COMPND    HMDB0060770
HETATM    1  C1  UNL     1      -3.996  -2.418  -1.736  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.945  -1.552  -1.141  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.628  -1.955  -1.107  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.670  -1.138  -0.552  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.051   0.091  -0.030  1.00  0.00           C  
HETATM    6  N1  UNL     1      -0.020   0.888   0.530  1.00  0.00           N  
HETATM    7  C6  UNL     1       1.343   0.470   0.562  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.819  -0.244   1.641  1.00  0.00           C  
HETATM    9 CL1  UNL     1       0.804  -0.671   3.002  1.00  0.00          CL  
HETATM   10  C8  UNL     1       3.143  -0.651   1.673  1.00  0.00           C  
HETATM   11  C9  UNL     1       4.029  -0.368   0.654  1.00  0.00           C  
HETATM   12  O1  UNL     1       5.355  -0.789   0.713  1.00  0.00           O  
HETATM   13  C10 UNL     1       3.553   0.346  -0.424  1.00  0.00           C  
HETATM   14  C11 UNL     1       4.471   0.662  -1.525  1.00  0.00           C  
HETATM   15  O2  UNL     1       4.061   1.316  -2.526  1.00  0.00           O  
HETATM   16  O3  UNL     1       5.781   0.256  -1.487  1.00  0.00           O  
HETATM   17  C12 UNL     1       2.229   0.753  -0.457  1.00  0.00           C  
HETATM   18  F1  UNL     1       1.807   1.460  -1.551  1.00  0.00           F  
HETATM   19  C13 UNL     1      -2.360   0.522  -0.049  1.00  0.00           C  
HETATM   20  C14 UNL     1      -2.734   1.827   0.509  1.00  0.00           C  
HETATM   21  C15 UNL     1      -2.773   1.863   1.973  1.00  0.00           C  
HETATM   22  O4  UNL     1      -2.520   0.895   2.735  1.00  0.00           O  
HETATM   23  O5  UNL     1      -3.119   3.065   2.580  1.00  0.00           O  
HETATM   24  C16 UNL     1      -3.291  -0.325  -0.614  1.00  0.00           C  
HETATM   25  H1  UNL     1      -4.083  -2.140  -2.815  1.00  0.00           H  
HETATM   26  H2  UNL     1      -4.962  -2.175  -1.239  1.00  0.00           H  
HETATM   27  H3  UNL     1      -3.786  -3.496  -1.609  1.00  0.00           H  
HETATM   28  H4  UNL     1      -1.305  -2.918  -1.512  1.00  0.00           H  
HETATM   29  H5  UNL     1       0.366  -1.478  -0.536  1.00  0.00           H  
HETATM   30  H6  UNL     1      -0.285   1.814   0.932  1.00  0.00           H  
HETATM   31  H7  UNL     1       3.501  -1.220   2.544  1.00  0.00           H  
HETATM   32  H8  UNL     1       5.724  -1.314   1.494  1.00  0.00           H  
HETATM   33  H9  UNL     1       6.309   0.089  -2.354  1.00  0.00           H  
HETATM   34  H10 UNL     1      -1.995   2.574   0.137  1.00  0.00           H  
HETATM   35  H11 UNL     1      -3.737   2.089   0.062  1.00  0.00           H  
HETATM   36  H12 UNL     1      -2.682   3.906   2.182  1.00  0.00           H  
HETATM   37  H13 UNL     1      -4.353  -0.034  -0.658  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3    3   24
CONECT    3    4   28
CONECT    4    5    5   29
CONECT    5    6   19
CONECT    6    7   30
CONECT    7    8    8   17
CONECT    8    9   10
CONECT   10   11   11   31
CONECT   11   12   13
CONECT   12   32
CONECT   13   14   17   17
CONECT   14   15   15   16
CONECT   16   33
CONECT   17   18
CONECT   19   20   24   24
CONECT   20   21   34   35
CONECT   21   22   22   23
CONECT   23   36
CONECT   24   37
END