COMPND    HMDB0011629
HETATM    1  N1  UNL     1       4.004  -2.020   0.257  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.574  -0.692  -0.028  1.00  0.00           C  
HETATM    3  N2  UNL     1       4.516   0.184  -0.427  1.00  0.00           N  
HETATM    4  C2  UNL     1       4.200   1.456  -0.716  1.00  0.00           C  
HETATM    5  O1  UNL     1       5.042   2.316  -1.094  1.00  0.00           O  
HETATM    6  C3  UNL     1       2.876   1.825  -0.588  1.00  0.00           C  
HETATM    7  N3  UNL     1       2.215   2.966  -0.783  1.00  0.00           N  
HETATM    8  C4  UNL     1       0.916   2.767  -0.505  1.00  0.00           C  
HETATM    9  N4  UNL     1       0.724   1.489  -0.127  1.00  0.00           N  
HETATM   10  C5  UNL     1      -0.549   0.946   0.239  1.00  0.00           C  
HETATM   11  O2  UNL     1      -0.489   0.132   1.379  1.00  0.00           O  
HETATM   12  C6  UNL     1      -1.793  -0.356   1.425  1.00  0.00           C  
HETATM   13  C7  UNL     1      -1.950  -1.514   2.359  1.00  0.00           C  
HETATM   14  O3  UNL     1      -1.173  -2.600   2.044  1.00  0.00           O  
HETATM   15  C8  UNL     1      -2.147  -0.735  -0.020  1.00  0.00           C  
HETATM   16  O4  UNL     1      -3.395  -0.244  -0.266  1.00  0.00           O  
HETATM   17  P1  UNL     1      -3.275   0.195  -1.914  1.00  0.00           P  
HETATM   18  O5  UNL     1      -3.563  -0.964  -2.813  1.00  0.00           O  
HETATM   19  O6  UNL     1      -4.207   1.534  -2.267  1.00  0.00           O  
HETATM   20  O7  UNL     1      -1.605   0.561  -1.905  1.00  0.00           O  
HETATM   21  C9  UNL     1      -1.117  -0.008  -0.778  1.00  0.00           C  
HETATM   22  C10 UNL     1       1.910   0.903  -0.172  1.00  0.00           C  
HETATM   23  N5  UNL     1       2.275  -0.363   0.107  1.00  0.00           N  
HETATM   24  H1  UNL     1       4.355  -2.202   1.218  1.00  0.00           H  
HETATM   25  H2  UNL     1       3.973  -2.794  -0.464  1.00  0.00           H  
HETATM   26  H3  UNL     1       0.181   3.557  -0.593  1.00  0.00           H  
HETATM   27  H4  UNL     1      -1.303   1.724   0.443  1.00  0.00           H  
HETATM   28  H5  UNL     1      -2.437   0.472   1.787  1.00  0.00           H  
HETATM   29  H6  UNL     1      -1.797  -1.140   3.392  1.00  0.00           H  
HETATM   30  H7  UNL     1      -3.014  -1.839   2.309  1.00  0.00           H  
HETATM   31  H8  UNL     1      -1.560  -3.386   2.549  1.00  0.00           H  
HETATM   32  H9  UNL     1      -2.127  -1.833  -0.158  1.00  0.00           H  
HETATM   33  H10 UNL     1      -4.493   1.452  -3.227  1.00  0.00           H  
HETATM   34  H11 UNL     1      -0.315  -0.743  -1.079  1.00  0.00           H  
HETATM   35  H12 UNL     1       1.549  -1.048   0.417  1.00  0.00           H  
CONECT    1    2   24   25
CONECT    2    3    3   23
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7   22   22
CONECT    7    8    8
CONECT    8    9   26
CONECT    9   10   22
CONECT   10   11   21   27
CONECT   11   12
CONECT   12   13   15   28
CONECT   13   14   29   30
CONECT   14   31
CONECT   15   16   21   32
CONECT   16   17
CONECT   17   18   18   19   20
CONECT   19   33
CONECT   20   21
CONECT   21   34
CONECT   22   23
CONECT   23   35
END