188
  CCTOOLS-0807261401

 36 41  0  0  1  0  0  0  0  0999 V2000
    2.3280    1.5290    1.7230 S   0  0  0  0  0
   -3.0070    1.6060    1.8660 S   0  0  0  0  0
    0.5900   -0.0350   -2.2490 O   0  5  0  0  0
    0.3660    0.5660    0.3290 N   0  0  0  0  0
   -1.9290   -0.6260    0.8070 N   0  0  0  0  0
    1.8360    0.0310   -2.0930 C   0  0  0  0  0
    2.6380   -0.3020   -3.2180 C   0  0  0  0  0
    4.0130   -0.2430   -3.1340 C   0  0  0  0  0
    4.6160    0.1490   -1.9630 C   0  0  0  0  0
    3.8510    0.4870   -0.8580 C   0  0  0  0  0
    2.4460    0.4560   -0.8850 C   0  0  0  0  0
    1.6130    0.7980    0.2800 C   0  0  0  0  0
    0.7590    1.2550    2.5820 C   0  0  0  0  0
   -0.2990    1.2040    1.4840 C   0  0  0  0  0
   -1.5920    0.4440    1.8020 C   0  0  0  0  0
   -3.5140    1.1680    0.1990 C   0  0  0  0  0
   -3.1980   -0.3440    0.0850 C   0  0  0  0  0
   -1.8230   -2.0080    1.3000 C   0  0  0  0  0
   -3.0930   -0.7370   -1.3980 C   0  0  0  0  0
   -4.0380   -1.3970   -1.8870 O   0  0  0  0  0
   -2.0650   -0.3690   -2.0130 O   0  5  0  0  0
   -0.5010   -0.8630   -0.8570 FE  0  0  0  0  0
    2.2240   -0.5700   -4.0190 H   0  0  0  0  0
    4.5390   -0.4720   -3.8840 H   0  0  0  0  0
    5.5570    0.1880   -1.9100 H   0  0  0  0  0
    4.2890    0.7510   -0.0690 H   0  0  0  0  0
    0.5760    1.9800    3.2000 H   0  0  0  0  0
    0.7880    0.4220    3.0800 H   0  0  0  0  0
   -0.5320    2.1290    1.2280 H   0  0  0  0  0
   -1.5170    0.0540    2.7200 H   0  0  0  0  0
   -3.0100    1.6900   -0.4550 H   0  0  0  0  0
   -4.4690    1.3360    0.0810 H   0  0  0  0  0
   -3.9440   -0.8370    0.5040 H   0  0  0  0  0
   -0.9280   -2.1660    1.6370 H   0  0  0  0  0
   -1.9970   -2.6310    0.5780 H   0  0  0  0  0
   -2.4640   -2.1560    2.0130 H   0  0  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  6  1  0  0  0
  3 22  1  0  0  0
  4 12  2  0  0  0
  4 14  1  0  0  0
  4 22  1  0  0  0
  5 15  1  0  0  0
  5 17  1  0  0  0
  5 18  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 19  1  0  0  0
 17 33  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 21 22  1  0  0  0
M  CHG  1   3  -1
M  CHG  1  21  -1
M  END
$$$$
