COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.193  -2.064   0.453  1.00  0.00           C  
HETATM    2  C   UNL     1       6.860  -1.361   0.451  1.00  0.00           C  
HETATM    3  O   UNL     1       6.538  -0.668   1.393  1.00  0.00           O  
HETATM    4  C   UNL     1       8.939  -1.739   1.749  1.00  0.00           C  
HETATM    5  S   UNL     1      10.544  -2.585   1.751  1.00  0.00           S  
HETATM    6  N   UNL     1       4.829  -0.800  -3.047  1.00  0.00           N  
HETATM    7  C   UNL     1       3.984  -1.144  -1.896  1.00  0.00           C  
HETATM    8  C   UNL     1       2.707  -0.346  -1.954  1.00  0.00           C  
HETATM    9  O   UNL     1       2.654   0.666  -2.620  1.00  0.00           O  
HETATM   10  C   UNL     1       4.730  -0.819  -0.600  1.00  0.00           C  
HETATM   11  N   UNL     1       6.026  -1.502  -0.598  1.00  0.00           N  
HETATM   12  N   UNL     1       1.623  -0.758  -1.267  1.00  0.00           N  
HETATM   13  C   UNL     1       0.382   0.018  -1.324  1.00  0.00           C  
HETATM   14  C   UNL     1       0.433   1.140  -0.285  1.00  0.00           C  
HETATM   15  C   UNL     1       1.544   2.126  -0.653  1.00  0.00           C  
HETATM   16  C   UNL     1       1.595   3.247   0.386  1.00  0.00           C  
HETATM   17  N   UNL     1       2.659   4.191   0.034  1.00  0.00           N  
HETATM   18  C   UNL     1       2.894   5.283   0.823  1.00  0.00           C  
HETATM   19  N   UNL     1       2.155   5.488   1.913  1.00  0.00           N  
HETATM   20  N   UNL     1       3.860   6.141   0.502  1.00  0.00           N1+
HETATM   21  C   UNL     1      -0.789  -0.885  -1.031  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.604  -2.061  -0.797  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.041  -0.386  -1.028  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.179  -1.263  -0.743  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.456  -0.465  -0.801  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.419   0.720  -1.056  1.00  0.00           O  
HETATM   27  N   UNL     1      -5.639  -1.069  -0.570  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.880  -0.293  -0.627  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.360  -0.218  -2.053  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.728  -0.759  -2.936  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.946  -0.973   0.235  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.520  -0.938   1.680  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.882   0.128   2.482  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.772  -1.976   2.205  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.491   0.160   3.808  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.381  -1.944   3.531  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.739  -0.875   4.331  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.493   0.451  -2.349  1.00  0.00           N  
HETATM   39  H   UNL     1       8.037  -3.140   0.384  1.00  0.00           H  
HETATM   40  H   UNL     1       8.783  -1.727  -0.400  1.00  0.00           H  
HETATM   41  H   UNL     1       9.096  -0.662   1.817  1.00  0.00           H  
HETATM   42  H   UNL     1       8.349  -2.075   2.601  1.00  0.00           H  
HETATM   43  H   UNL     1      11.079  -2.214   2.928  1.00  0.00           H  
HETATM   44  H   UNL     1       4.385  -1.065  -3.914  1.00  0.00           H  
HETATM   45  H   UNL     1       5.061   0.182  -3.045  1.00  0.00           H  
HETATM   46  H   UNL     1       3.749  -2.208  -1.923  1.00  0.00           H  
HETATM   47  H   UNL     1       4.886   0.257  -0.532  1.00  0.00           H  
HETATM   48  H   UNL     1       4.140  -1.156   0.252  1.00  0.00           H  
HETATM   49  H   UNL     1       6.283  -2.056  -1.352  1.00  0.00           H  
HETATM   50  H   UNL     1       1.665  -1.567  -0.735  1.00  0.00           H  
HETATM   51  H   UNL     1       0.268   0.449  -2.318  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.524   1.661  -0.265  1.00  0.00           H  
HETATM   53  H   UNL     1       0.636   0.715   0.699  1.00  0.00           H  
HETATM   54  H   UNL     1       2.501   1.604  -0.673  1.00  0.00           H  
HETATM   55  H   UNL     1       1.341   2.550  -1.636  1.00  0.00           H  
HETATM   56  H   UNL     1       0.638   3.769   0.406  1.00  0.00           H  
HETATM   57  H   UNL     1       1.798   2.823   1.370  1.00  0.00           H  
HETATM   58  H   UNL     1       3.196   4.042  -0.760  1.00  0.00           H  
HETATM   59  H   UNL     1       1.451   4.863   2.146  1.00  0.00           H  
HETATM   60  H   UNL     1       2.322   6.263   2.473  1.00  0.00           H  
HETATM   61  H   UNL     1       4.398   5.992  -0.291  1.00  0.00           H  
HETATM   62  H   UNL     1       4.027   6.916   1.062  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.188   0.555  -1.214  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.215  -2.063  -1.483  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.065  -1.695   0.252  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.668  -2.017  -0.367  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.697   0.714  -0.252  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.894  -0.446   0.123  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.065  -2.008  -0.084  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.469   0.937   2.073  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.494  -2.811   1.580  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.773   0.993   4.434  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.798  -2.755   3.941  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.433  -0.851   5.367  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.998   0.883  -1.643  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.802   0.499  -3.267  1.00  0.00           H  
CONECT    1    2    4   39   40                                       
CONECT    2    1    3    3   11                                       
CONECT    3    2    2                                                 
CONECT    4    1    5   41   42                                       
CONECT    5    4   43                                                 
CONECT    6    7   44   45                                            
CONECT    7    6    8   10   46                                       
CONECT    8    7    9    9   12                                       
CONECT    9    8    8                                                 
CONECT   10    7   11   47   48                                       
CONECT   11   10   49    2                                            
CONECT   12   13   50    8                                            
CONECT   13   12   14   21   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   56   57                                       
CONECT   17   16   18   58                                            
CONECT   18   17   19   20   20                                       
CONECT   19   18   59   60                                            
CONECT   20   18   18   61   62                                       
CONECT   21   13   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   24   63   21                                            
CONECT   24   23   25   64   65                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   28   66   25                                            
CONECT   28   27   29   31   67                                       
CONECT   29   28   30   30   38                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   68   69                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32   35   70                                       
CONECT   34   32   36   36   71                                       
CONECT   35   33   37   37   72                                       
CONECT   36   34   34   37   73                                       
CONECT   37   35   35   36   74                                       
CONECT   38   75   76   29                                            
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
