1AJ
  CCTOOLS-0919241033

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.5340    2.0010    0.8090 C   0  0  0  0  0
   -1.7530    1.8550   -0.1060 C   0  0  0  0  0
   -2.2270    0.4170   -0.0730 C   0  0  0  0  0
   -3.8180   -0.1350   -0.5800 S   0  0  0  0  0
   -3.4010   -1.7980   -0.1970 C   0  0  0  0  0
   -2.1570   -1.8500    0.2690 C   0  0  0  0  0
   -1.4930   -0.6300    0.3480 C   0  0  0  0  0
   -0.0680   -0.4790    0.8690 C   0  0  0  0  0
    0.3850    0.8820    0.5480 N   0  0  0  0  0
    1.6090    1.0990    0.0290 C   0  0  0  0  0
    1.9230    2.2130   -0.3420 O   0  0  0  0  0
    2.4850    0.0810   -0.0800 N   0  0  0  0  0
    3.5190   -0.0160   -0.9820 C   0  0  0  0  0
    4.1360   -1.1860   -0.7400 C   0  0  0  0  0
    3.5050   -1.7940    0.2780 N   0  0  0  0  0
    2.5190   -1.0460    0.6860 C   0  0  0  0  0
   -0.0300    2.9450    0.5990 H   0  0  0  0  0
   -2.5510    2.5100    0.2430 H   0  0  0  0  0
   -4.0560   -2.6480   -0.3200 H   0  0  0  0  0
   -1.6930   -2.7780    0.5670 H   0  0  0  0  0
   -0.0510   -0.6290    1.9480 H   0  0  0  0  0
    3.7840    0.7070   -1.7380 H   0  0  0  0  0
    4.9920   -1.5720   -1.2740 H   0  0  0  0  0
    1.8420   -1.2800    1.4940 H   0  0  0  0  0
   -0.8500    1.9790    1.8520 H   0  0  0  0  0
   -1.4790    2.1260   -1.1260 H   0  0  0  0  0
    0.5820   -1.2070    0.3840 H   0  0  0  0  0
  1  9  1  0  0  0
  1 17  1  0  0  0
  1 25  1  0  0  0
  2  1  1  0  0  0
  2 18  1  0  0  0
  2 26  1  0  0  0
  3  7  2  0  0  0
  3  2  1  0  0  0
  4  3  1  0  0  0
  5  4  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 23  1  0  0  0
 15 14  1  0  0  0
 16 12  1  0  0  0
 16 15  2  0  0  0
 16 24  1  0  0  0
M  END
$$$$