COMPND    HMDB0250340
HETATM    1 CL1  UNL     1       2.614   2.617   0.643  1.00  0.00          CL  
HETATM    2  C1  UNL     1       3.507   1.118   0.441  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.882   1.144   0.528  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.594  -0.020   0.372  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.922  -1.191   0.133  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.549  -1.197   0.050  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.804  -0.053   0.200  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.342  -0.055   0.113  1.00  0.00           C  
HETATM    9  N1  UNL     1       0.669  -1.194  -0.120  1.00  0.00           N  
HETATM   10  N2  UNL     1      -0.668  -1.157  -0.194  1.00  0.00           N  
HETATM   11  C8  UNL     1      -1.362  -0.016  -0.041  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.811  -0.003  -0.125  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.473  -1.179  -0.364  1.00  0.00           C  
HETATM   14  C11 UNL     1      -4.858  -1.248  -0.458  1.00  0.00           C  
HETATM   15  C12 UNL     1      -5.576  -0.080  -0.302  1.00  0.00           C  
HETATM   16  C13 UNL     1      -4.902   1.110  -0.060  1.00  0.00           C  
HETATM   17  C14 UNL     1      -3.525   1.159   0.030  1.00  0.00           C  
HETATM   18 CL2  UNL     1      -2.732   2.696   0.339  1.00  0.00          CL  
HETATM   19  N3  UNL     1      -0.679   1.119   0.193  1.00  0.00           N  
HETATM   20  N4  UNL     1       0.647   1.077   0.264  1.00  0.00           N  
HETATM   21  H1  UNL     1       5.416   2.065   0.716  1.00  0.00           H  
HETATM   22  H2  UNL     1       6.660  -0.021   0.435  1.00  0.00           H  
HETATM   23  H3  UNL     1       5.485  -2.126   0.008  1.00  0.00           H  
HETATM   24  H4  UNL     1       3.012  -2.138  -0.141  1.00  0.00           H  
HETATM   25  H5  UNL     1      -2.960  -2.139  -0.497  1.00  0.00           H  
HETATM   26  H6  UNL     1      -5.368  -2.178  -0.646  1.00  0.00           H  
HETATM   27  H7  UNL     1      -6.658  -0.096  -0.369  1.00  0.00           H  
HETATM   28  H8  UNL     1      -5.531   1.986   0.052  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3    7
CONECT    3    4   21
CONECT    4    5    5   22
CONECT    5    6   23
CONECT    6    7    7   24
CONECT    7    8
CONECT    8    9    9   20
CONECT    9   10
CONECT   10   11   11
CONECT   11   12   19
CONECT   12   13   13   17
CONECT   13   14   25
CONECT   14   15   15   26
CONECT   15   16   27
CONECT   16   17   17   28
CONECT   17   18
CONECT   19   20   20
END