TJL0190
     RDKit          3D

118122  0  0  1  0  0  0  0  0999 V2000
    4.2812   -4.2612   -1.7695 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.6899   -2.9039   -3.3527 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.8448   -1.7296    0.6811 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.2865   -1.5488   -1.7947 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3955   -2.9474   -1.9613 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.0338   -2.8539    0.4969 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.2385   -0.9012   -0.5063 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.2390   -1.5485    0.3406 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5773   -1.5293    0.9975 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.8180   -0.6748    3.4578 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7088   -0.3874   -0.0251 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0921   -1.3713    1.2577 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7851   -2.6918    0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9066   -2.0195    1.4688 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.6801   -0.2340    1.9180 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5305   -1.8099   -1.0820 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7556    0.5478   -0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1798    0.5718   -0.5125 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.6039    0.9480    0.2018 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6944    0.5923   -0.1787 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8099   -0.3025    1.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643   -0.8269   -1.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4704    1.2050   -0.8996 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.3324    1.4405   -0.2160 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.8483    0.8611    0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5982   -0.6603    1.7556 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.6405    3.1177   -0.2982 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.0294    2.1773    3.6358 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.5903    2.3500    2.6640 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.4411    1.4026    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4460    1.1328    1.4717 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.7834    4.9664   -1.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0129    2.1033    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8547    1.6444    0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6626   -0.8505    3.1757 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8508    0.7847    1.9108 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.1031    2.1463    2.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4393    0.5524    0.9249 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.8144    2.5466    1.1365 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.5441    2.2248    3.7750 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2456   -0.7189    1.1916 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.1786    1.7819    2.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2134    2.5901   -0.4963 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1548    1.4894    0.8618 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.1105    2.2549   -1.9774 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.2834    0.1590    2.7079 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.9467    5.5265   -2.6151 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8567    1.7703    1.7227 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.7176    0.3506    2.7531 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6384    3.6410   -1.4883 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.8441    3.1935    0.8065 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.7384    3.1835    1.1715 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.1132   -0.6114    0.3251 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.5054    3.6892   -2.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9913    0.0852    1.1426 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.2410    4.7281   -3.5126 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.0765   -1.8162   -0.1464 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.3470    1.6916    2.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622   -1.3388    1.1440 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.9181    0.9749    4.8814 C   0  0  0  0  0  1  0  0  0  0  0  0
  -18.0146    4.2511   -4.8116 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.1919   -2.7921   -0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4575   -2.5959    0.9242 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.0172    1.8805    0.1710 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5077   -4.0166   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3898    1.7778   -0.2906 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.8501    1.6330   -0.8312 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.0285   -4.6400   -1.5451 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.2009    0.5570   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2815    0.4521    0.6313 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.0262   -5.9569   -2.2452 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.9324   -0.5089   -1.1209 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.1074   -5.5801   -1.2368 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.3595   -6.5184   -2.0505 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.1171   -0.6617    0.5965 C   0  0  0  0  0  3  0  0  0  0  0  0
