TJL0493
     RDKit          3D

 75 79  0  0  1  0  0  0  0  0999 V2000
   -7.0202    2.3151   -2.3706 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2479    1.3318   -1.4212 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2886    0.9879   -3.3961 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.3648    0.1730   -4.7554 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8102   -2.4407   -2.4586 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6272   -0.3455   -1.5666 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.9671   -0.3871    4.5293 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.3006   -1.0206    3.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697    0.4278   -3.2771 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7478   -3.1997   -2.9004 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6621   -1.0616   -2.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5771    1.6226    0.0707 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.6976    0.1970    4.4031 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5907   -0.3069    0.5173 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0914    0.1928   -2.0930 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.0683   -0.2073   -0.2168 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.5221    1.4740   -1.3243 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.7742   -0.4202   -2.2988 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.9684   -1.5061   -1.8272 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.8482   -0.0068   -0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838   -3.1217   -3.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513   -2.5551   -3.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -0.3692   -2.7802 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8440    2.6106    1.2209 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2619   -0.0120    3.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275   -0.0989   -2.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4746   -0.8045    1.0497 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.0977    2.0480   -1.3026 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.3399    0.9432   -1.8973 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7105   -0.9317   -1.1902 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1799   -1.9456   -2.3324 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4987   -1.1316   -3.1765 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1903    2.5270    1.9753 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5516   -1.2158    1.7898 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.5053   -1.5182   -1.0617 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6068    2.3126    1.9912 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.2184   -0.9099    0.1802 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.4875    0.9165    6.5059 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.5062    3.5232    2.2867 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.4241    0.8681    3.6948 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.1941    0.7473    4.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2926    0.7776    1.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0379    0.6145    2.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.0169    1.1651 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.1414    0.1352   -1.1460 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.8516    0.1881    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5013    0.2786    4.7720 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.6367   -0.5302   -2.2637 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.3497    0.0578    2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0594   -0.1141    3.5621 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.1416   -0.3959    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648    2.2274    0.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8965   -1.0704   -2.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6429   -1.0241   -1.0365 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.3490   -1.5669    3.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2227    0.5807   -0.6718 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4381    0.5648    0.4389 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874   -3.8757   -3.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -1.4026   -2.5358 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.2751   -0.7404    2.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    2.0063   -1.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5519    0.1175   -0.7812 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4932   -3.3318   -3.5223 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.4738    0.5363   -1.2040 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2297   -1.6193   -2.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2059    0.4134    2.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.8830   -2.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0264    1.2856    1.2226 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.7778    1.2226    6.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5171    1.2776    1.8411 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.8967   -0.3908    1.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1161    2.2681   -0.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808    3.4274    1.1719 N   0  0  0  0  0  1  0  0  0  0  0  0
  -11.5150   -1.8957   -3.6006 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2303    1.2596    5.3587 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2 56  1  0
  3  9  1  0
  4  9  1  0
  5 10  2  0
  5 11  1  0
  6 11  1  0
  6 56  1  0
  7  8  1  0
  7 13  1  0
  8 55  2  0
  8 60  1  0
 10 22  1  0
 11 23  2  0
 12 24  1  0
 12 56  1  0
 13 25  1  0
 13 75  1  0
 14 34  1  0
 14 56  1  0
 15 26  1  0
 15 62  1  0
 15  9  1  0
 16 27  1  0
 16 64  1  0
 17 28  1  0
 17 64  1  0
 18 29  1  0
 18 65  1  0
 19 30  1  0
 19 65  1  0
 20 30  1  0
 20 57  2  0
 20 62  1  0
 21 31  1  0
 21 58  2  0
 21 63  1  0
 22 32  2  0
 22 63  1  0
 23 32  1  0
 24 33  1  0
 25 60  1  0
 25 66  2  0
 26 59  1  0
 26 67  2  0
 27 60  1  0
 28 61  1  0
 29 61  1  0
 31 35  1  0
 31 59  1  0
 33 36  1  0
 35 37  1  0
 36 39  1  0
 36 68  1  0
 37 44  1  0
 38 69  1  0
 40 41  2  0
 40 43  1  0
 41 47  1  0
 41 69  1  0
 42 43  2  0
 42 46  1  0
 42 68  1  0
 43 49  1  0
 44 70  1  0
 45 46  2  0
 45 48  1  0
 46 51  1  0
 47 50  2  0
 48 53  2  0
 49 50  1  0
 49 71  2  0
 51 54  2  0
 51 71  1  0
 52 70  1  0
 52 72  2  0
 52 73  1  0
 53 54  1  0
 53 74  1  0
M  RAD  8   1   2   2   3   3   2   4   2   5   2   6   3   7   3   9   2
M  RAD  8  10   2  12   3  13   2  14   3  15   2  16   3  17   3  18   3
M  RAD  8  19   3  23   2  24   3  27   3  28   3  29   3  30   3  31   2
M  RAD  8  32   2  33   3  34   2  35   3  36   2  37   3  38   2  39   2
M  RAD  8  40   2  44   3  45   2  47   2  48   2  50   2  54   2  59   2
M  CHG  1  56   1
M  RAD  6  62   2  63   2  68   2  70   2  73   3  75   2
M  END
$$$$
