TJL0544
     RDKit          3D

 67 71  0  0  1  0  0  0  0  0999 V2000
   -2.2121    2.3021   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7864    2.6389   -0.1239 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5376    0.7806   -0.8812 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9634    0.1650   -2.2357 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8075   -0.3147    1.6565 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.7746    1.8682    1.5036 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9835    2.3661   -0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7808    2.6216    0.3557 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.4990    0.0962    0.0684 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4441   -1.2404   -1.6382 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2974   -1.3849    0.5736 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0956    2.8601    0.3537 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0563    3.2713   -0.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9039    2.3578   -1.6250 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386   -0.9644    0.2471 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.8647   -1.8752   -0.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1027    1.8522    0.4437 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.0288    1.0067   -2.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972    0.8149    2.3031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2846    0.2958    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237    0.9796   -0.5412 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5161   -1.1160   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3806   -1.8554    0.7853 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1309   -1.1541    1.6798 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1615    0.2277    1.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1953    0.9566    0.9710 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9515   -1.8983   -1.0713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4070    0.7921    2.1011 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8438    0.6721    2.4229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1254   -3.0744   -1.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9463   -2.3247   -1.9942 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0472   -1.8053   -3.3630 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3913   -1.4741   -3.9808 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5090   -1.5104   -2.8402 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4210   -2.4776   -1.7080 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.6815   -3.2349   -0.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6244   -2.0952   -5.0869 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.8658   -1.6500   -3.9784 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.0081   -0.4109   -2.4353 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.8633   -2.8360   -1.1018 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.3517   -4.1866   -0.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7362   -1.6140   -0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9392   -1.1871   -1.5014 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1669   -0.7545   -1.3146 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1239   -2.6429   -1.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043   -1.4934   -0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4815   -1.2020   -0.7712 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.7963    0.2397   -0.9760 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.6931    1.2143   -1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3506    0.7197   -1.3840 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7529   -2.4357    0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0332    2.4176   -1.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6153   -2.3293   -0.5284 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.2907    0.7377   -0.9819 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.1628    1.6135   -1.7940 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.3055   -0.5930    2.2868 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.6143   -0.8568    2.6214 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.4374    0.2047    2.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9561    1.4897    3.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5800    1.7591    2.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7398   -0.1302    3.3360 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.6003    0.9101    3.8859 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.1561    2.2138    3.9975 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.8313    2.5162    3.5876 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9993    3.1487    2.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7415    3.3298    3.1748 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.8196    4.1391    2.9002 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 13  2  0
  1 21  1  0
  2  8  1  0
  3  9  1  0
  3 18  1  0
  4 10  1  0
  4 18  1  0
  5 11  1  0
  5 19  1  0
  6 12  1  0
  6 19  1  0
  7 12  1  0
  7 14  2  0
  7 17  1  0
  8 17  1  0
  9 15  1  0
 10 16  1  0
 11 16  1  0
 15 42  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 27  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 28  1  0
 26 20  2  0
 28 29  1  0
 29 56  2  0
 30 31  1  0
 31 32  1  0
 31 27  1  0
 32 33  1  0
 32 38  1  0
 33 34  1  0
 33 37  1  0
 34 35  1  0
 34 39  1  0
 35 30  1  0
 35 36  1  0
 36 40  1  0
 36 41  2  0
 42 43  1  0
 42 45  2  0
 43 44  1  0
 44 46  1  0
 46 47  1  0
 46 51  2  0
 47 48  1  0
 47 53  1  0
 48 49  1  0
 48 54  1  0
 49 50  1  0
 49 52  2  0
 50 44  1  0
 50 55  1  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 58 61  1  0
 59 60  2  0
 60 29  1  0
 60 65  1  0
 61 62  2  0
 62 63  1  0
 63 64  2  0
 64 59  1  0
 65 66  1  0
 65 67  2  0
M  RAD  8   2   3   3   3   4   3   5   3   6   3   8   3   9   3  10   3
M  RAD  8  11   3  12   3  15   2  17   2  21   2  23   2  24   2  26   2
M  RAD  8  28   3  31   2  32   2  33   2  34   2  35   2  37   2  38   2
M  RAD  8  39   2  40   2  43   3  47   2  48   2  53   2  54   2  55   2
M  CHG  1  29   1
M  RAD  7  56   2  57   2  61   2  62   2  63   2  64   2  66   2
M  END
$$$$
