HMDB0038434
     RDKit          3D
7-Isothiocyanato-1-heptene
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.4874    0.1262    0.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8047   -0.2861   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9955    0.6454   -1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408    0.2631   -1.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0796    0.2633    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5286   -0.1270    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623   -0.1290    1.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -0.4926    1.3626 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4387    0.1133    0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4808    0.5746   -0.4235 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4489    1.1733    0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0734   -0.5230    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633   -1.3420   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729    0.5388   -2.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729    1.6882   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    1.0458   -1.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -0.6899   -1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240    1.2753    0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600   -0.4209    0.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0784    0.5832   -0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6094   -1.1753   -0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097    0.9448    1.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6179   -0.7970    2.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  2  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
M  END