COMPND    HMDB0250140
HETATM    1  N1  UNL     1      -4.563  -1.449   1.595  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.683  -0.937   0.601  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.961   0.250  -0.043  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.131   0.777  -1.011  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.956   0.113  -1.379  1.00  0.00           C  
HETATM    6  S1  UNL     1      -0.922   0.798  -2.609  1.00  0.00           S  
HETATM    7  O1  UNL     1      -1.719   1.473  -3.683  1.00  0.00           O  
HETATM    8  O2  UNL     1      -0.147  -0.315  -3.300  1.00  0.00           O  
HETATM    9  N2  UNL     1       0.251   1.888  -1.956  1.00  0.00           N  
HETATM   10  C5  UNL     1       1.228   1.467  -1.027  1.00  0.00           C  
HETATM   11  C6  UNL     1       2.133   2.383  -0.544  1.00  0.00           C  
HETATM   12  N3  UNL     1       3.065   2.025   0.329  1.00  0.00           N  
HETATM   13  C7  UNL     1       3.144   0.773   0.756  1.00  0.00           C  
HETATM   14  C8  UNL     1       4.149   0.473   1.672  1.00  0.00           C  
HETATM   15 CL1  UNL     1       5.254   1.694   2.233  1.00  0.00          CL  
HETATM   16  C9  UNL     1       4.246  -0.822   2.127  1.00  0.00           C  
HETATM   17  C10 UNL     1       3.362  -1.768   1.669  1.00  0.00           C  
HETATM   18  C11 UNL     1       2.377  -1.456   0.766  1.00  0.00           C  
HETATM   19  C12 UNL     1       2.254  -0.152   0.288  1.00  0.00           C  
HETATM   20  N4  UNL     1       1.319   0.203  -0.587  1.00  0.00           N  
HETATM   21  C13 UNL     1      -1.685  -1.074  -0.730  1.00  0.00           C  
HETATM   22  C14 UNL     1      -2.527  -1.600   0.245  1.00  0.00           C  
HETATM   23  H1  UNL     1      -4.772  -2.487   1.626  1.00  0.00           H  
HETATM   24  H2  UNL     1      -5.033  -0.876   2.313  1.00  0.00           H  
HETATM   25  H3  UNL     1      -4.869   0.795   0.219  1.00  0.00           H  
HETATM   26  H4  UNL     1      -3.348   1.704  -1.514  1.00  0.00           H  
HETATM   27  H5  UNL     1       0.239   2.886  -2.254  1.00  0.00           H  
HETATM   28  H6  UNL     1       2.127   3.431  -0.852  1.00  0.00           H  
HETATM   29  H7  UNL     1       5.031  -1.083   2.850  1.00  0.00           H  
HETATM   30  H8  UNL     1       3.485  -2.774   2.061  1.00  0.00           H  
HETATM   31  H9  UNL     1       1.700  -2.202   0.422  1.00  0.00           H  
HETATM   32  H10 UNL     1      -0.767  -1.603  -1.013  1.00  0.00           H  
HETATM   33  H11 UNL     1      -2.279  -2.534   0.732  1.00  0.00           H  
CONECT    1    2   23   24
CONECT    2    3    3   22
CONECT    3    4   25
CONECT    4    5    5   26
CONECT    5    6   21
CONECT    6    7    7    8    8
CONECT    6    9
CONECT    9   10   27
CONECT   10   11   11   20
CONECT   11   12   28
CONECT   12   13   13
CONECT   13   14   19
CONECT   14   15   16   16
CONECT   16   17   29
CONECT   17   18   18   30
CONECT   18   19   31
CONECT   19   20   20
CONECT   21   22   22   32
CONECT   22   33
END