TJL0379
     RDKit          3D

 97101  0  0  1  0  0  0  0  0999 V2000
   -8.2726   -3.4955    1.4135 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.3687   -1.6370    2.8193 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3697   -2.1757    1.4986 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.6305   -1.1460    4.2727 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5935    0.2750    2.9004 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2773    0.6734    0.7632 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.4723    1.3439    0.5716 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.2223    1.5077   -0.6046 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.0315    3.2890    0.6157 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.9473   -0.7629    0.5596 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.0026   -2.5282   -1.0666 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.0500    4.5260    1.2745 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.9891   -1.2426    1.6910 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.6419   -2.4067   -0.6930 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.5774   -0.7268   -1.2320 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.2763   -1.8237   -1.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4082    0.2289   -1.2316 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.1716    2.8080   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128   -1.7620    1.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7129   -0.4995    1.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3266    0.0841   -0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1262   -1.3647    0.2816 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.3062   -2.0955    0.1418 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2672   -0.2458    0.1544 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.9603   -1.2353    0.2657 C   0  0  0  0  0  2  0  0  0  0  0  0
   22.1934   -2.0268   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7967   -0.9242    1.2111 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.7031   -1.0504    0.1274 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.2491   -1.2676   -0.6313 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.7280    0.1308   -1.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2671   -1.0827   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7664   -1.6014    1.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5322   -1.0793   -1.0080 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4055    0.1160   -0.5983 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.3216    0.1783   -2.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3245    3.5973    0.0026 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.2660    5.1961    1.4240 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.1208   -2.0304    1.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6407    0.7650   -2.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1185    0.7990    2.2453 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.6082    1.4495    0.6387 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.1768    0.2457   -0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8326    0.2623   -0.4970 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5571   -0.3279   -1.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4527   -1.6126   -1.6232 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4707   -1.2142   -2.4557 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.3934    4.7757    0.7367 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2032    0.9174    0.9916 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.9189   -3.7101    1.7430 C   0  0  0  0  0  1  0  0  0  0  0  0
   21.0867   -3.2082    1.0194 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3193   -1.9344    2.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5889   -1.2612   -2.3783 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.2919    0.1369    3.0265 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.9178    1.3277    1.4371 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.2384    1.0911   -0.0435 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5653    1.0414   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375    1.0965   -1.3917 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6283   -2.3037   -3.2279 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.7206   -0.7966   -3.3630 C   0  0  0  0  0  1  0  0  0  0  0  0
  -18.3978    0.7265   -3.5226 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.2646    0.5460   -4.3086 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.9556    2.2999   -0.6998 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4385    3.6000    0.0077 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.9725    4.8884    0.7879 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3009    6.0593    2.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5454   -0.7169   -0.8091 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1167    1.2188   -0.9698 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0891   -2.6405    2.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6599   -1.8006   -0.2162 N   0  0  0  0  0  2  0  0  0  0  0  0
   22.4004   -0.9128   -0.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5547    0.2853   -0.2879 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5425   -1.9751   -2.5162 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1924    1.1733   -3.7407 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4022   -0.9632   -0.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115   -1.1204    2.4864 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3783   -0.1989    0.4057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3166   -1.2596    0.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3287   -0.7471    3.6093 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.5874    0.5427   -1.2422 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.9254   -2.3193   -2.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8791   -3.0565    1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5869   -3.1519   -0.2336 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.7164    0.8865   -2.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6175   -2.2130    1.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9938    0.3195   -1.9279 S   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0949    0.1696   -3.6446 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417    0.9042   -0.8049 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.5413   -0.0115   -2.7960 N   0  0  0  0  0  2  0  0  0  0  0  0
   19.5892   -2.8819    3.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4773    1.9250    0.3873 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5664    6.0862    1.5649 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.3469    5.0627    1.5521 N   0  0  0  0  0  1  0  0  0  0  0  0
    3.8390    6.8555    2.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0069   -0.2228    1.8727 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.4709   -3.8007   -1.8593 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.7231    1.2532    2.0848 C   0  0  0  0  0  2  0  0  0  0  0  0
   24.2767   -1.4762   -2.5204 C   0  0  0  0  0  1  0  0  0  0  0  0
  2  3  1  0
  2  4  1  0
  3  1  1  0
  3 22  1  0
  5 20  1  0
  6 20  1  0
  7 71  1  0
  7 96  1  0
  8 18  1  0
  9 12  2  0
  9 18  1  0
 10 23  1  0
 10 71  1  0
 10 94  1  0
 11 16  1  0
 11 23  1  0
 11 95  1  0
 12 37  1  0
 13 28  1  0
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 66  1  0
 16 80  2  0
 17  8  1  0
 17 66  1  0
 17 35  1  0
 18 36  2  0
 19 68  2  0
 19 75  1  0
 19 77  1  0
 20 32  1  0
 20 75  1  0
 21 67  2  0
 21 76  1  0
 22 29  1  0
 22 76  1  0
 23 81  1  0
 24 31  2  0
 24 34  1  0
 25 31  1  0
 25 77  1  0
 26 70  2  0
 26 72  1  0
 26 82  1  0
 27 38  2  0
 27 70  1  0
 30 71  1  0
 30 83  2  0
 31 45  1  0
 32 69  1  0
 32 84  2  0
 33 21  1  0
 33 46  1  0
 33 69  1  0
 34 44  2  0
 35 85  1  0
 35 86  2  0
 36 47  1  0
 37 47  2  0
 38 50  1  0
 38 51  1  0
 39 57  1  0
 39 73  2  0
 39 88  1  0
 40 53  1  0
 40 54  1  0
 41 54  1  0
 41 55  1  0
 42 55  1  0
 42 74  2  0
 42 87  1  0
 43 56  1  0
 43 87  1  0
 43 28  1  0
 44 52  1  0
 44 88  1  0
 45 52  2  0
 46 58  1  0
 46 59  1  0
 48 76  1  0
 49 81  1  0
 50 82  2  0
 51 78  1  0
 51 89  2  0
 53 78  1  0
 56 79  1  0
 56 90  2  0
 57 62  1  0
 57 79  1  0
 60 61  2  0
 60 85  1  0
 61 86  1  0
 62 63  1  0
 63 64  1  0
 64 91  1  0
 65 91  1  0
 65 92  1  0
 65 93  2  0
 72 97  1  0
 96 94  1  0
M  RAD  8   1   2   2   3   3   2   4   2   5   2   6   2   7   3   8   3
M  RAD  8   9   2  10   2  11   2  12   2  13   2  14   2  15   3  17   2
M  RAD  8  22   2  23   2  24   2  25   3  27   2  28   2  29   3  33   2
M  RAD  8  34   2  36   2  37   2  40   3  41   3  43   2  45   2  46   2
M  RAD  8  47   2  48   2  49   2  52   2  53   3  54   3  55   3  57   2
M  RAD  8  58   2  59   2  60   2  61   2  62   3  63   3  64   3  66   2
M  RAD  8  69   2  75   2  78   2  79   2  82   2  87   2  88   2  91   2
M  RAD  5  92   3  94   3  95   2  96   3  97   2
M  END
$$$$
