COMPND    HMDB0240518
HETATM    1  C1  UNL     1      -7.025  -0.786  -0.330  1.00  0.00           C  
HETATM    2  O1  UNL     1      -6.123  -0.275   0.655  1.00  0.00           O  
HETATM    3  C2  UNL     1      -4.768  -0.268   0.430  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.908   0.218   1.367  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.523   0.234   1.156  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.047  -0.262  -0.044  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.609  -0.255  -0.285  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.009  -1.363  -0.814  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.305  -1.359  -1.033  1.00  0.00           O  
HETATM   10  C8  UNL     1       2.064  -0.322  -0.765  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.425  -0.359  -1.010  1.00  0.00           C  
HETATM   12  C10 UNL     1       4.228   0.745  -0.724  1.00  0.00           C  
HETATM   13  O3  UNL     1       5.592   0.686  -0.978  1.00  0.00           O  
HETATM   14  S1  UNL     1       6.588   0.111   0.299  1.00  0.00           S  
HETATM   15  O4  UNL     1       6.246  -1.349   0.484  1.00  0.00           O  
HETATM   16  O5  UNL     1       6.264   0.914   1.514  1.00  0.00           O  
HETATM   17  O6  UNL     1       8.209   0.227  -0.120  1.00  0.00           O  
HETATM   18  C11 UNL     1       3.682   1.898  -0.190  1.00  0.00           C  
HETATM   19  C12 UNL     1       2.329   1.946   0.058  1.00  0.00           C  
HETATM   20  C13 UNL     1       1.535   0.842  -0.229  1.00  0.00           C  
HETATM   21  C14 UNL     1       0.173   0.842   0.002  1.00  0.00           C  
HETATM   22  O7  UNL     1      -0.324   1.894   0.489  1.00  0.00           O  
HETATM   23  C15 UNL     1      -2.898  -0.761  -1.012  1.00  0.00           C  
HETATM   24  C16 UNL     1      -4.273  -0.755  -0.753  1.00  0.00           C  
HETATM   25  H1  UNL     1      -6.768  -0.299  -1.300  1.00  0.00           H  
HETATM   26  H2  UNL     1      -8.066  -0.644  -0.039  1.00  0.00           H  
HETATM   27  H3  UNL     1      -6.819  -1.870  -0.456  1.00  0.00           H  
HETATM   28  H4  UNL     1      -4.239   0.615   2.318  1.00  0.00           H  
HETATM   29  H5  UNL     1      -1.839   0.621   1.902  1.00  0.00           H  
HETATM   30  H6  UNL     1      -0.547  -2.278  -1.070  1.00  0.00           H  
HETATM   31  H7  UNL     1       3.845  -1.258  -1.426  1.00  0.00           H  
HETATM   32  H8  UNL     1       8.496  -0.600  -0.597  1.00  0.00           H  
HETATM   33  H9  UNL     1       4.337   2.729   0.016  1.00  0.00           H  
HETATM   34  H10 UNL     1       1.879   2.839   0.476  1.00  0.00           H  
HETATM   35  H11 UNL     1      -2.504  -1.146  -1.949  1.00  0.00           H  
HETATM   36  H12 UNL     1      -4.927  -1.149  -1.522  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3
CONECT    3    4    4   24
CONECT    4    5   28
CONECT    5    6    6   29
CONECT    6    7   23
CONECT    7    8    8   21
CONECT    8    9   30
CONECT    9   10
CONECT   10   11   11   20
CONECT   11   12   31
CONECT   12   13   18   18
CONECT   13   14
CONECT   14   15   15   16   16
CONECT   14   17
CONECT   17   32
CONECT   18   19   33
CONECT   19   20   20   34
CONECT   20   21
CONECT   21   22   22
CONECT   23   24   24   35
CONECT   24   36
END