92   2  95   3  96   3 103   2 104   2 105   2 106   2
M  RAD  8 107   2 109   2 110   2 111   2 115   2 120   2 126   2 127   2
M  RAD  4 130   2 132   2 133   2 134   2
M  END
$$$$
