COMPND    HMDB0014644
HETATM    1  C1  UNL     1       4.799   1.880   0.982  1.00  0.00           C  
HETATM    2  N1  UNL     1       3.483   1.263   0.879  1.00  0.00           N  
HETATM    3  C2  UNL     1       3.323   0.074   0.448  1.00  0.00           C  
HETATM    4  N2  UNL     1       4.496  -0.635   0.066  1.00  0.00           N  
HETATM    5  C3  UNL     1       4.705  -1.909   0.573  1.00  0.00           C  
HETATM    6  N3  UNL     1       4.863  -2.958   1.007  1.00  0.00           N  
HETATM    7  N4  UNL     1       2.095  -0.616   0.304  1.00  0.00           N  
HETATM    8  C4  UNL     1       1.066  -0.224  -0.629  1.00  0.00           C  
HETATM    9  C5  UNL     1       0.381   1.066  -0.255  1.00  0.00           C  
HETATM   10  S1  UNL     1      -0.888   1.519  -1.451  1.00  0.00           S  
HETATM   11  C6  UNL     1      -2.245   0.344  -1.536  1.00  0.00           C  
HETATM   12  C7  UNL     1      -3.031   0.255  -0.309  1.00  0.00           C  
HETATM   13  N5  UNL     1      -2.872   0.921   0.839  1.00  0.00           N  
HETATM   14  C8  UNL     1      -3.825   0.528   1.730  1.00  0.00           C  
HETATM   15  N6  UNL     1      -4.599  -0.412   1.112  1.00  0.00           N  
HETATM   16  C9  UNL     1      -4.111  -0.574  -0.130  1.00  0.00           C  
HETATM   17  C10 UNL     1      -4.655  -1.511  -1.139  1.00  0.00           C  
HETATM   18  H1  UNL     1       5.399   1.462   1.812  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.404   1.753   0.052  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.640   2.966   1.125  1.00  0.00           H  
HETATM   21  H4  UNL     1       5.174  -0.199  -0.579  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.888  -1.468   0.897  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.317  -1.032  -0.772  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.548  -0.114  -1.647  1.00  0.00           H  
HETATM   25  H8  UNL     1       1.149   1.876  -0.287  1.00  0.00           H  
HETATM   26  H9  UNL     1       0.020   1.032   0.791  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.870   0.668  -2.424  1.00  0.00           H  
HETATM   28  H11 UNL     1      -1.824  -0.635  -1.867  1.00  0.00           H  
HETATM   29  H12 UNL     1      -3.943   0.892   2.733  1.00  0.00           H  
HETATM   30  H13 UNL     1      -5.416  -0.902   1.546  1.00  0.00           H  
HETATM   31  H14 UNL     1      -5.340  -0.956  -1.837  1.00  0.00           H  
HETATM   32  H15 UNL     1      -5.280  -2.317  -0.690  1.00  0.00           H  
HETATM   33  H16 UNL     1      -3.851  -2.035  -1.703  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3
CONECT    3    4    7
CONECT    4    5   21
CONECT    5    6    6    6
CONECT    7    8   22
CONECT    8    9   23   24
CONECT    9   10   25   26
CONECT   10   11
CONECT   11   12   27   28
CONECT   12   13   16   16
CONECT   13   14   14
CONECT   14   15   29
CONECT   15   16   30
CONECT   16   17
CONECT   17   31   32   33
END