COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.897  -1.649   0.004  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.309  -2.182  -0.246  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.293  -3.653  -0.201  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.625   0.330  -0.042  1.00  0.00           C  
HETATM    5  C   UNL     1       0.658   0.000  -0.018  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.098   2.197  -0.087  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.039   3.599  -0.129  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.281  -4.789  -0.166  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.578  -0.484  -0.011  1.00  0.00           N  
HETATM   10  N   UNL     1       0.907   1.291  -0.055  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.409   1.717  -0.081  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.206   4.224  -0.154  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.913  -0.181  -0.040  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.697   0.371   1.072  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.529   3.071  -0.128  1.00  0.00           S  
HETATM   16  N   UNL     1       1.723  -0.886   0.015  1.00  0.00           N  
HETATM   17  C   UNL     1       1.474  -2.329   0.056  1.00  0.00           C  
HETATM   18  C   UNL     1       3.098  -0.380   0.007  1.00  0.00           C  
HETATM   19  C   UNL     1       3.820  -0.842   1.276  1.00  0.00           C  
HETATM   20  C   UNL     1       5.273  -0.362   1.233  1.00  0.00           C  
HETATM   21  N   UNL     1       5.936  -0.909   0.043  1.00  0.00           N  
HETATM   22  C   UNL     1       5.288  -0.440  -1.189  1.00  0.00           C  
HETATM   23  C   UNL     1       3.836  -0.923  -1.219  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.553  -1.979   0.984  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.224  -2.029  -0.764  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.982  -1.802   0.523  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.654  -1.852  -1.226  1.00  0.00           H  
HETATM   28  H   UNL     1       0.899   4.134  -0.140  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.327   5.297  -0.187  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.258   0.055   2.019  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.692   1.460   1.015  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.723   0.009   1.009  1.00  0.00           H  
HETATM   33  H   UNL     1       1.418  -2.718  -0.961  1.00  0.00           H  
HETATM   34  H   UNL     1       2.287  -2.823   0.590  1.00  0.00           H  
HETATM   35  H   UNL     1       0.533  -2.521   0.571  1.00  0.00           H  
HETATM   36  H   UNL     1       3.084   0.710  -0.027  1.00  0.00           H  
HETATM   37  H   UNL     1       3.323  -0.423   2.151  1.00  0.00           H  
HETATM   38  H   UNL     1       3.798  -1.931   1.331  1.00  0.00           H  
HETATM   39  H   UNL     1       5.294   0.727   1.192  1.00  0.00           H  
HETATM   40  H   UNL     1       5.794  -0.702   2.128  1.00  0.00           H  
HETATM   41  H   UNL     1       5.964  -1.917   0.076  1.00  0.00           H  
HETATM   42  H   UNL     1       5.310   0.649  -1.218  1.00  0.00           H  
HETATM   43  H   UNL     1       5.821  -0.837  -2.053  1.00  0.00           H  
HETATM   44  H   UNL     1       3.815  -2.013  -1.203  1.00  0.00           H  
HETATM   45  H   UNL     1       3.352  -0.562  -2.126  1.00  0.00           H  
CONECT    1    2   13   24   25                                       
CONECT    2    1    3   26   27                                       
CONECT    3    8    8    8    2                                       
CONECT    4   13    9    9   11                                       
CONECT    5    9   16   10   10                                       
CONECT    6   11   11   10    7                                       
CONECT    7    6   12   12   28                                       
CONECT    8    3    3    3                                            
CONECT    9    4    4    5                                            
CONECT   10    5    5    6                                            
CONECT   11    4   15    6    6                                       
CONECT   12   15    7    7   29                                       
CONECT   13    1   14    4                                            
CONECT   14   13   30   31   32                                       
CONECT   15   11   12                                                 
CONECT   16   18    5   17                                            
CONECT   17   16   33   34   35                                       
CONECT   18   23   19   16   36                                       
CONECT   19   20   18   37   38                                       
CONECT   20   21   19   39   40                                       
CONECT   21   22   20   41                                            
CONECT   22   21   23   42   43                                       
CONECT   23   22   18   44   45                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    7                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
