COMPND    HMDB0244280
HETATM    1  C1  UNL     1       6.156  -0.428   1.897  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.068  -0.200   0.910  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.430   0.338  -0.318  1.00  0.00           O  
HETATM    4  N1  UNL     1       3.842  -0.490   1.189  1.00  0.00           N  
HETATM    5  C3  UNL     1       2.812  -0.272   0.249  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.651  -1.072  -0.852  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.621  -0.836  -1.773  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.745   0.220  -1.579  1.00  0.00           C  
HETATM    9  S1  UNL     1      -0.556   0.527  -2.738  1.00  0.00           S  
HETATM   10  O2  UNL     1      -0.078   0.242  -4.116  1.00  0.00           O  
HETATM   11  O3  UNL     1      -0.946   1.994  -2.671  1.00  0.00           O  
HETATM   12  N2  UNL     1      -1.923  -0.386  -2.296  1.00  0.00           N  
HETATM   13  C7  UNL     1      -2.614  -0.231  -1.067  1.00  0.00           C  
HETATM   14  N3  UNL     1      -2.251   0.659  -0.128  1.00  0.00           N  
HETATM   15  C8  UNL     1      -2.906   0.807   1.038  1.00  0.00           C  
HETATM   16  C9  UNL     1      -2.460   1.817   2.057  1.00  0.00           C  
HETATM   17  C10 UNL     1      -4.007   0.020   1.311  1.00  0.00           C  
HETATM   18  C11 UNL     1      -4.389  -0.897   0.355  1.00  0.00           C  
HETATM   19  C12 UNL     1      -5.578  -1.759   0.629  1.00  0.00           C  
HETATM   20  N4  UNL     1      -3.690  -0.991  -0.787  1.00  0.00           N  
HETATM   21  C13 UNL     1       0.911   1.021  -0.471  1.00  0.00           C  
HETATM   22  C14 UNL     1       1.932   0.769   0.422  1.00  0.00           C  
HETATM   23  H1  UNL     1       5.852  -1.144   2.688  1.00  0.00           H  
HETATM   24  H2  UNL     1       7.048  -0.738   1.344  1.00  0.00           H  
HETATM   25  H3  UNL     1       6.359   0.559   2.403  1.00  0.00           H  
HETATM   26  H4  UNL     1       5.155   1.314  -0.466  1.00  0.00           H  
HETATM   27  H5  UNL     1       3.348  -1.893  -0.985  1.00  0.00           H  
HETATM   28  H6  UNL     1       1.505  -1.477  -2.640  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.265  -1.101  -2.980  1.00  0.00           H  
HETATM   30  H8  UNL     1      -3.321   2.462   2.329  1.00  0.00           H  
HETATM   31  H9  UNL     1      -2.050   1.318   2.965  1.00  0.00           H  
HETATM   32  H10 UNL     1      -1.660   2.405   1.607  1.00  0.00           H  
HETATM   33  H11 UNL     1      -4.520   0.147   2.243  1.00  0.00           H  
HETATM   34  H12 UNL     1      -5.966  -2.076  -0.369  1.00  0.00           H  
HETATM   35  H13 UNL     1      -5.216  -2.674   1.128  1.00  0.00           H  
HETATM   36  H14 UNL     1      -6.350  -1.221   1.191  1.00  0.00           H  
HETATM   37  H15 UNL     1       0.264   1.853  -0.272  1.00  0.00           H  
HETATM   38  H16 UNL     1       2.046   1.411   1.287  1.00  0.00           H  
CONECT    1    2   23   24   25
CONECT    2    3    4    4
CONECT    3   26
CONECT    4    5
CONECT    5    6    6   22
CONECT    6    7   27
CONECT    7    8    8   28
CONECT    8    9   21
CONECT    9   10   10   11   11
CONECT    9   12
CONECT   12   13   29
CONECT   13   14   14   20
CONECT   14   15
CONECT   15   16   17   17
CONECT   16   30   31   32
CONECT   17   18   33
CONECT   18   19   20   20
CONECT   19   34   35   36
CONECT   21   22   22   37
CONECT   22   38
END