COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.617   0.315  -2.172  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.845   1.238  -2.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.876   0.317  -1.300  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.603  -0.797  -0.159  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.200   0.117   0.594  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.254   0.887   0.830  1.00  0.00           C  
HETATM    7  C   UNL     1       5.997  -1.849  -1.209  1.00  0.00           C  
HETATM    8  C   UNL     1       3.996  -2.722  -0.003  1.00  0.00           C  
HETATM    9  C   UNL     1       4.343  -0.269  -0.139  1.00  0.00           C  
HETATM   10  C   UNL     1       3.974   1.134  -0.074  1.00  0.00           C  
HETATM   11  C   UNL     1       4.767   1.938  -0.845  1.00  0.00           C  
HETATM   12  C   UNL     1       4.061  -1.353   2.088  1.00  0.00           C  
HETATM   13  C   UNL     1       0.174  -0.376   0.661  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.732  -1.734  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.983   0.512   0.942  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.065   2.122   1.452  1.00  0.00           C  
HETATM   17  C   UNL     1       5.519  -2.819  -0.124  1.00  0.00           C  
HETATM   18  C   UNL     1       3.626  -1.374   0.622  1.00  0.00           C  
HETATM   19  C   UNL     1       5.388  -0.485  -0.945  1.00  0.00           C  
HETATM   20  C   UNL     1       2.137  -1.167   0.531  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.796  -0.793  -1.118  1.00  0.00           C  
HETATM   22  C   UNL     1       2.888   1.626   0.718  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.808  -1.877   0.905  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.780   2.497   1.799  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.774   1.679   1.533  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.038  -0.489  -0.375  1.00  0.00           N1+
HETATM   27  N   UNL     1       0.131  -1.547   0.083  1.00  0.00           N  
HETATM   28  N   UNL     1       1.470  -0.121   0.951  1.00  0.00           N  
HETATM   29  N   UNL     1       4.624   3.310  -0.956  1.00  0.00           N  
HETATM   30  N   UNL     1       2.026   2.017   1.347  1.00  0.00           N  
HETATM   31  O   UNL     1       1.248  -2.013   0.002  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.496   0.480   0.473  1.00  0.00           O  
HETATM   33  S   UNL     1       5.954   1.020  -1.649  1.00  0.00           S  
HETATM   34  H   UNL     1      -5.605  -0.114  -3.174  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.697   0.869  -1.987  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.600   2.092  -1.368  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.219   1.569  -2.969  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.604   0.906  -0.744  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.373  -0.325  -2.027  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.690  -1.005  -0.716  1.00  0.00           H  
HETATM   41  H   UNL     1       7.084  -1.776  -1.180  1.00  0.00           H  
HETATM   42  H   UNL     1       5.680  -2.210  -2.187  1.00  0.00           H  
HETATM   43  H   UNL     1       3.546  -2.800  -0.993  1.00  0.00           H  
HETATM   44  H   UNL     1       3.628  -3.530   0.629  1.00  0.00           H  
HETATM   45  H   UNL     1       3.809  -0.388   2.528  1.00  0.00           H  
HETATM   46  H   UNL     1       3.547  -2.146   2.632  1.00  0.00           H  
HETATM   47  H   UNL     1       5.138  -1.510   2.150  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.949  -2.302  -0.923  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.097  -2.328   0.640  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.664  -1.497   0.494  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.904   2.771   1.657  1.00  0.00           H  
HETATM   52  H   UNL     1       5.799  -3.837  -0.397  1.00  0.00           H  
HETATM   53  H   UNL     1       5.979  -2.556   0.828  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.880  -1.763  -1.609  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.959  -1.880   1.588  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.722  -1.670   1.462  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.890  -2.851   0.423  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.599   3.446   2.281  1.00  0.00           H  
HETATM   59  H   UNL     1       3.922   3.766  -0.465  1.00  0.00           H  
HETATM   60  H   UNL     1       5.226   3.816  -1.523  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.826   0.043   0.455  1.00  0.00           H  
CONECT    1    2   21   34   35                                       
CONECT    2    3    1   36   37                                       
CONECT    3    2   26   38   39                                       
CONECT    4   21   23   32   40                                       
CONECT    5    6    6   15                                            
CONECT    6   32    5    5   16                                       
CONECT    7   19   17   41   42                                       
CONECT    8   18   17   43   44                                       
CONECT    9   10   19   19   18                                       
CONECT   10   11   11   22    9                                       
CONECT   11   29   33   10   10                                       
CONECT   12   18   45   46   47                                       
CONECT   13   27   27   15   28                                       
CONECT   14   26   48   49   50                                       
CONECT   15    5   13   25   25                                       
CONECT   16    6   24   24   51                                       
CONECT   17    7    8   52   53                                       
CONECT   18    9   20    8   12                                       
CONECT   19   33    7    9    9                                       
CONECT   20   31   18   28   28                                       
CONECT   21    1   26    4   54                                       
CONECT   22   10   30   30   30                                       
CONECT   23    4   55   56   57                                       
CONECT   24   16   16   25   58                                       
CONECT   25   15   15   24                                            
CONECT   26    3   21   14   61                                       
CONECT   27   31   13   13                                            
CONECT   28   13   20   20                                            
CONECT   29   11   59   60                                            
CONECT   30   22   22   22                                            
CONECT   31   27   20                                                 
CONECT   32    4    6                                                 
CONECT   33   11   19                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   26                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
