COMPND    HMDB0042058
HETATM    1  N1  UNL     1       0.323   2.400   0.683  1.00  0.00           N  
HETATM    2  C1  UNL     1       0.415   1.202   0.246  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.763   0.529  -0.086  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.675  -0.745  -0.552  1.00  0.00           C  
HETATM    5  N2  UNL     1       0.475  -1.391  -0.712  1.00  0.00           N  
HETATM    6  C4  UNL     1       1.635  -0.768  -0.400  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.847  -1.411  -0.554  1.00  0.00           C  
HETATM    8  C6  UNL     1       4.051  -0.822  -0.251  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.007   0.474   0.226  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.804   1.148   0.392  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.611   0.538   0.083  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.934  -1.444  -0.897  1.00  0.00           C  
HETATM   13  C11 UNL     1      -2.880  -1.160   0.269  1.00  0.00           C  
HETATM   14  C12 UNL     1      -3.236   0.292   0.216  1.00  0.00           C  
HETATM   15  C13 UNL     1      -2.088   1.229   0.080  1.00  0.00           C  
HETATM   16  O1  UNL     1      -1.960   2.064   1.197  1.00  0.00           O  
HETATM   17  H1  UNL     1       1.071   3.038   0.972  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.546  -2.375  -1.071  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.872  -2.422  -0.927  1.00  0.00           H  
HETATM   20  H4  UNL     1       5.004  -1.310  -0.366  1.00  0.00           H  
HETATM   21  H5  UNL     1       4.953   0.959   0.472  1.00  0.00           H  
HETATM   22  H6  UNL     1       2.824   2.157   0.768  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.799  -2.530  -1.060  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.314  -0.957  -1.833  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.309  -1.357   1.208  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.782  -1.765   0.226  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.949   0.414  -0.652  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.834   0.518   1.132  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.252   1.918  -0.798  1.00  0.00           H  
HETATM   30  H14 UNL     1      -1.664   1.578   1.987  1.00  0.00           H  
CONECT    1    2    2   17
CONECT    2    3   11
CONECT    3    4    4   15
CONECT    4    5   12
CONECT    5    6   18
CONECT    6    7    7   11
CONECT    7    8   19
CONECT    8    9    9   20
CONECT    9   10   21
CONECT   10   11   11   22
CONECT   12   13   23   24
CONECT   13   14   25   26
CONECT   14   15   27   28
CONECT   15   16   29
CONECT   16   30
END