COMPND    HMDB0246003
HETATM    1  C1  UNL     1       3.542  -0.135  -2.132  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.816   0.422  -0.874  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.829   0.542   0.079  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.528   0.132  -0.128  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.564   0.273   0.867  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.810  -0.159   0.651  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.531  -0.613   1.733  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.844  -1.041   1.600  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.433  -1.006   0.353  1.00  0.00           C  
HETATM   10  N1  UNL     1      -4.782  -1.453   0.255  1.00  0.00           N  
HETATM   11  C9  UNL     1      -2.739  -0.558  -0.746  1.00  0.00           C  
HETATM   12  O2  UNL     1      -3.370  -0.543  -1.971  1.00  0.00           O  
HETATM   13  C10 UNL     1      -2.802  -0.118  -3.177  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.438  -0.143  -0.570  1.00  0.00           C  
HETATM   15  C12 UNL     1       0.967   0.837   2.060  1.00  0.00           C  
HETATM   16  C13 UNL     1       2.265   1.249   2.273  1.00  0.00           C  
HETATM   17  C14 UNL     1       3.222   1.111   1.292  1.00  0.00           C  
HETATM   18  N2  UNL     1       4.561   1.534   1.511  1.00  0.00           N  
HETATM   19  H1  UNL     1       2.920  -1.047  -1.969  1.00  0.00           H  
HETATM   20  H2  UNL     1       3.003   0.574  -2.803  1.00  0.00           H  
HETATM   21  H3  UNL     1       4.461  -0.503  -2.644  1.00  0.00           H  
HETATM   22  H4  UNL     1       1.239  -0.312  -1.086  1.00  0.00           H  
HETATM   23  H5  UNL     1      -1.107  -0.657   2.732  1.00  0.00           H  
HETATM   24  H6  UNL     1      -3.406  -1.395   2.443  1.00  0.00           H  
HETATM   25  H7  UNL     1      -5.441  -1.324   1.063  1.00  0.00           H  
HETATM   26  H8  UNL     1      -5.134  -1.913  -0.617  1.00  0.00           H  
HETATM   27  H9  UNL     1      -3.098   0.940  -3.426  1.00  0.00           H  
HETATM   28  H10 UNL     1      -1.716  -0.222  -3.226  1.00  0.00           H  
HETATM   29  H11 UNL     1      -3.274  -0.727  -4.002  1.00  0.00           H  
HETATM   30  H12 UNL     1      -0.872   0.215  -1.426  1.00  0.00           H  
HETATM   31  H13 UNL     1       0.200   0.938   2.821  1.00  0.00           H  
HETATM   32  H14 UNL     1       2.549   1.691   3.233  1.00  0.00           H  
HETATM   33  H15 UNL     1       4.769   2.233   2.256  1.00  0.00           H  
HETATM   34  H16 UNL     1       5.363   1.178   0.957  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5   22
CONECT    5    6   15   15
CONECT    6    7    7   14
CONECT    7    8   23
CONECT    8    9    9   24
CONECT    9   10   11
CONECT   10   25   26
CONECT   11   12   14   14
CONECT   12   13
CONECT   13   27   28   29
CONECT   14   30
CONECT   15   16   31
CONECT   16   17   17   32
CONECT   17   18
CONECT   18   33   34
END