HMDB0033764
     RDKit          3D
Erucin
 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.9172    2.2224    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    1.4484    0.3795 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998   -0.3536    0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0631   -1.0116    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -0.6330   -0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027   -1.3304   -0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -0.9808    0.8071 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1912    0.2330    1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8063    1.7159    1.0945 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4849    2.2163    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4915    1.7572   -0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7885    3.2877   -0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098   -0.6581    1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9010   -0.7143   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144   -0.8727    1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2392   -2.1156    0.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9603    0.4548   -0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4669   -1.0103   -1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8732   -1.2259   -1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   -2.4295   -0.3554 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
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
M  END