NCI:698988
BBtclserve11129920292D 0   0.00000     0.00000248032
Corina 01.500030  20.12.1994
 17 17  0  0  0  0  0  0  0  0  1 V2000
    4.9444    0.8144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    1.7655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4444    2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534    1.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4444    3.3533    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4444    4.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4444    3.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4444    3.3533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634   -0.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3566    0.0054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579   -1.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -3.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -4.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END