HMDB0031186
     RDKit          3D
N-Nitrosothialdine
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.0434   -0.1468   -0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344    0.1478    0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252    1.4939    0.4145 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222    1.2400    0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347    2.1764   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3037   -0.0843    0.2934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -0.1628    0.0216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.1794    1.0466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257   -1.3236    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4647   -2.0091   -0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553   -1.3184    1.1959 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -0.4830   -0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7104   -0.9570    0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029    0.8166   -0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.4332    1.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129    1.6327    1.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4528    2.5026   -0.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219    3.0995   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    1.6988   -1.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2813   -2.0147    0.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -1.3319   -1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842   -2.9055   -1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888   -2.3252   -1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  5 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
 10 23  1  0
M  END