NCI:701673
BBtclserve11129920302D 0   0.00000     0.00000248774
Corina 01.500030  20.12.1994
 19 20  0  0  0  0  0  0  0  0  1 V2000
    5.4244    1.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9336    0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4336   -0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1656    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976   -0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564    0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6878    2.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9068   -0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6139   -1.1037    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9068   -1.8108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3210   -0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3210   -1.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0281   -2.5179    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0281   -1.1037    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6139   -2.5179    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3043    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1748   -1.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088   -1.6554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 18 19  1  0  0  0  0
M  END