ChEBI


 17 18  0  0  0  0  0  0  0  0  2 V2000
    3.9479   -3.8822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9479   -2.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6179   -2.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332   -2.2079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6179   -3.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6775   -4.8226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128   -2.1412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9946   -3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128   -4.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012   -5.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4661   -4.7721    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9247   -6.4840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -2.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -3.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019   -1.2451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -1.2675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9363   -5.5941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  2 15  1  6  0  0  0
  3 16  1  6  0  0  0
  9 17  1  0  0  0  0
M  CHG  1  11  -1
M  END