HMDB0302325
     RDKit          3D
D-2-Butylisothiocyanate
 16 15  0  0  0  0  0  0  0  0999 V2000
   -1.8063   -0.4797    0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -0.6993    0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789    0.1004   -0.5718 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2044    1.5690   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8684   -0.1424   -0.5435 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723   -0.7826    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399   -1.8541    0.9895 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0904    0.5876    0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460   -0.8500   -0.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3727   -1.0418    0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127   -1.7673    0.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1039   -0.4006    1.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0938   -0.1960   -1.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6514    1.9055   -1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0835    2.1777   -0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0663    1.8737    0.6476 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
  3  5  1  0
  5  6  2  0
  6  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  6
  4 14  1  0
  4 15  1  0
  4 16  1  0
M  END