COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.452  -1.126   1.866  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.057   3.746   0.557  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.175   2.769   0.139  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.653   1.527  -0.258  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.479   0.497  -0.173  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.886   1.314   1.269  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.376  -0.431  -0.137  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.932  -1.466   0.468  1.00  0.00           C  
HETATM    9  C   UNL     1       0.865  -1.320  -0.172  1.00  0.00           C  
HETATM   10  C   UNL     1       1.398  -0.141   0.328  1.00  0.00           C  
HETATM   11  C   UNL     1       2.709  -0.104   0.763  1.00  0.00           C  
HETATM   12  C   UNL     1       3.496  -1.246   0.701  1.00  0.00           C  
HETATM   13  C   UNL     1       2.966  -2.428   0.202  1.00  0.00           C  
HETATM   14  C   UNL     1       1.652  -2.467  -0.235  1.00  0.00           C  
HETATM   15  C   UNL     1       1.996  -4.761  -0.758  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.350  -2.891   0.101  1.00  0.00           C  
HETATM   17  C   UNL     1       5.742  -1.647   0.084  1.00  0.00           C  
HETATM   18  C   UNL     1       7.164  -1.729   0.644  1.00  0.00           C  
HETATM   19  C   UNL     1       7.582  -0.352   1.167  1.00  0.00           C  
HETATM   20  C   UNL     1       6.581   0.105   2.233  1.00  0.00           C  
HETATM   21  C   UNL     1       5.176   0.134   1.627  1.00  0.00           C  
HETATM   22  C   UNL     1       8.545   0.203  -0.984  1.00  0.00           C  
HETATM   23  C   UNL     1       8.469   1.188  -2.154  1.00  0.00           C  
HETATM   24  C   UNL     1       7.820   2.951  -0.628  1.00  0.00           C  
HETATM   25  C   UNL     1       7.895   1.966   0.542  1.00  0.00           C  
HETATM   26  C   UNL     1      10.155   2.632  -1.186  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.018   1.271  -0.233  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.895   2.252   0.186  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.416   3.488   0.581  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.762   0.536  -0.682  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.114   1.351   0.780  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.016   0.430   0.813  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.609  -0.397  -0.630  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.468  -1.358  -0.609  1.00  0.00           N  
HETATM   35  N   UNL     1       4.823  -1.206   1.141  1.00  0.00           N  
HETATM   36  N   UNL     1       7.593   0.612   0.059  1.00  0.00           N  
HETATM   37  N   UNL     1       8.771   2.542  -1.671  1.00  0.00           N  
HETATM   38  O   UNL     1       1.131  -3.624  -0.723  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.056  -0.508  -2.019  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.038  -0.200  -0.572  1.00  0.00           O  
HETATM   41  S   UNL     1      -7.631  -0.302  -0.736  1.00  0.00           S  
HETATM   42  H   UNL     1      -7.103  -1.876   2.576  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.081  -0.145   2.163  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.542  -1.114   1.856  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.686   4.710   0.871  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.114   2.971   0.121  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.593   2.009   2.042  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.845  -1.391   0.456  1.00  0.00           H  
HETATM   49  H   UNL     1       0.788   0.749   0.377  1.00  0.00           H  
HETATM   50  H   UNL     1       3.122   0.816   1.152  1.00  0.00           H  
HETATM   51  H   UNL     1       3.578  -3.317   0.154  1.00  0.00           H  
HETATM   52  H   UNL     1       1.457  -5.615  -1.169  1.00  0.00           H  
HETATM   53  H   UNL     1       2.860  -4.542  -1.384  1.00  0.00           H  
HETATM   54  H   UNL     1       2.330  -4.995   0.253  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.438  -2.965   0.113  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.980  -3.133  -0.895  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.931  -3.590   0.825  1.00  0.00           H  
HETATM   58  H   UNL     1       5.717  -0.934  -0.740  1.00  0.00           H  
HETATM   59  H   UNL     1       5.436  -2.629  -0.276  1.00  0.00           H  
HETATM   60  H   UNL     1       7.193  -2.453   1.459  1.00  0.00           H  
HETATM   61  H   UNL     1       7.848  -2.042  -0.145  1.00  0.00           H  
HETATM   62  H   UNL     1       8.577  -0.416   1.606  1.00  0.00           H  
HETATM   63  H   UNL     1       6.601  -0.589   3.072  1.00  0.00           H  
HETATM   64  H   UNL     1       6.849   1.104   2.579  1.00  0.00           H  
HETATM   65  H   UNL     1       4.460   0.446   2.387  1.00  0.00           H  
HETATM   66  H   UNL     1       5.154   0.839   0.796  1.00  0.00           H  
HETATM   67  H   UNL     1       8.292  -0.798  -1.335  1.00  0.00           H  
HETATM   68  H   UNL     1       9.555   0.201  -0.575  1.00  0.00           H  
HETATM   69  H   UNL     1       9.194   0.903  -2.916  1.00  0.00           H  
HETATM   70  H   UNL     1       7.466   1.169  -2.581  1.00  0.00           H  
HETATM   71  H   UNL     1       6.810   2.952  -1.037  1.00  0.00           H  
HETATM   72  H   UNL     1       8.071   3.952  -0.277  1.00  0.00           H  
HETATM   73  H   UNL     1       8.898   1.985   0.969  1.00  0.00           H  
HETATM   74  H   UNL     1       7.170   2.251   1.304  1.00  0.00           H  
HETATM   75  H   UNL     1      10.280   1.978  -0.323  1.00  0.00           H  
HETATM   76  H   UNL     1      10.838   2.324  -1.977  1.00  0.00           H  
HETATM   77  H   UNL     1      10.373   3.660  -0.897  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.957   2.055   0.206  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.103   4.252   0.913  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.046  -0.124  -1.334  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.751  -2.036  -1.242  1.00  0.00           H  
CONECT    1    8   42   43   44                                       
CONECT    2    3   29   29   45                                       
CONECT    3    2    4    4   46                                       
CONECT    4    3    3   30   27                                       
CONECT    5   31   31   30   33                                       
CONECT    6   31   32   32   47                                       
CONECT    7   32   34   33   33                                       
CONECT    8   41   16    1   48                                       
CONECT    9   14   14   34   10                                       
CONECT   10    9   11   11   49                                       
CONECT   11   12   10   10   50                                       
CONECT   12   13   13   35   11                                       
CONECT   13   14   12   12   51                                       
CONECT   14   38   13    9    9                                       
CONECT   15   38   52   53   54                                       
CONECT   16    8   55   56   57                                       
CONECT   17   18   35   58   59                                       
CONECT   18   19   17   60   61                                       
CONECT   19   36   20   18   62                                       
CONECT   20   19   21   63   64                                       
CONECT   21   20   35   65   66                                       
CONECT   22   23   36   67   68                                       
CONECT   23   37   22   69   70                                       
CONECT   24   37   25   71   72                                       
CONECT   25   24   36   73   74                                       
CONECT   26   37   75   76   77                                       
CONECT   27    4   28   28   41                                       
CONECT   28   29   27   27   78                                       
CONECT   29    2    2   28   79                                       
CONECT   30    5    4   80                                            
CONECT   31    6    5    5                                            
CONECT   32    6    6    7                                            
CONECT   33    5    7    7                                            
CONECT   34    7    9   81                                            
CONECT   35   12   21   17                                            
CONECT   36   25   22   19                                            
CONECT   37   26   24   23                                            
CONECT   38   15   14                                                 
CONECT   39   41   41                                                 
CONECT   40   41   41                                                 
CONECT   41   40   40   27   39                                       
CONECT   41   39    8                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   34                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
