COMPND    HMDB0036387
HETATM    1  O1  UNL     1       0.312   0.282  -2.113  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.979   0.566  -1.098  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.343   0.060  -1.000  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.103   0.324   0.048  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.460  -0.145   0.210  1.00  0.00           C  
HETATM    6  C5  UNL     1       5.145   0.212   1.370  1.00  0.00           C  
HETATM    7  C6  UNL     1       6.442  -0.208   1.576  1.00  0.00           C  
HETATM    8  C7  UNL     1       7.109  -0.994   0.645  1.00  0.00           C  
HETATM    9  C8  UNL     1       6.434  -1.340  -0.489  1.00  0.00           C  
HETATM   10  C9  UNL     1       5.140  -0.919  -0.691  1.00  0.00           C  
HETATM   11  O2  UNL     1       0.417   1.341  -0.108  1.00  0.00           O  
HETATM   12  C10 UNL     1      -0.890   1.870  -0.117  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.893   0.769  -0.170  1.00  0.00           C  
HETATM   14  C12 UNL     1      -3.284   1.370  -0.174  1.00  0.00           C  
HETATM   15  C13 UNL     1      -4.327   0.316  -0.225  1.00  0.00           C  
HETATM   16  C14 UNL     1      -4.825  -0.206   0.964  1.00  0.00           C  
HETATM   17  C15 UNL     1      -5.795  -1.189   0.951  1.00  0.00           C  
HETATM   18  C16 UNL     1      -6.285  -1.666  -0.241  1.00  0.00           C  
HETATM   19  C17 UNL     1      -5.819  -1.176  -1.422  1.00  0.00           C  
HETATM   20  C18 UNL     1      -4.845  -0.191  -1.385  1.00  0.00           C  
HETATM   21  H1  UNL     1       2.778  -0.556  -1.795  1.00  0.00           H  
HETATM   22  H2  UNL     1       2.624   0.940   0.810  1.00  0.00           H  
HETATM   23  H3  UNL     1       4.687   0.821   2.137  1.00  0.00           H  
HETATM   24  H4  UNL     1       6.975   0.075   2.489  1.00  0.00           H  
HETATM   25  H5  UNL     1       8.113  -1.327   0.788  1.00  0.00           H  
HETATM   26  H6  UNL     1       6.944  -1.949  -1.216  1.00  0.00           H  
HETATM   27  H7  UNL     1       4.657  -1.223  -1.604  1.00  0.00           H  
HETATM   28  H8  UNL     1      -1.016   2.375   0.884  1.00  0.00           H  
HETATM   29  H9  UNL     1      -0.976   2.597  -0.936  1.00  0.00           H  
HETATM   30  H10 UNL     1      -1.755   0.199  -1.094  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.828   0.141   0.741  1.00  0.00           H  
HETATM   32  H12 UNL     1      -3.414   1.911   0.788  1.00  0.00           H  
HETATM   33  H13 UNL     1      -3.403   2.096  -0.985  1.00  0.00           H  
HETATM   34  H14 UNL     1      -4.435   0.173   1.921  1.00  0.00           H  
HETATM   35  H15 UNL     1      -6.140  -1.553   1.907  1.00  0.00           H  
HETATM   36  H16 UNL     1      -7.055  -2.446  -0.245  1.00  0.00           H  
HETATM   37  H17 UNL     1      -6.188  -1.535  -2.367  1.00  0.00           H  
HETATM   38  H18 UNL     1      -4.488   0.185  -2.325  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   11
CONECT    3    4    4   21
CONECT    4    5   22
CONECT    5    6    6   10
CONECT    6    7   23
CONECT    7    8    8   24
CONECT    8    9   25
CONECT    9   10   10   26
CONECT   10   27
CONECT   11   12
CONECT   12   13   28   29
CONECT   13   14   30   31
CONECT   14   15   32   33
CONECT   15   16   16   20
CONECT   16   17   34
CONECT   17   18   18   35
CONECT   18   19   36
CONECT   19   20   20   37
CONECT   20   38
END