HMDB0029600
     RDKit          3D
Hexane
 20 19  0  0  0  0  0  0  0  0999 V2000
    2.4522    0.4628    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627   -0.6663   -0.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5738   -1.0079   -0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3853    0.1530   -0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7718   -0.2652    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7313    0.8878   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1288    1.4194   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415    0.3748    1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5669    0.4228    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -1.5538   -0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600   -0.3871   -1.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6090   -1.3122    0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2177   -1.8404   -0.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5014    0.4751   -1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357    1.0196    0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1091   -1.0460   -0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7666   -0.7226    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2269    1.7193   -0.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0323    1.2693    0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6526    0.5977   -0.6596 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
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  6 20  1  0
M  END