COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.036  -1.419   0.382  1.00  0.00           C  
HETATM    2  C   UNL     1       1.370  -1.084   0.582  1.00  0.00           C  
HETATM    3  C   UNL     1       1.914  -2.501   0.779  1.00  0.00           C  
HETATM    4  C   UNL     1       3.136  -2.454   1.699  1.00  0.00           C  
HETATM    5  C   UNL     1       2.703  -2.020   3.101  1.00  0.00           C  
HETATM    6  C   UNL     1       3.774  -3.843   1.769  1.00  0.00           C  
HETATM    7  C   UNL     1       2.396  -0.248  -0.137  1.00  0.00           C  
HETATM    8  C   UNL     1       4.358   1.198  -0.126  1.00  0.00           C  
HETATM    9  C   UNL     1       5.041   0.468  -1.283  1.00  0.00           C  
HETATM   10  C   UNL     1       5.878  -0.689  -0.733  1.00  0.00           C  
HETATM   11  C   UNL     1       6.584  -1.413  -1.857  1.00  0.00           C  
HETATM   12  C   UNL     1       8.169  -1.137  -0.182  1.00  0.00           C  
HETATM   13  C   UNL     1       7.027  -0.152   0.153  1.00  0.00           C  
HETATM   14  C   UNL     1       3.587   2.404  -0.668  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.408  -1.674   0.380  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.592  -1.563  -0.583  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.996  -1.736   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.121  -0.894  -0.605  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.793   0.591  -0.438  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.918   1.433  -1.043  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.233   1.117  -0.328  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.561  -0.368  -0.495  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.436  -1.210   0.110  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.390  -2.837  -0.872  1.00  0.00           C  
HETATM   25  F   UNL     1      -9.108   1.416   1.033  1.00  0.00           F  
HETATM   26  F   UNL     1     -10.262   1.887  -0.882  1.00  0.00           F  
HETATM   27  N   UNL     1       0.141  -1.140  -0.214  1.00  0.00           N  
HETATM   28  N   UNL     1       3.428   0.287   0.546  1.00  0.00           N  
HETATM   29  N   UNL     1       7.866  -1.646  -1.525  1.00  0.00           N  
HETATM   30  O   UNL     1      -1.065  -1.714   1.560  1.00  0.00           O  
HETATM   31  O   UNL     1       6.069  -1.738  -2.906  1.00  0.00           O  
HETATM   32  O   UNL     1       4.494   3.292  -1.325  1.00  0.00           O  
HETATM   33  O   UNL     1       2.294  -0.055  -1.330  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.178  -1.367  -0.328  1.00  0.00           O  
HETATM   35  S   UNL     1       2.779   3.272   0.705  1.00  0.00           S1+
HETATM   36  H   UNL     1       1.154  -0.640   1.554  1.00  0.00           H  
HETATM   37  H   UNL     1       1.143  -3.126   1.230  1.00  0.00           H  
HETATM   38  H   UNL     1       2.201  -2.917  -0.186  1.00  0.00           H  
HETATM   39  H   UNL     1       3.860  -1.741   1.305  1.00  0.00           H  
HETATM   40  H   UNL     1       2.029  -2.768   3.521  1.00  0.00           H  
HETATM   41  H   UNL     1       3.581  -1.924   3.739  1.00  0.00           H  
HETATM   42  H   UNL     1       2.189  -1.061   3.042  1.00  0.00           H  
HETATM   43  H   UNL     1       3.050  -4.556   2.163  1.00  0.00           H  
HETATM   44  H   UNL     1       4.082  -4.152   0.771  1.00  0.00           H  
HETATM   45  H   UNL     1       4.644  -3.810   2.424  1.00  0.00           H  
HETATM   46  H   UNL     1       5.111   1.538   0.585  1.00  0.00           H  
HETATM   47  H   UNL     1       4.285   0.077  -1.963  1.00  0.00           H  
HETATM   48  H   UNL     1       5.688   1.162  -1.819  1.00  0.00           H  
HETATM   49  H   UNL     1       5.251  -1.378  -0.167  1.00  0.00           H  
HETATM   50  H   UNL     1       9.127  -0.617  -0.184  1.00  0.00           H  
HETATM   51  H   UNL     1       8.186  -1.955   0.537  1.00  0.00           H  
HETATM   52  H   UNL     1       7.294   0.866  -0.130  1.00  0.00           H  
HETATM   53  H   UNL     1       6.763  -0.206   1.209  1.00  0.00           H  
HETATM   54  H   UNL     1       2.833   2.064  -1.377  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.541  -0.970   1.201  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.356  -2.688   0.776  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.470  -0.850  -1.398  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.076  -1.928   1.070  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.219  -1.127  -1.666  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.695   0.824   0.622  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.857   0.816  -0.948  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.685   2.491  -0.924  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.017   1.200  -2.104  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.498  -0.593   0.014  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.659  -0.601  -1.556  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.670  -2.268  -0.009  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.338  -0.977   1.170  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.792  -2.961  -1.878  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.071  -3.753  -0.376  1.00  0.00           H  
HETATM   70  H   UNL     1       0.174  -0.975  -1.169  1.00  0.00           H  
HETATM   71  H   UNL     1       3.555   0.068   1.483  1.00  0.00           H  
HETATM   72  H   UNL     1       8.508  -2.094  -2.098  1.00  0.00           H  
HETATM   73  H   UNL     1       4.963   2.894  -2.071  1.00  0.00           H  
HETATM   74  O   UNL     1       2.137   4.487   0.342  1.00  0.00           O  
HETATM   75  O   UNL     1       1.738   2.343   1.312  1.00  0.00           O  
HETATM   76  O   UNL     1       3.831   3.583   1.760  1.00  0.00           O  
HETATM   77  H   UNL     1       1.254   2.727   2.056  1.00  0.00           H  
HETATM   78  H   UNL     1       4.326   2.810   2.062  1.00  0.00           H  
CONECT    1   27   34   30   30                                       
CONECT    2    3   27    7   36                                       
CONECT    3    4    2   37   38                                       
CONECT    4    6    5    3   39                                       
CONECT    5    4   40   41   42                                       
CONECT    6    4   43   44   45                                       
CONECT    7    2   33   33   28                                       
CONECT    8   28   14    9   46                                       
CONECT    9    8   10   47   48                                       
CONECT   10    9   13   11   49                                       
CONECT   11   10   31   31   29                                       
CONECT   12   13   29   50   51                                       
CONECT   13   10   12   52   53                                       
CONECT   14   32   35    8   54                                       
CONECT   15   34   16   55   56                                       
CONECT   16   17   15   24   57                                       
CONECT   17   18   16   24   58                                       
CONECT   18   23   19   17   59                                       
CONECT   19   20   18   60   61                                       
CONECT   20   21   19   62   63                                       
CONECT   21   26   25   22   20                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   18   66   67                                       
CONECT   24   17   16   68   69                                       
CONECT   25   21                                                      
CONECT   26   21                                                      
CONECT   27    2    1   70                                            
CONECT   28    7    8   71                                            
CONECT   29   11   12   72                                            
CONECT   30    1    1                                                 
CONECT   31   11   11                                                 
CONECT   32   14   73                                                 
CONECT   33    7    7                                                 
CONECT   34    1   15                                                 
CONECT   35   14   74   74   75                                       
CONECT   35   76                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   32                                                      
CONECT   74   35   35                                                 
CONECT   75   35   77                                                 
CONECT   76   35   78                                                 
CONECT   77   75                                                      
CONECT   78   76                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
