COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.560   0.221  -1.016  1.00  0.00           C  
HETATM    2  N   UNL     1       6.955   0.492   0.140  1.00  0.00           N  
HETATM    3  O   UNL     1       4.580   0.248  -0.005  1.00  0.00           O  
HETATM    4  S   UNL     1       1.774  -0.942   0.698  1.00  0.00           S  
HETATM    5  C   UNL     1       4.271   0.201  -2.384  1.00  0.00           C  
HETATM    6  N   UNL     1       8.318  -0.631   1.423  1.00  0.00           N  
HETATM    7  O   UNL     1       3.886   1.334  -3.164  1.00  0.00           O  
HETATM    8  C   UNL     1       5.776   0.273  -2.030  1.00  0.00           C  
HETATM    9  N   UNL     1      11.192   0.282   2.020  1.00  0.00           N  
HETATM   10  O   UNL     1       6.469   1.145  -2.925  1.00  0.00           O  
HETATM   11  C   UNL     1       5.745   0.863  -0.597  1.00  0.00           C  
HETATM   12  N   UNL     1      10.640   2.100   0.622  1.00  0.00           N  
HETATM   13  C   UNL     1       7.119  -0.616   0.917  1.00  0.00           C  
HETATM   14  N   UNL     1       8.569   2.322  -0.380  1.00  0.00           N  
HETATM   15  O   UNL     1      -5.845   2.327   1.922  1.00  0.00           O  
HETATM   16  C   UNL     1       8.999   0.461   1.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.705  -3.856   0.891  1.00  0.00           N  
HETATM   18  C   UNL     1      10.295   0.961   1.214  1.00  0.00           C  
HETATM   19  C   UNL     1       9.793   2.751  -0.154  1.00  0.00           C  
HETATM   20  N   UNL     1      -9.416   2.298   0.209  1.00  0.00           N  
HETATM   21  C   UNL     1       8.134   1.194   0.171  1.00  0.00           C  
HETATM   22  N   UNL     1      -9.902   4.342   1.186  1.00  0.00           N  
HETATM   23  C   UNL     1       2.703  -1.037  -0.857  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.817   3.324   1.577  1.00  0.00           N  
HETATM   25  C   UNL     1       0.835  -2.495   0.707  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.489   0.195   0.308  1.00  0.00           N  
HETATM   27  C   UNL     1       0.081  -2.629   2.033  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.992   0.197  -0.802  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.757  -3.909   2.010  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.003  -3.775  -0.397  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.172  -2.490  -0.446  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.644  -2.738   1.049  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.789  -1.824  -0.814  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.039   3.300   0.980  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.940   2.314   1.385  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.731  -0.663  -0.620  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.934  -0.533  -1.518  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.441  -1.925  -1.899  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.548   0.236  -2.783  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.605   1.268  -0.018  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.323   1.246   0.550  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.761  -2.859   0.011  1.00  0.00           C  
HETATM   43  N   UNL     1      -4.701  -1.740   0.169  1.00  0.00           N  
HETATM   44  H   UNL     1       2.935   1.110  -0.937  1.00  0.00           H  
HETATM   45  H   UNL     1       4.046  -0.723  -2.917  1.00  0.00           H  
HETATM   46  H   UNL     1       4.304   1.372  -4.035  1.00  0.00           H  
HETATM   47  H   UNL     1       6.224  -0.720  -2.032  1.00  0.00           H  
HETATM   48  H   UNL     1      12.084   0.637   2.159  1.00  0.00           H  
HETATM   49  H   UNL     1      10.929  -0.548   2.446  1.00  0.00           H  
HETATM   50  H   UNL     1       6.439   0.864  -3.850  1.00  0.00           H  
HETATM   51  H   UNL     1       5.633   1.947  -0.628  1.00  0.00           H  
HETATM   52  H   UNL     1       6.365  -1.369   1.089  1.00  0.00           H  
HETATM   53  H   UNL     1      10.114   3.673  -0.615  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.777   4.338   0.767  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.639   5.086   1.751  1.00  0.00           H  
HETATM   56  H   UNL     1       2.007  -1.110  -1.693  1.00  0.00           H  
HETATM   57  H   UNL     1       3.347  -1.916  -0.843  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.573   4.073   2.144  1.00  0.00           H  
HETATM   59  H   UNL     1       1.520  -3.335   0.590  1.00  0.00           H  
HETATM   60  H   UNL     1       0.795  -2.676   2.855  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.574  -1.768   2.168  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.924  -0.063  -0.876  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.306  -4.001   2.947  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.100  -4.771   1.889  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.345  -4.637  -0.506  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.731  -3.768  -1.208  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.831  -1.627  -0.350  1.00  0.00           H  
HETATM   68  H   UNL     1       0.361  -2.438  -1.395  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.075  -2.764   2.050  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.115  -1.796   0.906  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.332  -2.759  -0.676  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.373  -1.791  -1.820  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.316  -1.830  -2.543  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.657  -2.465  -2.430  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.712  -2.473  -0.996  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.184   1.227  -2.509  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.764  -0.305  -3.313  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.421   0.336  -3.428  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.331  -2.832  -0.990  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.290  -3.801   0.154  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.222  -0.854   0.105  1.00  0.00           H  
CONECT    1    3    5   23   44                                       
CONECT    2   11   13   21                                            
CONECT    3    1   11                                                 
CONECT    4   23   25                                                 
CONECT    5    1    7    8   45                                       
CONECT    6   13   13   16                                            
CONECT    7    5   46                                                 
CONECT    8    5   10   11   47                                       
CONECT    9   18   48   49                                            
CONECT   10    8   50                                                 
CONECT   11    2    3    8   51                                       
CONECT   12   18   18   19                                            
CONECT   13    2    6    6   52                                       
CONECT   14   19   19   21                                            
CONECT   15   35   35                                                 
CONECT   16    6   18   21   21                                       
CONECT   17   29   30   32                                            
CONECT   18    9   12   12   16                                       
CONECT   19   12   14   14   53                                       
CONECT   20   34   34   40                                            
CONECT   21    2   14   16   16                                       
CONECT   22   34   54   55                                            
CONECT   23    1    4   56   57                                       
CONECT   24   34   35   58                                            
CONECT   25    4   27   31   59                                       
CONECT   26   36   36   41                                            
CONECT   27   25   29   60   61                                       
CONECT   28   37   40   62                                            
CONECT   29   17   27   63   64                                       
CONECT   30   17   31   65   66                                       
CONECT   31   25   30   67   68                                       
CONECT   32   17   42   69   70                                       
CONECT   33   36   43   71   72                                       
CONECT   34   20   20   22   24                                       
CONECT   35   15   15   24   41                                       
CONECT   36   26   26   33   37                                       
CONECT   37   28   36   38   39                                       
CONECT   38   37   73   74   75                                       
CONECT   39   37   76   77   78                                       
CONECT   40   20   28   41   41                                       
CONECT   41   26   35   40   40                                       
CONECT   42   32   43   79   80                                       
CONECT   43   33   42   81                                            
CONECT   44    1                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
