COMPND    HMDB0014960
HETATM    1  C1  UNL     1      -4.957   0.847   1.485  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.780  -0.078   1.500  1.00  0.00           C  
HETATM    3  N1  UNL     1      -3.044  -0.107   0.249  1.00  0.00           N  
HETATM    4  C3  UNL     1      -3.667  -0.686  -0.918  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.817  -2.162  -0.702  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.736   0.422   0.137  1.00  0.00           C  
HETATM    7  S1  UNL     1      -1.059   1.081   1.475  1.00  0.00           S  
HETATM    8  S2  UNL     1      -0.895   0.350  -1.420  1.00  0.00           S  
HETATM    9  S3  UNL     1       0.992   1.274  -1.175  1.00  0.00           S  
HETATM   10  C6  UNL     1       2.181   0.047  -0.669  1.00  0.00           C  
HETATM   11  S4  UNL     1       1.589  -1.485  -0.546  1.00  0.00           S  
HETATM   12  N2  UNL     1       3.539   0.344  -0.395  1.00  0.00           N  
HETATM   13  C7  UNL     1       4.121   1.669  -0.494  1.00  0.00           C  
HETATM   14  C8  UNL     1       3.221   2.763  -0.912  1.00  0.00           C  
HETATM   15  C9  UNL     1       4.498  -0.658   0.020  1.00  0.00           C  
HETATM   16  C10 UNL     1       4.019  -2.038   0.200  1.00  0.00           C  
HETATM   17  H1  UNL     1      -4.689   1.776   2.066  1.00  0.00           H  
HETATM   18  H2  UNL     1      -5.868   0.361   1.927  1.00  0.00           H  
HETATM   19  H3  UNL     1      -5.220   1.120   0.448  1.00  0.00           H  
HETATM   20  H4  UNL     1      -4.164  -1.102   1.764  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.049   0.182   2.293  1.00  0.00           H  
HETATM   22  H6  UNL     1      -3.037  -0.534  -1.814  1.00  0.00           H  
HETATM   23  H7  UNL     1      -4.647  -0.214  -1.148  1.00  0.00           H  
HETATM   24  H8  UNL     1      -4.887  -2.413  -0.440  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.220  -2.561   0.140  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.481  -2.752  -1.601  1.00  0.00           H  
HETATM   27  H11 UNL     1       5.015   1.548  -1.167  1.00  0.00           H  
HETATM   28  H12 UNL     1       4.516   1.920   0.534  1.00  0.00           H  
HETATM   29  H13 UNL     1       2.420   2.997  -0.191  1.00  0.00           H  
HETATM   30  H14 UNL     1       3.842   3.728  -0.968  1.00  0.00           H  
HETATM   31  H15 UNL     1       2.905   2.620  -1.957  1.00  0.00           H  
HETATM   32  H16 UNL     1       5.315  -0.603  -0.766  1.00  0.00           H  
HETATM   33  H17 UNL     1       5.023  -0.265   0.944  1.00  0.00           H  
HETATM   34  H18 UNL     1       3.310  -2.185   1.034  1.00  0.00           H  
HETATM   35  H19 UNL     1       3.771  -2.573  -0.737  1.00  0.00           H  
HETATM   36  H20 UNL     1       4.940  -2.634   0.565  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3   20   21
CONECT    3    4    6
CONECT    4    5   22   23
CONECT    5   24   25   26
CONECT    6    7    7    8
CONECT    8    9
CONECT    9   10
CONECT   10   11   11   12
CONECT   12   13   15
CONECT   13   14   27   28
CONECT   14   29   30   31
CONECT   15   16   32   33
CONECT   16   34   35   36
END