V8M
  CCTOOLS-0410261002

 52 54  0  0  1  0  0  0  0  0999 V2000
    3.1030    0.4730   -1.0000 C   0  0  0  0  0
    6.7350    1.2590    0.0860 C   0  0  0  0  0
    7.4130   -0.0050    1.8720 C   0  0  0  0  0
   -6.3680    0.4380   -0.4440 C   0  0  0  0  0
   -7.0300   -1.8600    0.9510 C   0  0  0  0  0
   -5.8410   -1.8000    0.2380 C   0  0  0  0  0
   -5.5120   -0.6470   -0.4610 C   0  0  0  0  0
   -4.2220   -0.5780   -1.2370 C   0  0  0  0  0
   -3.0660   -0.2810   -0.2790 C   0  0  0  0  0
   -0.6530    0.0370   -0.3930 C   0  0  0  0  0
    0.6370    0.1060   -1.1690 C   0  0  0  0  0
    1.7930    0.4030   -0.2120 C   0  0  0  0  0
    4.2590    0.7690   -0.0420 C   0  0  0  0  0
    5.5680    0.8390   -0.8300 C   0  0  0  0  0
    8.0410    0.5350   -0.2640 C   0  0  0  0  0
    7.8750   -0.4380   -1.4470 C   0  0  0  0  0
   -7.5520    0.3750    0.2670 C   0  0  0  0  0
   -7.8820   -0.7730    0.9640 C   0  0  0  0  0
   -1.8120   -0.2140   -1.0330 N   0  0  0  0  0
    6.4480    0.8300    1.4640 N   0  0  0  0  0
    8.3610   -0.2290    0.9520 N   0  0  0  0  0
   -8.4670    1.5380    0.2830 N   0  3  0  0  0
   -5.0010   -2.8680    0.2230 O   0  0  0  0  0
    7.4270   -0.5130    2.9760 O   0  0  0  0  0
   -0.6480    0.2080    0.8080 O   0  0  0  0  0
   -8.1770    2.5490   -0.3300 O   0  0  0  0  0
   -9.5100    1.4840    0.9100 O   0  5  0  0  0
    6.0790   -0.8350   -1.3950 S   0  0  0  0  0
    3.2790   -0.4810   -1.4970 H   0  0  0  0  0
    3.0360    1.2650   -1.7450 H   0  0  0  0  0
    6.8780    2.3390    0.0430 H   0  0  0  0  0
   -6.1090    1.3370   -0.9840 H   0  0  0  0  0
   -7.2890   -2.7570    1.4950 H   0  0  0  0  0
   -4.0460   -1.5310   -1.7350 H   0  0  0  0  0
   -4.2880    0.2150   -1.9820 H   0  0  0  0  0
   -3.2420    0.6720    0.2190 H   0  0  0  0  0
   -3.0000   -1.0740    0.4670 H   0  0  0  0  0
    0.8130   -0.8470   -1.6670 H   0  0  0  0  0
    0.5710    0.8990   -1.9150 H   0  0  0  0  0
    1.8590   -0.3900    0.5340 H   0  0  0  0  0
    1.6170    1.3560    0.2860 H   0  0  0  0  0
    4.0830    1.7220    0.4560 H   0  0  0  0  0
    4.3250   -0.0230    0.7030 H   0  0  0  0  0
    5.4740    1.5230   -1.6740 H   0  0  0  0  0
    8.8290    1.2590   -0.4730 H   0  0  0  0  0
    8.1360    0.0470   -2.3870 H   0  0  0  0  0
    8.4730   -1.3370   -1.2950 H   0  0  0  0  0
   -8.8070   -0.8190    1.5190 H   0  0  0  0  0
   -1.8160   -0.3510   -1.9940 H   0  0  0  0  0
    5.6830    1.1070    1.9910 H   0  0  0  0  0
    9.1340   -0.8030    1.0690 H   0  0  0  0  0
   -5.1710   -3.4920   -0.4950 H   0  0  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  2 20  1  0  0  0
  2 31  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 24  2  0  0  0
  4  7  2  0  0  0
  4 17  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 18  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 19  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 10 25  2  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 28  1  0  0  0
 14 44  1  0  0  0
 15 21  1  0  0  0
 15 45  1  0  0  0
 15 16  1  0  0  0
 16 28  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 48  1  0  0  0
 19 49  1  0  0  0
 20 50  1  0  0  0
 21 51  1  0  0  0
 22 26  2  0  0  0
 22 27  1  0  0  0
 23 52  1  0  0  0
M  CHG  1  22   1
M  CHG  1  27  -1
M  END
$$$$
