A1JBG
  CCTOOLS-0501261012

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.5550    2.7300    0.0030 C   0  0  0  0  0
    1.8060    0.4740   -0.0010 C   0  0  0  0  0
    1.1510   -1.8530    0.0000 C   0  0  0  0  0
    0.8020   -0.5020   -0.0010 C   0  0  0  0  0
   -0.6210   -0.1030   -0.0000 C   0  0  0  0  0
   -3.0740    0.2100    0.0020 C   0  0  0  0  0
    1.4770    1.7910    0.0040 O   0  0  0  0  0
    3.1370    0.0900   -0.0010 C   0  0  0  0  0
    3.4710   -1.2520   -0.0000 C   0  0  0  0  0
    2.4810   -2.2190    0.0000 C   0  0  0  0  0
   -1.0760    1.1180   -0.0060 N   0  0  0  0  0
   -2.3260    1.2780   -0.0050 N   0  0  0  0  0
   -4.4590    0.1830    0.0040 N   0  0  0  0  0
   -2.0070   -1.1960    0.0010 S   0  0  0  0  0
    3.1690    2.5780    0.8900 H   0  0  0  0  0
    3.1630    2.5830   -0.8900 H   0  0  0  0  0
    2.1540    3.7430    0.0070 H   0  0  0  0  0
   -4.9280   -0.6660    0.0040 H   0  0  0  0  0
   -4.9610    1.0140    0.0040 H   0  0  0  0  0
    0.3820   -2.6110    0.0010 H   0  0  0  0  0
    3.9150    0.8390   -0.0010 H   0  0  0  0  0
    4.5100   -1.5460   -0.0010 H   0  0  0  0  0
    2.7510   -3.2650    0.0010 H   0  0  0  0  0
  1  7  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  2  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  5 14  1  0  0  0
  5 11  2  0  0  0
  6 13  1  0  0  0
  6 14  1  0  0  0
  7  2  1  0  0  0
  8  9  2  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10  3  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 12  6  2  0  0  0
 13 18  1  0  0  0
 13 19  1  0  0  0
M  END
$$$$