  -19.1415   -5.8836   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7546   -1.6327   -1.1468 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.8684   -1.6845   -0.3048 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8040   -3.8186   -0.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7727   -0.4554    0.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3569    0.4470   -1.2027 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.7856    1.6949   -1.0455 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4327    5.4083   -0.3819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0522    2.0716   -1.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4864   -0.3680    0.9855 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9896    0.8717    2.1177 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.9198   -2.4142    1.4631 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602   -1.6858    0.1052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2574    2.2536    1.1793 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.9652    1.1386   -0.9529 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9141    3.8958   -1.3792 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2917    1.8881    0.6593 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.4559   -1.1840   -2.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1297    2.8199   -0.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9399    2.4702    0.7957 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.1894    1.8860    1.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5046    0.9842    3.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8734    3.2230    1.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0626    1.9221    3.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7554    2.8918   -3.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6858    2.3222    1.4194 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4428   -4.1215   -1.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3279    2.1151    3.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1194    2.9575   -0.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9678   -3.8641   -1.1423 N   0  0  0  0  0  2  0  0  0  0  0  0
  -16.1721   -2.5585    0.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181   -3.5689    0.5585 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2253   -4.5254   -1.2278 N   0  0  0  0  0  1  0  0  0  0  0  0
  -17.3198   -4.4337   -1.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4678   -6.0459   -3.3909 O   0  0  0  0  0  1  0  0  0  0  0  0
  -20.3327   -5.5589   -0.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6785   -7.7571   -2.0545 O   0  0  0  0  0  1  0  0  0  0  0  0
  -18.7635   -6.5920    0.9905 N   0  0  0  0  0  1  0  0  0  0  0  0
    9.4489   -2.1815   -3.2047 C   0  0  0  0  0  1  0  0  0  0  0  0
   19.5338    3.8235   -1.5132 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.1715    5.1989   -1.1712 O   0  0  0  0  0  1  0  0  0  0  0  0
   20.9882    3.6538   -1.6299 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8149    3.2279   -2.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  4  7  1  0
  4114  1  0
  6  8  1  0
  6 14  1  0
  7  3  1  0
  7 18  1  0
  8 85  1  0
  9 15  1  0
 10 15  1  0
 11 20  2  0
 11 21  1  0
 12 21  1  0
 12 87  1  0
 13 79  2  0
 13 87  1  0
 13 88  1  0
 14 26  1  0
 16  5  1  0
 16 22  1  0
 16 88  1  0
 17 80  2  0
 17 90  1  0
 18 24  1  0
 18 90  1  0
 19 25  1  0
 20 34  1  0
 21 36  2  0
 22 81  1  0
 22 93  2  0
 23 17  1  0
 23 43  1  0
 23 81  1  0
 24 19  1  0
 24 94  1  0
 25 85  1  0
 25 96  2  0
 26 46  1  0
 26 85  1  0
 27 39  1  0
 27 91  1  0
 28 37  1  0
 28 40  1  0
 29 39  1  0
 29 40  1  0
 30 38  1  0
 30 82  2  0
 30 92  1  0
 31 42  1  0
 31 92  1  0
 31 15  1  0
 32 47  1  0
 32 83  2  0
 32 91  1  0
 33 44  1  0
 33 84  2  0
 33 95  1  0
 34 48  2  0
 34 95  1  0
 36 48  1  0
 37 86  1  0
 37 98  2  0
 38 53  1  0
 38 86  1  0
 41 88  1  0
 42 89  1  0
 42 99  2  0
 43 50  1  0
 43 51  1  0
 44 55  1  0
 44 89  1  0
 45 90  1  0
 46 49  1  0
 46 97  1  0
 47 56  1  0
 49 35  1  0
 49 58  1  0
 52 94  1  0
 53 57  1  0
 54 56  1  0
 54 91  1  0
 54100  2  0
 55 59  1  0
 56 61  1  0
 57 62  1  0
 58101  1  0
 58103  2  0
 59 63  1  0
 60 97  1  0
 62105  1  0
 62106  2  0
 63107  1  0
 64 66  1  0
 64 67  1  0
 64101  1  0
 65102  2  0
 65107  1  0
 65108  1  0
 66 69  1  0
 66104  1  0
 68 71  1  0
 68105  1  0
 68109  1  0
 69 70  2  0
 69 72  1  0
 70 75  1  0
 71 74  1  0
 71110  1  0
 72 77  2  0
 73 74  1  0
 73 76  1  0
 73109  1  0
 74112  1  0
 75 78  2  0
 76111  2  0
 76113  1  0
 77 78  1  0
104115  1  0
115116  1  0
115117  2  0
115118  2  0
M  RAD  8   1   2   2   2   3   2   4   3   5   2   6   3   7   2   8   3
M  RAD  8   9   2  10   2  11   2  12   3  14   3  15   2  16   2  18   2
M  RAD  8  19   3  20   2  23   2  24   2  26   2  27   3  28   3  29   3
M  RAD  8  31   2  35   2  36   2  38   2  39   3  40   3  41   2  43   2
M  RAD  8  44   2  45   2  46   2  47   3  48   2  49   2  50   2  51   2
M  RAD  8  52   2  53   3  55   3  56   2  57   3  59   3  60   2  61   2
M  RAD  8  63   3  64   2  66   2  67   2  68   2  70   2  71   2  72   2
M  RAD  8  73   2  74   2  75   2  77   2  78   2  81   2  86   2  89   2
M  RAD  8  92   2  95   2 101   2 105   2 107   2 108   3 110   2 112   2
M  RAD  3 113   3 114   2 116   2
M  END
$$$$
