A1CQ3
  CCTOOLS-0605261016

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.2430    0.9840    0.7460 C   0  0  0  0  0
    3.3060    0.6550    0.1610 C   0  0  0  0  0
    7.3260    1.4010   -0.0420 C   0  0  0  0  0
   -5.3190    1.3090   -0.1760 P   0  0  0  0  0
    5.7160    1.9270    0.5950 S   0  0  0  0  0
    4.6910    0.6620   -0.0780 C   0  0  0  0  0
    2.4530    1.4520    0.8490 N   0  0  0  0  0
    2.5410   -0.3820   -0.3990 C   0  0  0  0  0
    1.2460   -0.1500   -0.0110 N   0  0  0  0  0
    0.0790   -0.9670   -0.3520 C   0  0  0  0  0
   -0.1100   -2.0940    0.6880 C   0  0  0  0  0
    0.4380   -3.3210    0.2010 O   0  0  0  0  0
   -1.6430   -2.2100    0.8410 C   0  0  0  0  0
   -2.0880   -3.5120    0.4550 O   0  0  0  0  0
   -2.1990   -1.1390   -0.1230 C   0  0  0  0  0
   -3.4370   -0.4710    0.4790 C   0  0  0  0  0
   -4.0020    0.4310   -0.4740 O   0  0  0  0  0
   -6.5830    0.3310    0.0180 O   0  0  0  0  0
   -5.1150    2.1020    1.0560 O   0  0  0  0  0
   -5.5930    2.3020   -1.4140 O   0  0  0  0  0
   -1.1290   -0.1800   -0.2660 O   0  0  0  0  0
    3.1490   -1.3110   -1.1300 N   0  0  0  0  0
    4.4500   -1.2630   -1.3300 C   0  0  0  0  0
    5.2100   -0.3090   -0.8230 N   0  0  0  0  0
    0.3680    1.4250    1.1980 H   0  0  0  0  0
    7.5540    0.4010    0.3290 H   0  0  0  0  0
    7.2980    1.3860   -1.1320 H   0  0  0  0  0
    8.0940    2.0970    0.2920 H   0  0  0  0  0
    0.1890   -1.3860   -1.3520 H   0  0  0  0  0
    0.3520   -1.8200    1.6360 H   0  0  0  0  0
    0.3470   -4.0630    0.8140 H   0  0  0  0  0
   -1.9410   -1.9920    1.8670 H   0  0  0  0  0
   -1.7210   -4.2280    0.9900 H   0  0  0  0  0
   -2.4400   -1.5860   -1.0880 H   0  0  0  0  0
   -4.1710   -1.2330    0.7390 H   0  0  0  0  0
   -3.1520    0.0800    1.3760 H   0  0  0  0  0
   -6.7760   -0.2200   -0.7530 H   0  0  0  0  0
   -6.3730    2.8620   -1.3030 H   0  0  0  0  0
    4.9130   -2.0330   -1.9290 H   0  0  0  0  0
  1 25  1  0  0  0
  2  7  1  0  0  0
  3  5  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4 18  1  0  0  0
  4 20  1  0  0  0
  6  2  2  0  0  0
  6  5  1  0  0  0
  7  1  2  0  0  0
  8  2  1  0  0  0
  8  9  1  0  0  0
  9  1  1  0  0  0
 10 21  1  0  0  0
 10  9  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 10  1  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 13 11  1  0  0  0
 13 15  1  0  0  0
 13 32  1  0  0  0
 14 13  1  0  0  0
 14 33  1  0  0  0
 15 21  1  0  0  0
 15 34  1  0  0  0
 16 15  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17  4  1  0  0  0
 18 37  1  0  0  0
 19  4  2  0  0  0
 20 38  1  0  0  0
 22  8  2  0  0  0
 23 24  2  0  0  0
 23 22  1  0  0  0
 23 39  1  0  0  0
 24  6  1  0  0  0
M  END
$$$$
