I77
  CCTOOLS-0424261114

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.3620    0.9910    0.0050 C   0  0  0  0  0
    3.0520   -0.2240    0.0070 C   0  0  0  0  0
    4.5300   -0.2460    0.0090 C   0  0  0  0  0
    2.3250   -1.4210    0.0060 C   0  0  0  0  0
    0.9440   -1.3500    0.0040 C   0  0  0  0  0
   -5.3560    0.1320   -0.0050 C   0  0  0  0  0
   -3.8780    0.1100   -0.0030 C   0  0  0  0  0
   -3.1500    1.3070    0.0040 C   0  0  0  0  0
   -1.7700    1.2360    0.0050 C   0  0  0  0  0
   -3.1880   -1.1040   -0.0010 C   0  0  0  0  0
   -1.1530   -0.0140    0.0010 C   0  0  0  0  0
    0.3270   -0.1000    0.0030 C   0  0  0  0  0
   -6.0480   -1.0250   -0.0110 N   0  0  0  0  0
   -1.8740   -1.1290    0.0000 N   0  0  0  0  0
    1.0480    1.0160    0.0030 N   0  0  0  0  0
    5.2210    0.9110    0.0090 N   0  0  0  0  0
    6.5870    0.8910    0.0120 N   0  0  0  0  0
    5.1220   -1.3080    0.0110 O   0  0  0  0  0
   -5.9480    1.1940   -0.0010 O   0  0  0  0  0
    2.9140    1.9190    0.0090 H   0  0  0  0  0
    2.8290   -2.3750    0.0070 H   0  0  0  0  0
    0.3510   -2.2520    0.0040 H   0  0  0  0  0
   -3.6550    2.2620    0.0070 H   0  0  0  0  0
   -1.1770    2.1380    0.0100 H   0  0  0  0  0
   -3.7400   -2.0320   -0.0020 H   0  0  0  0  0
   -7.0170   -1.0110   -0.0130 H   0  0  0  0  0
   -5.5750   -1.8720   -0.0140 H   0  0  0  0  0
    4.7490    1.7580    0.0080 H   0  0  0  0  0
    6.9420    0.3590   -0.7690 H   0  0  0  0  0
    6.9630    1.8270    0.0110 H   0  0  0  0  0
  1 15  2  0  0  0
  1 20  1  0  0  0
  2  4  2  0  0  0
  2  1  1  0  0  0
  3  2  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5 12  2  0  0  0
  5 22  1  0  0  0
  6 13  1  0  0  0
  6 19  2  0  0  0
  7  6  1  0  0  0
  8  7  1  0  0  0
  8 23  1  0  0  0
  9  8  2  0  0  0
  9 24  1  0  0  0
 10  7  2  0  0  0
 10 25  1  0  0  0
 11 14  2  0  0  0
 11  9  1  0  0  0
 12 11  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 10  1  0  0  0
 15 12  1  0  0  0
 16  3  1  0  0  0
 16 28  1  0  0  0
 17 16  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 18  3  2  0  0  0
M  END
$$$$
