A1DOE
  CCTOOLS-0731261037

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.9240   -2.1450    0.4970 C   0  0  0  0  0
    2.8970   -2.4130   -0.3960 C   0  0  0  0  0
    2.0650   -1.4010   -0.8280 C   0  0  0  0  0
    2.2580   -0.1070   -0.3650 C   0  0  0  0  0
    3.2990    0.1640    0.5400 C   0  0  0  0  0
    4.1300   -0.8770    0.9630 C   0  0  0  0  0
    3.2490    1.4930    0.8130 N   0  0  0  0  0
    2.2710    2.0390    0.1520 C   0  0  0  0  0
    1.6260    1.0990   -0.5910 N   0  0  0  0  0
    0.4750    1.3250   -1.4680 C   0  0  0  0  0
   -0.7960    1.0270   -0.7150 C   0  0  0  0  0
   -1.4030    1.9270    0.0640 C   0  0  0  0  0
   -2.8410    1.1710    0.7480 S   0  0  0  0  0
   -2.4830   -0.2800   -0.0830 C   0  0  0  0  0
   -3.3120   -1.5360   -0.0200 C   0  0  0  0  0
   -4.7660   -1.4480   -0.4880 C   0  0  0  0  0
   -4.4490   -1.5820    1.0030 C   0  0  0  0  0
   -1.4030   -0.1410   -0.7760 N   0  0  0  0  0
    4.5650   -2.9470    0.8310 H   0  0  0  0  0
    2.7470   -3.4200   -0.7550 H   0  0  0  0  0
    1.2670   -1.6150   -1.5230 H   0  0  0  0  0
    4.9320   -0.6790    1.6580 H   0  0  0  0  0
    2.0090    3.0860    0.1870 H   0  0  0  0  0
    0.4670    2.3650   -1.7970 H   0  0  0  0  0
    0.5450    0.6700   -2.3360 H   0  0  0  0  0
   -1.0710    2.9390    0.2440 H   0  0  0  0  0
   -2.7750   -2.4640   -0.2190 H   0  0  0  0  0
   -5.1230   -0.4800   -0.8410 H   0  0  0  0  0
   -5.1860   -2.3170   -0.9940 H   0  0  0  0  0
   -4.6600   -2.5410    1.4780 H   0  0  0  0  0
   -4.5970   -0.7040    1.6300 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 18  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 18  2  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 27  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
M  END
$$$$
