TJL0477
     RDKit          3D

 85 92  0  0  1  0  0  0  0  0999 V2000
   10.7080    2.9277   -0.7591 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.4685   -3.8789   -0.7803 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.1813   -1.1846   -2.6690 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.7526    4.9356   -1.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2947    1.5308   -0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4145   -0.1659   -2.0413 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.0370   -2.4803   -3.0969 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.0265   -4.4306   -2.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   -3.1104    0.4563 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.8742    6.3442   -1.2547 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.4699    5.1704    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2856   -0.6371   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0632    6.4418   -0.1439 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1136    0.2412   -0.4565 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2139   -0.5056   -2.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0927   -0.8372   -1.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617    0.4379    0.5665 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9684   -1.7345   -1.2319 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9162   -0.4726    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199   -0.9953    2.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    0.4399    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896   -0.5156   -1.1681 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0162   -0.1953    1.5392 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9668   -1.5482   -0.2393 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3175   -0.1240    0.0124 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9980   -1.6793   -0.2854 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.8164   -2.9946    2.5582 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1787   -3.9639    1.4702 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0454   -1.5919    2.4945 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7833   -0.7212    1.2835 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.6672   -2.9997    0.5050 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.5690    0.1326    2.4314 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.0084   -1.8772    2.0582 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.3471   -4.3524    1.2256 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0065   -1.2309    1.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9406   -3.5817    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8474   -5.7258   -0.7140 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4565    1.2543    1.9704 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.5420    0.0181    1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2523   -4.4494   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3854   -2.1987    0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3713    3.5841    1.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4902    0.2398    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1715   -5.6071    3.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2924   -1.8261   -0.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0424   -4.0173   -1.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9647    1.6116    0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4650    4.2915    1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9406    5.5718    1.3475 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5483   -2.7178   -1.7336 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.8421    2.3611   -0.1077 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.2251    3.7169    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7353    2.6271   -1.1093 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.4054    4.4948   -0.5465 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.9419    5.7170    0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5488    3.5914   -0.8275 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.9810    4.6528   -2.9056 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9940    1.0717   -1.9551 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.7878   -3.8061   -3.1982 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.3059   -2.3623    1.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0332    4.2468   -0.7474 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4242    1.0207    0.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -1.0710   -2.3968 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.3689   -1.8058   -0.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5729    5.0682    0.9295 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5113    1.0429    1.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2940   -2.1096    2.8368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1461    0.0837    2.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    0.2020   -0.9615 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.1557    0.3413   -1.1161 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1007   -0.6594    2.8111 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.6429    4.2094    2.5523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094   -5.5803    2.0631 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2662    2.2192    1.5039 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992   -6.1069    2.9510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8606   -0.6043   -0.7260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3222   -4.8108   -2.7774 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7842   -5.0940    4.3295 N   0  0  0  0  0  1  0  0  0  0  0  0
  -11.9773    6.3667    1.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9935    5.0555   -1.6882 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.1075    6.1191    0.4916 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2581    7.6146   -2.0591 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.4757   -3.0919    2.6035 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.7782   -5.4089   -1.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708   -0.1337   -3.5372 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  1 61  1  0
  2  8  1  0
  2  9  1  0
  3  7  1  0
  4 10  1  0
  4 57  2  0
  4 61  1  0
  5 58  1  0
  5 62  2  0
  6  3  1  0
  6 12  1  0
  6 58  1  0
  7 59  1  0
  8 59  1  0
  8 84  2  0
  9 60  1  0
 10 13  1  0
 10 82  1  0
 11 13  1  0
 11 61  1  0
 11 65  2  0
 12 64  2  0
 12 69  1  0
 14 16  2  0
 14 17  1  0
 15 63  1  0
 15 85  2  0
 16 18  1  0
 16 63  1  0
 17 19  2  0
 18 24  2  0
 19 23  1  0
 19 24  1  0
 20 67  2  0
 20 68  1  0
 20 71  1  0
 21 66  2  0
 21 70  1  0
 22 15  1  0
 22 26  1  0
 22 70  1  0
 23 68  1  0
 25 21  1  0
 25 30  1  0
 25 69  1  0
 26 31  1  0
 27 28  1  0
 27 29  1  0
 28 36  1  0
 29 35  1  0
 29 71  1  0
 30 32  1  0
 30 33  1  0
 31 34  1  0
 34 73  1  0
 35 39  2  0
 35 41  1  0
 36 40  1  0
 36 41  2  0
 37 40  1  0
 38 39  1  0
 38 74  1  0
 39 43  1  0
 40 46  2  0
 41 45  1  0
 42 48  1  0
 42 72  2  0
 42 74  1  0
 43 47  1  0
 43 76  2  0
 44 73  1  0
 44 75  2  0
 44 78  1  0
 45 50  2  0
 45 76  1  0
 46 50  1  0
 46 77  1  0
 47 51  2  0
 47 74  1  0
 48 49  1  0
 48 52  2  0
 49 79  1  0
 51 52  1  0
 52 54  1  0
 53 56  1  0
 54 55  1  0
 54 56  1  0
 54 80  1  6
 55 79  1  0
 55 81  2  0
 60 83  1  0
M  RAD  8   1   3   2   3   3   3   6   2   7   3   9   3  10   2  13   3
M  RAD  8  14   2  17   2  18   2  22   2  23   3  24   2  25   2  26   3
M  RAD  8  27   3  28   3  29   2  30   2  31   3  32   2  33   2  34   3
M  RAD  8  38   3  49   3  50   2  51   2  53   2  56   3  58   2  59   2
M  RAD  8  63   2  69   2  70   2  71   2  73   2  78   3  80   2  82   2
M  RAD  1  83   2
M  END
$$$$
