VHR
  CCTOOLS-0919241044

 24 26  0  0  0  0  0  0  0  0999 V2000
  -27.7330    3.3300   39.6020 C   0  0  0  0  0
  -30.0560    3.8700   38.6550 C   0  0  0  0  0
  -29.8460    7.6390   40.9850 C   0  5  0  0  0
  -27.5500    7.0630   41.9080 C   0  5  0  0  0
  -29.5730    6.0090   42.7630 C   0  0  0  0  0
  -28.9910    3.7980   43.7790 C   0  5  0  0  0
  -28.8880    6.2060   40.9920 FE  0  3  0  0  0
  -29.7480    4.1160   42.2170 FE  0  3  0  0  0
  -27.6980    4.2790   41.2150 S   0  0  0  0  0
  -30.5660    4.8630   40.1950 S   0  0  0  0  0
  -30.6130    8.5790   40.8000 O   0  3  0  0  0
  -26.6200    7.6110   42.4820 N   0  0  0  0  0
  -29.8120    6.6300   43.7510 O   0  0  0  0  0
  -32.6090    4.2950   43.2880 N   0  0  0  0  0
  -28.5570    3.4400   44.8120 O   0  3  0  0  0
  -31.5350    4.1290   42.9290 C   0  5  0  0  0
  -29.0680    2.8530   39.1170 N   0  0  0  0  0
  -30.0240    2.3190   41.7130 C   0  5  0  0  0
  -30.1460    1.2210   41.3730 N   0  0  0  0  0
  -27.0900    2.4460   39.7240 H   0  0  0  0  0
  -27.3130    3.9840   38.8240 H   0  0  0  0  0
  -29.5970    4.5350   37.9090 H   0  0  0  0  0
  -30.9340    3.3750   38.2140 H   0  0  0  0  0
  -29.4930    2.3470   39.8680 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   6  -1
M  CHG  1   7   1
M  CHG  1   8   1
M  CHG  1  11   1
M  CHG  1  15   1
M  CHG  1  16  -1
M  CHG  1  18  -1
M  END
$$$$