NFO
  CCTOOLS-0807261403

  9  8  0  0  0  0  0  0  0  0999 V2000
   -2.8180    0.0310   -0.0280 NI  0  0  0  0  0
   -0.5070   -0.4980   -0.9940 FE  0  0  0  0  0
    0.6060   -1.8550   -0.5940 C   0  5  0  0  0
    0.5090    0.6230   -0.0190 C   0  5  0  0  0
    1.3610   -2.7740   -0.3230 O   0  3  0  0  0
    1.2150    1.4020    0.6570 N   0  0  0  0  0
    1.1430    0.1340   -3.4430 O   0  3  0  0  0
    0.4760   -0.1210   -2.4530 C   0  5  0  0  0
   -1.7630    1.0320   -1.4450 O   0  6  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  5  3  0  0  0
  4  6  3  0  0  0
  7  8  3  0  0  0
M  CHG  1   3  -1
M  CHG  1   4  -1
M  CHG  1   5   1
M  CHG  1   7   1
M  CHG  1   8  -1
M  CHG  1   9  -2
M  END
$$$$
