COMPND    HMDB0041988
HETATM    1  C1  UNL     1      -3.332   2.628  -0.296  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.456   1.475   0.031  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.585   0.033   0.432  1.00  0.00           C  
HETATM    4  N1  UNL     1      -2.292  -0.401   0.809  1.00  0.00           N  
HETATM    5  C4  UNL     1      -1.861  -0.270   2.179  1.00  0.00           C  
HETATM    6  O1  UNL     1      -2.693   0.212   2.942  1.00  0.00           O  
HETATM    7  C5  UNL     1      -0.541  -0.653   2.750  1.00  0.00           C  
HETATM    8  N2  UNL     1       0.569  -0.100   1.991  1.00  0.00           N  
HETATM    9  C6  UNL     1       0.764  -0.163   0.692  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.940   0.470   0.159  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.852   0.952   1.107  1.00  0.00           C  
HETATM   12  C9  UNL     1       3.967   1.686   0.792  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.187   1.953  -0.538  1.00  0.00           C  
HETATM   14  C11 UNL     1       3.307   1.492  -1.483  1.00  0.00           C  
HETATM   15  C12 UNL     1       2.179   0.750  -1.144  1.00  0.00           C  
HETATM   16  C13 UNL     1      -0.067  -0.899  -0.237  1.00  0.00           C  
HETATM   17  C14 UNL     1       0.671  -1.550  -1.205  1.00  0.00           C  
HETATM   18  C15 UNL     1      -0.010  -2.259  -2.165  1.00  0.00           C  
HETATM   19 CL1  UNL     1       0.900  -3.079  -3.401  1.00  0.00          CL  
HETATM   20  C16 UNL     1      -1.403  -2.310  -2.141  1.00  0.00           C  
HETATM   21  C17 UNL     1      -2.142  -1.670  -1.177  1.00  0.00           C  
HETATM   22  C18 UNL     1      -1.457  -0.969  -0.231  1.00  0.00           C  
HETATM   23  H1  UNL     1      -3.211   3.636  -0.596  1.00  0.00           H  
HETATM   24  H2  UNL     1      -4.078  -0.426  -0.412  1.00  0.00           H  
HETATM   25  H3  UNL     1      -4.280   0.109   1.323  1.00  0.00           H  
HETATM   26  H4  UNL     1      -0.468  -0.297   3.800  1.00  0.00           H  
HETATM   27  H5  UNL     1      -0.520  -1.769   2.754  1.00  0.00           H  
HETATM   28  H6  UNL     1       2.695   0.749   2.179  1.00  0.00           H  
HETATM   29  H7  UNL     1       4.661   2.047   1.569  1.00  0.00           H  
HETATM   30  H8  UNL     1       5.058   2.526  -0.808  1.00  0.00           H  
HETATM   31  H9  UNL     1       3.498   1.716  -2.547  1.00  0.00           H  
HETATM   32  H10 UNL     1       1.497   0.472  -1.958  1.00  0.00           H  
HETATM   33  H11 UNL     1       1.767  -1.513  -1.133  1.00  0.00           H  
HETATM   34  H12 UNL     1      -1.906  -2.864  -2.899  1.00  0.00           H  
HETATM   35  H13 UNL     1      -3.207  -1.712  -1.137  1.00  0.00           H  
CONECT    1    2    2    2   23
CONECT    2    3
CONECT    3    4   24   25
CONECT    4    5   22
CONECT    5    6    6    7
CONECT    7    8   26   27
CONECT    8    9    9
CONECT    9   10   16
CONECT   10   11   11   15
CONECT   11   12   28
CONECT   12   13   13   29
CONECT   13   14   30
CONECT   14   15   15   31
CONECT   15   32
CONECT   16   17   17   22
CONECT   17   18   33
CONECT   18   19   20   20
CONECT   20   21   34
CONECT   21   22   22   35
END