A1I36
  CCTOOLS-0619261019

 52 55  0  0  1  0  0  0  0  0999 V2000
   -2.3910   -0.2120    0.6440 N   0  0  0  0  0
   -1.0620   -0.0190    1.0220 C   0  0  0  0  0
   -0.7560    0.3840    2.3230 C   0  0  0  0  0
    0.5760    0.5570    2.6520 C   0  0  0  0  0
    1.5310    0.3170    1.6630 C   0  0  0  0  0
    1.1480   -0.0630    0.4550 N   0  0  0  0  0
   -0.0880   -0.2230    0.1500 N   0  0  0  0  0
    2.8880    0.4780    1.9470 N   0  0  0  0  0
    3.8320    0.2410    0.9670 C   0  0  0  0  0
    5.5680    0.4040    1.1860 S   0  0  0  0  0
    5.8380   -0.0790   -0.4870 C   0  0  0  0  0
    4.5970   -0.3250   -1.0820 C   0  0  0  0  0
    3.5650   -0.1380   -0.2360 N   0  0  0  0  0
    4.5690   -0.7290   -2.4330 C   0  0  0  0  0
    5.7360   -0.8730   -3.1400 C   0  0  0  0  0
    6.9610   -0.6250   -2.5380 C   0  0  0  0  0
    7.0130   -0.2300   -1.2200 C   0  0  0  0  0
    0.9840    0.9910    4.0360 C   0  0  0  0  0
   -3.0480   -1.4940    0.9070 C   0  0  0  0  0
   -2.8460   -2.4260   -0.2900 C   0  0  0  0  0
   -3.5330   -3.7650   -0.0150 C   0  0  0  0  0
   -3.4390   -4.6510   -1.2590 C   0  0  0  0  0
   -4.1790   -5.8540   -1.0440 O   0  0  0  0  0
   -2.8880   -4.4150    1.0820 O   0  0  0  0  0
   -3.0900    0.8120    0.0250 C   0  0  0  0  0
   -2.6450    2.0130   -0.1660 N   0  0  0  0  0
   -3.4850    2.8500   -0.7850 C   0  0  0  0  0
   -3.1360    4.2470   -1.0790 C   0  0  0  0  0
   -1.9290    4.7300   -0.7200 O   0  0  0  0  0
   -3.9350    4.9680   -1.6450 O   0  0  0  0  0
   -4.6770    2.3150   -1.1220 C   0  0  0  0  0
   -4.7180    0.6780   -0.6300 S   0  0  0  0  0
   -1.5360    0.5560    3.0500 H   0  0  0  0  0
    3.1680    0.7570    2.8330 H   0  0  0  0  0
    3.6230   -0.9260   -2.9150 H   0  0  0  0  0
    5.7010   -1.1830   -4.1740 H   0  0  0  0  0
    7.8740   -0.7430   -3.1030 H   0  0  0  0  0
    7.9670   -0.0370   -0.7530 H   0  0  0  0  0
    1.0270    2.0790    4.0780 H   0  0  0  0  0
    0.2550    0.6280    4.7610 H   0  0  0  0  0
    1.9660    0.5800    4.2720 H   0  0  0  0  0
   -2.6150   -1.9490    1.7980 H   0  0  0  0  0
   -4.1140   -1.3310    1.0640 H   0  0  0  0  0
   -3.2800   -1.9710   -1.1810 H   0  0  0  0  0
   -1.7800   -2.5890   -0.4470 H   0  0  0  0  0
   -4.5810   -3.5930    0.2290 H   0  0  0  0  0
   -3.8510   -4.1190   -2.1160 H   0  0  0  0  0
   -2.3950   -4.8970   -1.4520 H   0  0  0  0  0
   -4.1630   -6.4650   -1.7940 H   0  0  0  0  0
   -1.9510   -4.6000    0.9340 H   0  0  0  0  0
   -1.7450    5.6550   -0.9340 H   0  0  0  0  0
   -5.4780    2.8360   -1.6250 H   0  0  0  0  0
  1 25  1  0  0  0
  2  7  2  0  0  0
  2  1  1  0  0  0
  3  2  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  3  2  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  8  9  1  0  0  0
  8  5  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
 11 17  1  0  0  0
 11 10  1  0  0  0
 12 11  2  0  0  0
 13 12  1  0  0  0
 13  9  2  0  0  0
 14 15  2  0  0  0
 14 12  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 38  1  0  0  0
 18  4  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19  1  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 19  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 24  1  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 21  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 25 32  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 29 51  1  0  0  0
 30 28  2  0  0  0
 31 27  2  0  0  0
 31 52  1  0  0  0
 32 31  1  0  0  0
M  END
$$$$
