COMPND    HMDB0032418
HETATM    1  C1  UNL     1       4.453   1.705   0.039  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.462   0.718   0.606  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.423   0.394  -0.444  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.433  -0.582   0.104  1.00  0.00           C  
HETATM    5  O1  UNL     1       1.538  -1.016   1.281  1.00  0.00           O  
HETATM    6  O2  UNL     1       0.383  -1.028  -0.663  1.00  0.00           O  
HETATM    7  C5  UNL     1      -0.610  -1.937  -0.263  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.401  -1.438   0.922  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.098  -0.145   0.640  1.00  0.00           C  
HETATM   10  S1  UNL     1      -1.617   1.415   1.136  1.00  0.00           S  
HETATM   11  C8  UNL     1      -2.888   2.313   0.427  1.00  0.00           C  
HETATM   12  N1  UNL     1      -3.609   1.368  -0.150  1.00  0.00           N  
HETATM   13  C9  UNL     1      -3.243   0.126  -0.063  1.00  0.00           C  
HETATM   14  C10 UNL     1      -4.073  -0.970  -0.718  1.00  0.00           C  
HETATM   15  H1  UNL     1       4.352   2.657   0.573  1.00  0.00           H  
HETATM   16  H2  UNL     1       5.500   1.359   0.198  1.00  0.00           H  
HETATM   17  H3  UNL     1       4.340   1.812  -1.060  1.00  0.00           H  
HETATM   18  H4  UNL     1       3.054   1.103   1.536  1.00  0.00           H  
HETATM   19  H5  UNL     1       4.031  -0.222   0.844  1.00  0.00           H  
HETATM   20  H6  UNL     1       1.917   1.302  -0.824  1.00  0.00           H  
HETATM   21  H7  UNL     1       2.931  -0.118  -1.288  1.00  0.00           H  
HETATM   22  H8  UNL     1      -1.256  -2.110  -1.123  1.00  0.00           H  
HETATM   23  H9  UNL     1      -0.192  -2.929   0.018  1.00  0.00           H  
HETATM   24  H10 UNL     1      -0.704  -1.335   1.775  1.00  0.00           H  
HETATM   25  H11 UNL     1      -2.121  -2.225   1.221  1.00  0.00           H  
HETATM   26  H12 UNL     1      -3.070   3.407   0.441  1.00  0.00           H  
HETATM   27  H13 UNL     1      -3.575  -1.925  -0.629  1.00  0.00           H  
HETATM   28  H14 UNL     1      -4.297  -0.721  -1.771  1.00  0.00           H  
HETATM   29  H15 UNL     1      -5.064  -0.978  -0.174  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   18   19
CONECT    3    4   20   21
CONECT    4    5    5    6
CONECT    6    7
CONECT    7    8   22   23
CONECT    8    9   24   25
CONECT    9   10   13   13
CONECT   10   11
CONECT   11   12   12   26
CONECT   12   13
CONECT   13   14
CONECT   14   27   28   29
END