4WX
  CCTOOLS-0807261402

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0620    4.4320    0.9590 O   0  3  0  0  0
   -0.3340    3.4560    0.8880 C   0  5  0  0  0
    0.7210    2.0380    0.7840 FE  0  0  0  0  0
    0.4840    1.9680   -0.9970 C   0  6  0  0  0
    1.1230    2.5420   -1.8690 O   0  0  0  0  0
    2.1420    3.1010    0.7480 C   0  5  0  0  0
    3.1400    3.8540    0.7230 N   0  0  0  0  0
   -1.0640    0.7170    1.0230 S   0  5  0  0  0
    2.0500    0.2530    0.6230 S   0  5  0  0  0
    0.2330    0.1790   -0.8350 FE  0  0  0  0  0
    1.3290   -0.3240   -2.1880 C   0  5  0  0  0
    2.0670   -0.6640   -3.0980 O   0  3  0  0  0
   -1.2290    0.2330   -1.9010 C   0  5  0  0  0
   -2.2390    0.2700   -2.6370 N   0  0  0  0  0
    1.8620   -0.9190    1.9820 C   0  0  0  0  0
    0.2840   -1.7600    1.8540 S   0  0  0  0  0
   -0.8630   -0.4780    2.3590 C   0  0  0  0  0
    1.9080   -0.4390    2.8250 H   0  0  0  0  0
    2.5810   -1.5710    1.9400 H   0  0  0  0  0
   -1.7250   -0.8750    2.5640 H   0  0  0  0  0
   -0.5180   -0.0220    3.1450 H   0  0  0  0  0
  1  2  3  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  6  7  3  0  0  0
  8 10  1  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  3  0  0  0
 13 14  3  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 20  1  0  0  0
 17 21  1  0  0  0
M  CHG  1   1   1
M  CHG  1   2  -1
M  CHG  1   4  -2
M  CHG  1   6  -1
M  CHG  1   8  -1
M  CHG  1   9  -1
M  CHG  1  11  -1
M  CHG  1  12   1
M  CHG  1  13  -1
M  END
$$$$
