6JJ
  CCTOOLS-0919241041

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.1310   -1.1580   -1.2020 C   0  0  0  0  0
   -4.4100   -1.6810   -1.2050 C   0  0  0  0  0
   -1.1000    0.9710    0.0050 C   0  0  0  0  0
    2.6470   -1.2460    0.0050 N   0  0  0  0  0
   -2.2230    1.7830    0.0060 C   0  0  0  0  0
   -2.0830    3.1580    0.0040 C   0  0  0  0  0
    4.4840   -2.3960    0.0030 N   0  0  0  0  0
   -0.8230    3.7330   -0.0010 C   0  0  0  0  0
    0.3040    2.9370   -0.0030 C   0  0  0  0  0
    0.1760    1.5490    0.0060 C   0  0  0  0  0
    1.3800    0.6910    0.0030 C   0  0  0  0  0
    4.8130   -1.1520   -0.0060 N   0  0  0  0  0
    3.1850   -2.5150    0.0090 C   0  0  0  0  0
    3.7300   -0.4160   -0.0040 C   0  0  0  0  0
    1.4160   -0.6060    0.0120 N   0  0  0  0  0
    3.0710    1.2240   -0.0100 S   0  0  0  0  0
   -1.2360   -0.3800    0.0080 O   0  0  0  0  0
   -2.4940   -0.8940    0.0020 C   0  0  0  0  0
   -3.1430   -1.1560    1.2000 C   0  0  0  0  0
   -4.4220   -1.6790    1.1910 C   0  0  0  0  0
   -5.0550   -1.9400   -0.0100 C   0  0  0  0  0
   -2.6270   -0.9590   -2.1360 H   0  0  0  0  0
   -4.9070   -1.8860   -2.1420 H   0  0  0  0  0
   -3.2080    1.3420    0.0090 H   0  0  0  0  0
   -2.9600    3.7880    0.0040 H   0  0  0  0  0
   -0.7230    4.8080   -0.0030 H   0  0  0  0  0
    1.2850    3.3900   -0.0070 H   0  0  0  0  0
    2.6310   -3.4420    0.0170 H   0  0  0  0  0
   -2.6490   -0.9520    2.1380 H   0  0  0  0  0
   -4.9270   -1.8830    2.1240 H   0  0  0  0  0
   -6.0550   -2.3490   -0.0140 H   0  0  0  0  0
  1  2  2  0  0  0
  1 18  1  0  0  0
  1 22  1  0  0  0
  2 21  1  0  0  0
  2 23  1  0  0  0
  3 17  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  3  2  0  0  0
  5 24  1  0  0  0
  6  5  1  0  0  0
  6 25  1  0  0  0
  7 12  1  0  0  0
  8  6  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10  3  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 13  7  2  0  0  0
 13 28  1  0  0  0
 14 12  2  0  0  0
 15 11  2  0  0  0
 15  4  1  0  0  0
 16 14  1  0  0  0
 18 17  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 29  1  0  0  0
 20 30  1  0  0  0
 21 20  2  0  0  0
 21 31  1  0  0  0
M  END
$$$$
