TJLPAY0049
     RDKit          3D

 68 75  0  0  1  0  0  0  0  0999 V2000
   15.2694    3.4665    2.0213 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.6853    2.7238    0.3241 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.1092    2.8821    1.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7782    1.8415   -1.2023 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.4398    2.1342    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5713    1.2622   -0.8920 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.4140   -4.0354   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7262   -2.1937   -1.3106 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.5090    0.8492   -0.4630 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.2262    2.4565    2.6415 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.2293    2.7572    0.7149 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.6008    1.7137    1.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5011   -3.1287   -1.1088 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.9747   -1.2763   -1.4834 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.9754   -0.4224   -0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6080    1.0995    0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9805    1.8667    2.3838 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.7721    2.4207    0.5589 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.3903    1.7902    0.6023 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.1628   -0.0301    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5757   -1.5232   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3817   -3.1942   -1.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7345    2.3946    1.2850 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.3338    0.5871    1.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3012   -2.1074   -1.1851 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9220   -2.2842   -1.3571 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.6293   -1.3084    0.7836 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.9116    0.1657    0.4843 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.3038   -0.0355    1.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2709   -0.0857    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5701    1.5090    2.5301 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4671   -1.9473   -0.8962 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.5026    0.9558    2.5691 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.2213   -0.8114   -0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974   -0.9920   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -1.3517   -0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3926   -2.3177   -1.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -2.1854   -1.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1963   -1.6477   -0.7987 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8883   -0.0479   -0.0385 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5162   -0.2352   -0.2213 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.6316   -1.9613   -0.5705 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0401    0.0611   -0.8499 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.5772   -4.7318    0.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4219    3.9939    0.8859 O   0  0  0  0  0  1  0  0  0  0  0  0
  -12.9381    2.3998    0.5691 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.0171   -0.4692   -1.7005 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2869    1.1637   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4563    1.1484    0.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961   -4.1133   -1.6198 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1103   -3.4064   -1.9799 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3450    0.8665    1.8272 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1082   -2.7837   -0.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6425   -1.4820   -0.9511 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.2731    0.7142    2.3616 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3450   -0.9252    2.8621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2308   -1.3984   -1.0692 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3987   -1.2038   -0.3416 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5861   -2.6799   -2.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1183   -3.7616   -0.5668 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.6080    3.7653    0.9690 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.5989    4.4937    1.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0999    4.4199   -0.2969 O   0  0  0  0  0  1  0  0  0  0  0  0
   17.2304    2.2888    0.6550 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6973    1.5758   -0.3312 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.0004    0.8347   -1.4813 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.3353    0.2550   -2.4703 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1379   -0.7788   -3.0048 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  1 61  1  0
  2  3  2  0
  2  5  1  0
  3 10  1  0
  4  5  1  0
  4  6  2  0
  5 12  2  0
  6 49  1  0
  7 13  1  0
  7 44  2  0
  7 50  1  0
  8 13  1  0
  8 14  1  0
  9 15  2  0
  9 16  1  0
 10 17  2  0
 11 19  1  0
 11 45  1  0
 11 46  1  0
 12 17  1  0
 12 49  1  0
 14 47  1  0
 15 21  1  0
 15 47  1  0
 16 20  2  0
 16 46  1  0
 18 19  1  0
 18 23  2  0
 19 48  1  6
 19 52  1  0
 20 27  1  0
 20 29  1  0
 21 27  2  0
 21 53  1  0
 22 32  2  0
 22 50  1  0
 22 51  1  0
 23 31  1  0
 24 30  1  0
 24 49  1  0
 24 55  2  0
 25 26  2  0
 25 35  1  0
 26 36  1  0
 28 30  2  0
 28 34  1  0
 29 52  1  0
 29 56  2  0
 30 58  1  0
 31 33  2  0
 32 57  1  0
 33 52  1  0
 34 35  1  0
 34 39  2  0
 35 40  2  0
 36 41  2  0
 36 54  1  0
 37 38  1  0
 37 51  2  0
 37 57  1  0
 38 54  1  0
 38 59  2  0
 39 58  1  0
 40 41  1  0
 42 58  1  0
 43 57  1  0
 53 60  1  0
 61 62  2  0
 61 63  1  0
 61 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  1  0
M  RAD  8   1   2   2   2   4   2   6   2   8   3   9   2  10   2  11   2
M  RAD  8  13   3  14   3  17   2  18   2  23   2  25   2  26   2  27   2
M  RAD  8  28   2  31   2  32   2  33   2  39   2  40   2  41   2  42   2
M  RAD  8  43   2  45   2  46   2  50   2  54   2  60   2  63   2  65   3
M  RAD  2  66   3  68   2
M  END
$$$$
