COMPND    HMDB0245710
HETATM    1  C1  UNL     1      -3.929   1.327   1.351  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.005   0.466   0.572  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.636   0.651   0.645  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.797  -0.155  -0.082  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.671   0.032  -0.013  1.00  0.00           C  
HETATM    6  N1  UNL     1       1.622  -0.635  -0.630  1.00  0.00           N  
HETATM    7  C6  UNL     1       2.871  -0.322  -0.443  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.986  -0.948  -1.036  1.00  0.00           C  
HETATM    9  C8  UNL     1       5.240  -0.532  -0.761  1.00  0.00           C  
HETATM   10  F1  UNL     1       6.291  -1.176  -1.365  1.00  0.00           F  
HETATM   11  C9  UNL     1       5.531   0.505   0.092  1.00  0.00           C  
HETATM   12  C10 UNL     1       4.452   1.129   0.681  1.00  0.00           C  
HETATM   13  C11 UNL     1       3.143   0.715   0.412  1.00  0.00           C  
HETATM   14  S1  UNL     1       1.569   1.177   0.894  1.00  0.00           S  
HETATM   15  C12 UNL     1      -1.350  -1.134  -0.871  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.705  -1.345  -0.967  1.00  0.00           C  
HETATM   17  C14 UNL     1      -3.531  -0.520  -0.224  1.00  0.00           C  
HETATM   18  N2  UNL     1      -4.929  -0.731  -0.318  1.00  0.00           N  
HETATM   19  H1  UNL     1      -4.727   0.680   1.783  1.00  0.00           H  
HETATM   20  H2  UNL     1      -3.423   1.862   2.179  1.00  0.00           H  
HETATM   21  H3  UNL     1      -4.452   2.063   0.702  1.00  0.00           H  
HETATM   22  H4  UNL     1      -1.232   1.430   1.276  1.00  0.00           H  
HETATM   23  H5  UNL     1       3.844  -1.780  -1.726  1.00  0.00           H  
HETATM   24  H6  UNL     1       6.556   0.767   0.251  1.00  0.00           H  
HETATM   25  H7  UNL     1       4.577   1.948   1.361  1.00  0.00           H  
HETATM   26  H8  UNL     1      -0.686  -1.767  -1.442  1.00  0.00           H  
HETATM   27  H9  UNL     1      -3.059  -2.131  -1.605  1.00  0.00           H  
HETATM   28  H10 UNL     1      -5.558   0.031   0.015  1.00  0.00           H  
HETATM   29  H11 UNL     1      -5.335  -1.606  -0.700  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3    3   17
CONECT    3    4   22
CONECT    4    5   15   15
CONECT    5    6    6   14
CONECT    6    7
CONECT    7    8    8   13
CONECT    8    9   23
CONECT    9   10   11   11
CONECT   11   12   24
CONECT   12   13   13   25
CONECT   13   14
CONECT   15   16   26
CONECT   16   17   17   27
CONECT   17   18
CONECT   18   28   29
END