COMPND    HMDB0041867
HETATM    1  O1  UNL     1       0.823   2.787  -0.353  1.00  0.00           O1-
HETATM    2  N1  UNL     1      -0.187   1.908  -0.322  1.00  0.00           N1+
HETATM    3  C1  UNL     1       0.115   0.682  -0.071  1.00  0.00           C  
HETATM    4  C2  UNL     1       1.457   0.222   0.176  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.730  -1.060   0.662  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.961  -1.597   0.822  1.00  0.00           C  
HETATM    7  C5  UNL     1       4.087  -0.880   0.504  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.895   0.386   0.024  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.603   0.924  -0.136  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.913  -0.381  -0.163  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.472  -1.529  -0.782  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.328  -2.582  -0.910  1.00  0.00           C  
HETATM   13 CL1  UNL     1      -0.722  -4.033  -1.699  1.00  0.00          CL  
HETATM   14  C11 UNL     1      -2.637  -2.519  -0.432  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.086  -1.379   0.181  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.209  -0.328   0.301  1.00  0.00           C  
HETATM   17  N2  UNL     1      -2.790   0.870   0.882  1.00  0.00           N  
HETATM   18  C14 UNL     1      -2.476   2.092   0.512  1.00  0.00           C  
HETATM   19  O2  UNL     1      -3.126   3.113   1.170  1.00  0.00           O  
HETATM   20  C15 UNL     1      -1.515   2.522  -0.521  1.00  0.00           C  
HETATM   21  H1  UNL     1       0.884  -1.668   1.007  1.00  0.00           H  
HETATM   22  H2  UNL     1       3.062  -2.602   1.205  1.00  0.00           H  
HETATM   23  H3  UNL     1       5.082  -1.296   0.626  1.00  0.00           H  
HETATM   24  H4  UNL     1       4.776   0.960  -0.229  1.00  0.00           H  
HETATM   25  H5  UNL     1       2.544   1.915  -0.536  1.00  0.00           H  
HETATM   26  H6  UNL     1       0.552  -1.535  -1.194  1.00  0.00           H  
HETATM   27  H7  UNL     1      -3.235  -3.400  -0.578  1.00  0.00           H  
HETATM   28  H8  UNL     1      -4.092  -1.316   0.553  1.00  0.00           H  
HETATM   29  H9  UNL     1      -2.562   3.953   1.363  1.00  0.00           H  
HETATM   30  H10 UNL     1      -1.383   3.612  -0.526  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.838   2.161  -1.535  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   20
CONECT    3    4   10
CONECT    4    5    5    9
CONECT    5    6   21
CONECT    6    7    7   22
CONECT    7    8   23
CONECT    8    9    9   24
CONECT    9   25
CONECT   10   11   11   16
CONECT   11   12   26
CONECT   12   13   14   14
CONECT   14   15   27
CONECT   15   16   16   28
CONECT   16   17
CONECT   17   18   18
CONECT   18   19   20
CONECT   19   29
CONECT   20   30   31
END