HMDB0256448
     RDKit          3D
Phenylthiourea
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.6732   -0.0055   -0.0094 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3129   -0.4752   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846   -1.9461   -0.7665 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.3980    0.1569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1192    0.1539    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259   -1.0780    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094   -1.1731   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136   -0.0667   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3116    1.1662   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    1.2624    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9578    0.1812    0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    0.1415   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    1.3701    0.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1124   -1.9547    0.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5315   -2.1590   -0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0015   -0.1438   -0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9020    2.0647   -0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5028    2.2643    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END