A1IG8
  CCTOOLS-0807261401

 36 41  0  0  1  0  0  0  0  0999 V2000
    0.0870   -0.3510   -0.4410 N   0  0  0  0  0
    4.5440    1.3010    0.5620 C   0  0  0  0  0
    3.5430    0.3440    0.6280 C   0  0  0  0  0
    2.3300    0.4790   -0.0720 C   0  0  0  0  0
   -0.1660   -2.4990    0.5790 C   0  0  0  0  0
   -2.1680   -1.3190   -0.7120 C   0  0  0  0  0
   -2.9530    0.8570    0.2130 C   0  0  0  0  0
    2.1580    1.6630   -0.8340 C   0  0  0  0  0
    1.1370    1.9290   -1.5220 O   0  5  0  0  0
    1.6020   -2.1330    0.6830 S   0  0  0  0  0
    3.2010    2.6280   -0.8930 C   0  0  0  0  0
   -2.4230    0.1320   -0.9740 N   0  0  0  0  0
   -3.3040   -1.7520    0.6660 S   0  0  0  0  0
    4.3730    2.4340   -0.1930 C   0  0  0  0  0
    1.2640   -0.5340    0.0080 C   0  0  0  0  0
   -0.6670   -1.6190   -0.5610 C   0  0  0  0  0
   -3.1920   -0.1160    1.4000 C   0  0  0  0  0
   -3.1300    0.4450   -2.2240 C   0  0  0  0  0
   -1.9420    1.9430    0.6140 C   0  0  0  0  0
   -0.7320    1.6270    0.5410 O   0  5  0  0  0
   -2.3880    3.0550    0.9770 O   0  0  0  0  0
   -0.6090    1.0640   -1.3130 FE  0  0  0  0  0
    5.3460    1.1720    1.0410 H   0  0  0  0  0
    3.6870   -0.4210    1.1540 H   0  0  0  0  0
   -0.3130   -3.4380    0.3820 H   0  0  0  0  0
   -0.6040   -2.2810    1.4160 H   0  0  0  0  0
   -2.4610   -1.8730   -1.4910 H   0  0  0  0  0
   -3.8180    1.2810   -0.0010 H   0  0  0  0  0
    3.0830    3.4040   -1.4120 H   0  0  0  0  0
    5.0560    3.0840   -0.2340 H   0  0  0  0  0
   -0.4040   -2.0440   -1.4130 H   0  0  0  0  0
   -2.4600   -0.0920    2.0480 H   0  0  0  0  0
   -4.0270    0.1020    1.8570 H   0  0  0  0  0
   -2.6460    0.0690   -2.9760 H   0  0  0  0  0
   -3.1870    1.4060   -2.3410 H   0  0  0  0  0
   -4.0250    0.0710   -2.2010 H   0  0  0  0  0
  1 15  2  0  0  0
  2 14  1  0  0  0
  2 23  1  0  0  0
  3  2  2  0  0  0
  3 24  1  0  0  0
  4  8  2  0  0  0
  4  3  1  0  0  0
  5 10  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6 13  1  0  0  0
  6 16  1  0  0  0
  6 12  1  0  0  0
  6 27  1  0  0  0
  7 19  1  0  0  0
  7 28  1  0  0  0
  8 11  1  0  0  0
  9  8  1  0  0  0
 10 15  1  0  0  0
 11 14  2  0  0  0
 11 29  1  0  0  0
 12 22  1  0  0  0
 12  7  1  0  0  0
 13 17  1  0  0  0
 14 30  1  0  0  0
 15  4  1  0  0  0
 16  5  1  0  0  0
 16  1  1  0  0  0
 16 31  1  0  0  0
 17  7  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 18 12  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 21  2  0  0  0
 20 19  1  0  0  0
 22  1  1  0  0  0
 22  9  1  0  0  0
 22 20  1  0  0  0
M  CHG  1   9  -1
M  CHG  1  20  -1
M  END
$$$$
