COMPND    HMDB0014715
HETATM    1  C1  UNL     1       4.863   1.435  -1.027  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.728   0.570  -0.565  1.00  0.00           C  
HETATM    3  N1  UNL     1       2.802   0.819   0.354  1.00  0.00           N  
HETATM    4  N2  UNL     1       1.917  -0.040   0.610  1.00  0.00           N  
HETATM    5  C3  UNL     1       1.906  -1.200  -0.039  1.00  0.00           C  
HETATM    6  N3  UNL     1       0.995  -2.302   0.100  1.00  0.00           N  
HETATM    7  S1  UNL     1      -0.307  -2.307   1.190  1.00  0.00           S  
HETATM    8  O1  UNL     1      -1.061  -3.595   1.089  1.00  0.00           O  
HETATM    9  O2  UNL     1       0.130  -2.064   2.606  1.00  0.00           O  
HETATM   10  C4  UNL     1      -1.401  -0.991   0.762  1.00  0.00           C  
HETATM   11  C5  UNL     1      -1.236   0.248   1.343  1.00  0.00           C  
HETATM   12  C6  UNL     1      -2.089   1.295   1.014  1.00  0.00           C  
HETATM   13  C7  UNL     1      -3.112   1.119   0.107  1.00  0.00           C  
HETATM   14  N4  UNL     1      -3.951   2.213  -0.193  1.00  0.00           N  
HETATM   15  C8  UNL     1      -3.256  -0.126  -0.458  1.00  0.00           C  
HETATM   16  C9  UNL     1      -2.420  -1.178  -0.146  1.00  0.00           C  
HETATM   17  S2  UNL     1       3.258  -1.011  -1.068  1.00  0.00           S  
HETATM   18  H1  UNL     1       4.534   2.271  -1.648  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.499   0.778  -1.674  1.00  0.00           H  
HETATM   20  H3  UNL     1       5.487   1.752  -0.183  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.162  -3.125  -0.508  1.00  0.00           H  
HETATM   22  H5  UNL     1      -0.434   0.386   2.055  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.908   2.240   1.502  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.997   2.570  -1.160  1.00  0.00           H  
HETATM   25  H8  UNL     1      -4.513   2.651   0.552  1.00  0.00           H  
HETATM   26  H9  UNL     1      -4.064  -0.254  -1.170  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.532  -2.154  -0.588  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3   17
CONECT    3    4
CONECT    4    5    5
CONECT    5    6   17
CONECT    6    7   21
CONECT    7    8    8    9    9
CONECT    7   10
CONECT   10   11   11   16
CONECT   11   12   22
CONECT   12   13   13   23
CONECT   13   14   15
CONECT   14   24   25
CONECT   15   16   16   26
CONECT   16   27
END