COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.364  -0.144  -1.140  1.00  0.00           C  
HETATM    2  C   UNL     1       1.359  -1.416  -0.331  1.00  0.00           C  
HETATM    3  C   UNL     1       2.550  -3.171   0.780  1.00  0.00           C  
HETATM    4  C   UNL     1       2.646   0.952   0.677  1.00  0.00           C  
HETATM    5  C   UNL     1       0.160  -1.992   0.043  1.00  0.00           C  
HETATM    6  C   UNL     1       0.155  -3.158   0.786  1.00  0.00           C  
HETATM    7  C   UNL     1       1.350  -3.747   1.155  1.00  0.00           C  
HETATM    8  C   UNL     1       2.554  -2.008   0.033  1.00  0.00           C  
HETATM    9  C   UNL     1       1.424   1.060  -0.198  1.00  0.00           C  
HETATM   10  C   UNL     1       0.170   1.084   0.679  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.651   1.372   0.838  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.886  -3.102   0.495  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.736  -3.109  -0.513  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.431  -3.460   0.204  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.016  -4.148  -1.600  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.367  -0.761  -0.294  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.973   1.610   0.107  1.00  0.00           C  
HETATM   18  C   UNL     1       5.061   0.809   0.970  1.00  0.00           C  
HETATM   19  C   UNL     1       6.315   0.785   0.094  1.00  0.00           C  
HETATM   20  C   UNL     1       7.556   0.676   0.982  1.00  0.00           C  
HETATM   21  C   UNL     1       8.791   0.651   0.119  1.00  0.00           C  
HETATM   22  C   UNL     1       9.428   1.829  -0.225  1.00  0.00           C  
HETATM   23  C   UNL     1      11.023   0.689  -1.434  1.00  0.00           C  
HETATM   24  C   UNL     1      10.447  -0.527  -1.122  1.00  0.00           C  
HETATM   25  C   UNL     1       9.306  -0.553  -0.335  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.106   1.731   1.129  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.387   2.087   0.419  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.724   3.413   0.225  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.897   3.740  -0.430  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.731   2.740  -0.893  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.394   1.413  -0.700  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.222   1.087  -0.044  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.244   0.485  -0.792  1.00  0.00           N  
HETATM   34  N   UNL     1       3.872   0.914   0.120  1.00  0.00           N  
HETATM   35  N   UNL     1      10.509   1.816  -0.979  1.00  0.00           N  
HETATM   36  O   UNL     1      -4.616  -1.794  -1.119  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.253  -0.951   0.901  1.00  0.00           O  
HETATM   38  O   UNL     1       2.526   0.901   1.883  1.00  0.00           O  
HETATM   39  S   UNL     1      -1.288   1.377  -0.360  1.00  0.00           S  
HETATM   40  H   UNL     1       2.233  -0.135  -1.797  1.00  0.00           H  
HETATM   41  H   UNL     1       0.455  -0.092  -1.739  1.00  0.00           H  
HETATM   42  H   UNL     1       3.483  -3.634   1.064  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.774  -1.532  -0.244  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.782  -3.609   1.079  1.00  0.00           H  
HETATM   45  H   UNL     1       1.347  -4.656   1.739  1.00  0.00           H  
HETATM   46  H   UNL     1       3.491  -1.558  -0.259  1.00  0.00           H  
HETATM   47  H   UNL     1       1.476   1.977  -0.784  1.00  0.00           H  
HETATM   48  H   UNL     1       0.065   0.128   1.191  1.00  0.00           H  
HETATM   49  H   UNL     1       0.257   1.883   1.415  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.493   2.164   1.571  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.684   0.408   1.346  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.977  -4.088   0.950  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.687  -2.361   1.269  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.816  -2.851  -0.016  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.521  -4.447   0.659  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.611  -3.465  -0.514  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.231  -2.720   0.979  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.946  -3.897  -2.112  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.196  -4.153  -2.319  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.106  -5.134  -1.145  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.908   2.531  -0.473  1.00  0.00           H  
HETATM   62  H   UNL     1       5.009  -0.108   1.556  1.00  0.00           H  
HETATM   63  H   UNL     1       5.103   1.667   1.642  1.00  0.00           H  
HETATM   64  H   UNL     1       6.272  -0.073  -0.577  1.00  0.00           H  
HETATM   65  H   UNL     1       6.366   1.702  -0.492  1.00  0.00           H  
HETATM   66  H   UNL     1       7.598   1.534   1.654  1.00  0.00           H  
HETATM   67  H   UNL     1       7.504  -0.242   1.568  1.00  0.00           H  
HETATM   68  H   UNL     1       9.035   2.771   0.129  1.00  0.00           H  
HETATM   69  H   UNL     1      11.910   0.718  -2.050  1.00  0.00           H  
HETATM   70  H   UNL     1      10.873  -1.446  -1.497  1.00  0.00           H  
HETATM   71  H   UNL     1       8.829  -1.488  -0.082  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.230   0.780   1.647  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.862   2.510   1.851  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.072   4.194   0.587  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.160   4.776  -0.581  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.648   2.995  -1.404  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.046   0.632  -1.062  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.956   0.050   0.104  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.335   0.638  -1.745  1.00  0.00           H  
HETATM   80  H   UNL     1       3.968   0.955  -0.844  1.00  0.00           H  
CONECT    1    9    2   40   41                                       
CONECT    2    8    1    5    5                                       
CONECT    3    8    8    7   42                                       
CONECT    4   34    9   38   38                                       
CONECT    5    2    2    6   43                                       
CONECT    6    7    7    5   44                                       
CONECT    7    3    6    6   45                                       
CONECT    8    3    3    2   46                                       
CONECT    9   10    4    1   47                                       
CONECT   10   39    9   48   49                                       
CONECT   11   17   39   50   51                                       
CONECT   12   13   52   53   54                                       
CONECT   13   12   14   15   36                                       
CONECT   14   13   55   56   57                                       
CONECT   15   13   58   59   60                                       
CONECT   16   37   37   36   33                                       
CONECT   17   33   26   11   61                                       
CONECT   18   19   34   62   63                                       
CONECT   19   20   18   64   65                                       
CONECT   20   21   19   66   67                                       
CONECT   21   25   25   22   20                                       
CONECT   22   35   35   21   68                                       
CONECT   23   24   24   35   69                                       
CONECT   24   23   23   25   70                                       
CONECT   25   24   21   21   71                                       
CONECT   26   27   17   72   73                                       
CONECT   27   28   28   32   26                                       
CONECT   28   29   27   27   74                                       
CONECT   29   30   30   28   75                                       
CONECT   30   29   29   31   76                                       
CONECT   31   30   32   32   77                                       
CONECT   32   31   31   27   78                                       
CONECT   33   16   17   79                                            
CONECT   34   18    4   80                                            
CONECT   35   23   22   22                                            
CONECT   36   13   16                                                 
CONECT   37   16   16                                                 
CONECT   38    4    4                                                 
CONECT   39   11   10                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
