A1J1S
  CCTOOLS-0731261038

 56 59  0  0  0  0  0  0  0  0999 V2000
   -9.3260    0.2410   -0.0280 C   0  0  0  0  0
  -10.0450   -1.1010   -0.2480 C   0  0  0  0  0
   -7.1730    0.2570    1.0800 C   0  0  0  0  0
   -5.6860    0.1780    0.8540 C   0  0  0  0  0
   -3.6900   -1.1320    0.6590 C   0  0  0  0  0
   -4.9590    1.3360    0.6420 C   0  0  0  0  0
   -0.3790   -0.1050    0.0390 C   0  0  0  0  0
    1.7730    0.9850   -0.4010 C   0  0  0  0  0
    5.2540   -0.4050   -0.8370 C   0  0  0  0  0
    5.9850   -0.3080    0.5030 C   0  0  0  0  0
    7.4720   -0.3880    0.2720 C   0  0  0  0  0
    9.3560   -1.6810   -0.0280 C   0  0  0  0  0
  -12.1770    0.1610   -0.0850 O   0  0  0  0  0
  -11.1490   -0.3030   -0.9620 C   0  0  0  0  0
  -10.0760    0.7560   -1.2680 C   0  0  0  0  0
   -7.8700    0.1670   -0.2100 N   0  0  0  0  0
   -5.0520   -1.0520    0.8650 C   0  0  0  0  0
   -2.9510    0.0330    0.4390 C   0  0  0  0  0
   -3.5970    1.2720    0.4350 C   0  0  0  0  0
   -1.5380   -0.0430    0.2190 C   0  0  0  0  0
    1.0340   -0.1800   -0.1810 C   0  0  0  0  0
    3.1340    0.9050   -0.6110 C   0  0  0  0  0
    3.7670   -0.3260   -0.6050 C   0  0  0  0  0
    8.2090    0.7560    0.1640 C   0  0  0  0  0
    7.6170    1.9770    0.2630 O   0  0  0  0  0
    9.6020    0.6430   -0.0530 C   0  0  0  0  0
   10.3000    1.6390   -0.1550 O   0  0  0  0  0
   10.1430   -0.5910   -0.1440 N   0  0  0  0  0
    8.0720   -1.5780    0.1770 N   0  0  0  0  0
    3.0410   -1.4840   -0.3870 C   0  0  0  0  0
    1.6800   -1.4190   -0.1760 C   0  0  0  0  0
   -9.6120    0.7430    0.8960 H   0  0  0  0  0
   -9.5050   -1.7830   -0.9050 H   0  0  0  0  0
  -10.3760   -1.5750    0.6760 H   0  0  0  0  0
   -7.4880   -0.5670    1.7210 H   0  0  0  0  0
   -7.4180    1.2040    1.5600 H   0  0  0  0  0
   -3.1980   -2.0930    0.6640 H   0  0  0  0  0
   -5.4590    2.2930    0.6390 H   0  0  0  0  0
    1.2800    1.9460   -0.4110 H   0  0  0  0  0
    5.5650    0.4170   -1.4810 H   0  0  0  0  0
    5.4970   -1.3540   -1.3150 H   0  0  0  0  0
    5.7420    0.6410    0.9820 H   0  0  0  0  0
    5.6730   -1.1300    1.1480 H   0  0  0  0  0
    9.8010   -2.6620   -0.1030 H   0  0  0  0  0
  -12.8750    0.6640   -0.5280 H   0  0  0  0  0
  -11.5400   -0.7980   -1.8500 H   0  0  0  0  0
  -10.4330    1.7810   -1.1670 H   0  0  0  0  0
   -9.5450    0.5810   -2.2030 H   0  0  0  0  0
   -7.5480    0.8820   -0.8450 H   0  0  0  0  0
   -5.6250   -1.9520    1.0350 H   0  0  0  0  0
   -3.0310    2.1770    0.2690 H   0  0  0  0  0
    3.7070    1.8040   -0.7820 H   0  0  0  0  0
    8.2290    2.7190    0.1720 H   0  0  0  0  0
   11.0960   -0.6940   -0.2920 H   0  0  0  0  0
    3.5420   -2.4410   -0.3840 H   0  0  0  0  0
    1.1150   -2.3240   -0.0060 H   0  0  0  0  0
  1 15  1  0  0  0
  1 32  1  0  0  0
  2  1  1  0  0  0
  2 14  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3 16  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  6  1  0  0  0
  5 18  2  0  0  0
  5 37  1  0  0  0
  6 19  2  0  0  0
  6 38  1  0  0  0
  7 21  1  0  0  0
  8 21  2  0  0  0
  8 22  1  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10  9  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 29  1  0  0  0
 12 44  1  0  0  0
 13 45  1  0  0  0
 14 15  1  0  0  0
 14 13  1  0  0  0
 14 46  1  0  0  0
 15 47  1  0  0  0
 15 48  1  0  0  0
 16  1  1  0  0  0
 16 49  1  0  0  0
 17  4  2  0  0  0
 17  5  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 19 51  1  0  0  0
 20  7  3  0  0  0
 21 31  1  0  0  0
 22 23  2  0  0  0
 22 52  1  0  0  0
 23 30  1  0  0  0
 23  9  1  0  0  0
 24 11  2  0  0  0
 24 26  1  0  0  0
 25 24  1  0  0  0
 25 53  1  0  0  0
 26 28  1  0  0  0
 27 26  2  0  0  0
 28 12  1  0  0  0
 28 54  1  0  0  0
 29 12  2  0  0  0
 30 55  1  0  0  0
 31 30  2  0  0  0
 31 56  1  0  0  0
M  END
$$$$
