VHR
  CCTOOLS-0807261402

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0760   -0.0650    1.5790 C   0  0  0  0  0
    1.4330   -1.3450   -0.1810 C   0  0  0  0  0
    3.0680    2.2280   -1.5470 C   0  5  0  0  0
    1.6360    3.5520    0.2020 C   0  5  0  0  0
    0.4430    2.7030   -1.9850 C   0  6  0  0  0
   -2.0910    2.2180   -1.6560 C   0  5  0  0  0
    1.4910    1.9820   -0.6870 FE  0  0  0  0  0
   -0.6580    1.1320   -1.7270 FE  0  0  0  0  0
   -0.3680    1.3780    0.5860 S   0  5  0  0  0
    1.2790   -0.1750   -1.5500 S   0  5  0  0  0
    4.1290    2.3940   -2.1250 O   0  3  0  0  0
    1.7350    4.6360    0.8160 N   0  0  0  0  0
    0.8050    3.2040   -3.0420 O   0  0  0  0  0
   -0.7250    0.5820   -4.7300 N   0  0  0  0  0
   -3.0630    2.9550   -1.6080 O   0  3  0  0  0
   -0.6980    0.8070   -3.5010 C   0  5  0  0  0
    0.2740   -1.2410    0.7180 N   0  0  0  0  0
   -1.8530   -0.3690   -1.5140 C   0  5  0  0  0
   -2.6270   -1.3410   -1.3760 N   0  0  0  0  0
    0.8940    0.1250    2.0680 H   0  0  0  0  0
   -0.6380   -0.2450    2.2120 H   0  0  0  0  0
    1.4840   -2.2460   -0.5390 H   0  0  0  0  0
    2.2490   -1.1520    0.3120 H   0  0  0  0  0
    0.1930   -2.0180    1.2200 H   0  0  0  0  0
  1  9  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2 17  1  0  0  0
  2 10  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  7  1  0  0  0
  4 12  3  0  0  0
  5 13  2  0  0  0
  6 15  3  0  0  0
  7  9  1  0  0  0
  7  4  1  0  0  0
  7  5  1  0  0  0
  8  5  1  0  0  0
  8 16  1  0  0  0
  8  6  1  0  0  0
  9  8  1  0  0  0
 10  7  1  0  0  0
 10  8  1  0  0  0
 11  3  3  0  0  0
 16 14  3  0  0  0
 17  1  1  0  0  0
 17 24  1  0  0  0
 18  8  1  0  0  0
 19 18  3  0  0  0
M  CHG  1   3  -1
M  CHG  1   4  -1
M  CHG  1   5  -2
M  CHG  1   6  -1
M  CHG  1   9  -1
M  CHG  1  10  -1
M  CHG  1  11   1
M  CHG  1  15   1
M  CHG  1  16  -1
M  CHG  1  18  -1
M  END
$$$$
