COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.220  -2.770  -0.453  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.800   0.006   1.124  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.719  -2.259   0.496  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.007   0.636   0.421  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.891  -1.541  -0.182  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.317   0.330   0.032  1.00  0.00           C  
HETATM    7  C   UNL     1       4.041   2.826  -0.099  1.00  0.00           C  
HETATM    8  C   UNL     1       8.146   0.112  -0.723  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.744   1.541   0.562  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.044  -0.274  -0.986  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.189   0.331  -1.467  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.889   2.140   0.077  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.611   1.536  -0.937  1.00  0.00           C  
HETATM   14  C   UNL     1       0.802  -0.817   0.320  1.00  0.00           C  
HETATM   15  C   UNL     1       6.679   0.347  -0.465  1.00  0.00           C  
HETATM   16  C   UNL     1       4.258   0.324  -0.022  1.00  0.00           C  
HETATM   17  C   UNL     1       2.833   0.057   0.251  1.00  0.00           C  
HETATM   18  C   UNL     1       2.099  -1.003  -0.207  1.00  0.00           C  
HETATM   19  C   UNL     1       4.824   1.542  -0.183  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.361  -1.705   0.116  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.578  -1.334   0.561  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.155  -0.276   0.516  1.00  0.00           N  
HETATM   23  N   UNL     1       1.992   0.823   1.005  1.00  0.00           N  
HETATM   24  N   UNL     1       6.116   1.508  -0.418  1.00  0.00           N  
HETATM   25  N   UNL     1       0.823   0.291   1.033  1.00  0.00           N  
HETATM   26  S   UNL     1       5.525  -0.886  -0.201  1.00  0.00           S  
HETATM   27  H   UNL     1      -0.917   0.623   0.959  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.997  -0.071   2.193  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.007  -2.557   1.505  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.445  -3.140  -0.084  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.254   1.583   0.900  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.767   0.811  -0.628  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.638  -1.336  -1.222  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.778  -2.172  -0.140  1.00  0.00           H  
HETATM   35  H   UNL     1       4.036   3.183   0.931  1.00  0.00           H  
HETATM   36  H   UNL     1       4.502   3.576  -0.741  1.00  0.00           H  
HETATM   37  H   UNL     1       3.016   2.649  -0.426  1.00  0.00           H  
HETATM   38  H   UNL     1       8.684   0.103   0.224  1.00  0.00           H  
HETATM   39  H   UNL     1       8.277  -0.847  -1.224  1.00  0.00           H  
HETATM   40  H   UNL     1       8.535   0.909  -1.356  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.180   2.013   1.354  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.715  -1.215  -1.401  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.755  -0.138  -2.258  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.222   3.081   0.489  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.506   2.007  -1.315  1.00  0.00           H  
HETATM   46  H   UNL     1       2.439  -1.812  -0.837  1.00  0.00           H  
HETATM   47  H   UNL     1       2.240   1.645   1.456  1.00  0.00           H  
CONECT    1   20   20                                                 
CONECT    2   21    4   27   28                                       
CONECT    3   21    5   29   30                                       
CONECT    4    2   22   31   32                                       
CONECT    5    3   22   33   34                                       
CONECT    6   22   10   10    9                                       
CONECT    7   19   35   36   37                                       
CONECT    8   15   38   39   40                                       
CONECT    9    6   12   12   41                                       
CONECT   10    6    6   11   42                                       
CONECT   11   10   13   13   43                                       
CONECT   12    9    9   13   44                                       
CONECT   13   11   11   12   45                                       
CONECT   14   18   25   25   20                                       
CONECT   15    8   24   24   26                                       
CONECT   16   26   19   19   17                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   14   46                                       
CONECT   19   24    7   16   16                                       
CONECT   20   14   21    1    1                                       
CONECT   21    3   20    2                                            
CONECT   22    5    6    4                                            
CONECT   23   17   25   47                                            
CONECT   24   15   15   19                                            
CONECT   25   23   14   14                                            
CONECT   26   15   16                                                 
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   18                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
