TJLPAY0058
     RDKit          3D

 81 89  0  0  1  0  0  0  0  0999 V2000
   19.9854   -1.4539    0.2702 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.6669    0.7608    0.6825 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.6686    1.5042   -0.6751 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.7919   -0.7251    0.1262 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.9787   -2.8275    0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9051    1.6810    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6949    1.0354    2.1625 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.5769   -1.4169    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6967    0.5324    3.2161 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.8058    0.3708   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531   -1.5010    1.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123   -0.3243    1.2920 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9710    0.3186   -0.1746 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.1464   -0.5626    3.4342 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.7692    2.0529    1.6914 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.4768    2.3449    2.1465 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1237    0.1254   -1.5734 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.7514   -3.5152    0.5694 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.5476    1.4162    0.5134 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.6851   -0.2044    3.7562 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.5425   -2.8030    0.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4231    0.6713   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3388   -0.0959    2.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115    0.5149   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8702   -0.1074   -1.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0090   -0.9470    1.5941 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7683    0.3273    0.9434 C   0  0  0  0  0  2  0  0  0  0  0  0
  -22.1626   -0.7428    2.8617 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.2882    1.4627   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0092    1.9393    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972    2.5507    1.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3290   -0.3558   -2.9690 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5903   -1.1275   -3.1034 C   0  0  0  0  0  2  0  0  0  0  0  0
  -20.7687   -0.4441    2.6666 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.4405   -2.0694    0.3134 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6296   -0.2482    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1914   -3.2051    0.4941 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3289   -0.3202   -2.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1135    0.3662   -1.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4278    0.7118   -1.3012 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.9592    2.1891   -0.5716 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.6978    2.5219   -0.0950 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.1771    2.9423    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    1.7081    0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2424   -0.4502   -2.5065 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9706   -0.0648   -2.7027 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4045   -2.4223   -3.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0153   -0.9790   -3.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8214    0.1302   -0.9709 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.2422   -3.6374   -3.2335 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0060   -2.4426   -3.9116 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.6781    2.1231   -2.1249 C   0  0  0  0  0  1  0  0  0  0  0  0
   21.2182   -3.4168    0.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6406    1.2556    0.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140   -2.0138    2.8674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5082    1.4400   -1.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6824    1.5293    1.2127 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0303    0.9817    2.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4630    0.0715    4.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1393   -0.3513   -0.7727 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9044    0.9686    0.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7031   -0.4400    4.2033 N   0  0  0  0  0  1  0  0  0  0  0  0
  -10.4386    2.9301    0.1310 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2570   -0.9683    0.1666 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3136    0.4963   -3.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5375    2.8247    0.8652 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1149   -1.4766    0.6958 N   0  0  0  0  0  2  0  0  0  0  0  0
  -18.5544   -0.9921    3.2441 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.1610    2.7442    1.7799 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.0770    0.7173    1.2122 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7134    0.2857   -1.3543 N   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0816   -1.2146    1.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3131   -1.3730   -3.4166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7777    0.6056   -1.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.3821   -0.8886 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8146    4.0465    0.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3903   -1.2836   -4.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2570   -4.6735    1.1857 C   0  0  0  0  0  1  0  0  0  0  0  0
  -24.2981   -0.8193    1.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.5787   -1.9618    0.8433 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.5334    1.3977   -3.0689 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  2  0
  1  5  1  0
  2  6  2  0
  2 57  1  0
  3  6  1  0
  3 56  1  0
  4  8  1  0
  5 18  2  0
  5 53  1  0
  6 63  1  0
  7  9  1  0
  7 57  1  0
  8 21  2  0
  8 64  1  0
  9 59  1  0
 10 22  1  0
 10 54  2  0
 10 64  1  0
 11 26  1  0
 11 55  2  0
 11 67  1  0
 12 26  1  0
 12 27  1  0
 13 24  2  0
 13 25  1  0
 14 20  1  0
 14 68  1  0
 15 16  2  0
 15 30  1  0
 16 31  1  0
 17 32  1  0
 17 60  1  0
 17 56  1  0
 18 21  1  0
 19 22  2  0
 19 29  1  0
 20 59  1  0
 21 37  1  0
 22 71  1  0
 23 34  1  0
 23 58  2  0
 23 68  1  0
 24 39  1  0
 24 61  1  0
 25 38  2  0
 25 60  1  0
 27 61  1  0
 28 34  1  0
 28 62  1  0
 28 72  1  0
 29 30  1  0
 29 40  2  0
 30 41  2  0
 31 42  2  0
 31 69  1  0
 32 73  1  0
 32 33  1  0
 32 65  1  6
 33 47  1  0
 35 37  2  0
 35 64  1  0
 36 49  2  0
 36 67  1  0
 36 70  1  0
 38 46  1  0
 38 48  1  0
 39 46  2  0
 39 74  1  0
 40 71  1  0
 41 42  1  0
 43 44  1  0
 43 69  1  0
 43 76  2  0
 44 70  2  0
 44 75  1  0
 45 71  1  0
 47 50  2  0
 47 51  1  0
 48 73  1  0
 48 77  2  0
 49 75  1  0
 51 73  1  0
 52 75  1  0
 53 78  1  0
 57 66  1  0
 63 66  2  0
 72 79  2  0
 72 80  1  0
 74 81  1  0
M  RAD  8   1   2   2   2   3   3   4   2   7   3   9   3  12   3  13   2
M  RAD  8  14   3  15   2  16   2  17   2  18   2  19   2  20   3  26   3
M  RAD  8  27   3  28   2  33   3  34   3  35   2  37   2  40   2  41   2
M  RAD  8  42   2  45   2  46   2  49   2  50   3  51   3  52   2  60   2
M  RAD  7  62   3  67   2  68   2  69   2  78   2  80   2  81   2
M  END
$$$$
