COMPND    HMDB0014376
HETATM    1  C1  UNL     1      -3.433   0.239   1.897  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.446  -0.231   0.972  1.00  0.00           N  
HETATM    3  C2  UNL     1      -2.255  -1.640   0.751  1.00  0.00           C  
HETATM    4  O1  UNL     1      -2.853  -2.397   1.542  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.416  -2.297  -0.328  1.00  0.00           C  
HETATM    6  O2  UNL     1      -1.389  -3.645  -0.103  1.00  0.00           O  
HETATM    7  N2  UNL     1      -0.060  -1.796  -0.264  1.00  0.00           N  
HETATM    8  C4  UNL     1       0.435  -0.573  -0.216  1.00  0.00           C  
HETATM    9  C5  UNL     1       1.859  -0.433  -0.148  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.581   0.695   0.044  1.00  0.00           C  
HETATM   11  C7  UNL     1       3.974   0.761   0.014  1.00  0.00           C  
HETATM   12  C8  UNL     1       4.679  -0.394  -0.224  1.00  0.00           C  
HETATM   13  C9  UNL     1       3.999  -1.573  -0.425  1.00  0.00           C  
HETATM   14  C10 UNL     1       2.612  -1.595  -0.388  1.00  0.00           C  
HETATM   15  C11 UNL     1      -0.443   0.589  -0.314  1.00  0.00           C  
HETATM   16  C12 UNL     1       0.154   1.580  -1.053  1.00  0.00           C  
HETATM   17  C13 UNL     1      -0.523   2.778  -1.190  1.00  0.00           C  
HETATM   18 CL1  UNL     1       0.252   4.030  -2.124  1.00  0.00          CL  
HETATM   19  C14 UNL     1      -1.776   2.965  -0.595  1.00  0.00           C  
HETATM   20  C15 UNL     1      -2.373   1.958   0.144  1.00  0.00           C  
HETATM   21  C16 UNL     1      -1.692   0.768   0.275  1.00  0.00           C  
HETATM   22  H1  UNL     1      -3.567  -0.534   2.676  1.00  0.00           H  
HETATM   23  H2  UNL     1      -4.429   0.395   1.439  1.00  0.00           H  
HETATM   24  H3  UNL     1      -3.088   1.150   2.452  1.00  0.00           H  
HETATM   25  H4  UNL     1      -1.869  -1.981  -1.284  1.00  0.00           H  
HETATM   26  H5  UNL     1      -1.459  -4.115  -0.992  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.096   1.642   0.305  1.00  0.00           H  
HETATM   28  H7  UNL     1       4.509   1.688   0.172  1.00  0.00           H  
HETATM   29  H8  UNL     1       5.766  -0.357  -0.251  1.00  0.00           H  
HETATM   30  H9  UNL     1       4.587  -2.462  -0.609  1.00  0.00           H  
HETATM   31  H10 UNL     1       2.091  -2.527  -0.547  1.00  0.00           H  
HETATM   32  H11 UNL     1       1.106   1.381  -1.556  1.00  0.00           H  
HETATM   33  H12 UNL     1      -2.294   3.900  -0.706  1.00  0.00           H  
HETATM   34  H13 UNL     1      -3.335   2.031   0.632  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3   21
CONECT    3    4    4    5
CONECT    5    6    7   25
CONECT    6   26
CONECT    7    8    8
CONECT    8    9   15
CONECT    9   10   10   14
CONECT   10   11   27
CONECT   11   12   12   28
CONECT   12   13   29
CONECT   13   14   14   30
CONECT   14   31
CONECT   15   16   16   21
CONECT   16   17   32
CONECT   17   18   19   19
CONECT   19   20   33
CONECT   20   21   21   34
END