COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.659   1.100  -1.760  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.031   1.748   2.523  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.865   2.782   2.645  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.236   2.725   2.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.395   3.260   0.598  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.417   2.579  -0.314  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.761   2.229  -1.656  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.843   3.375  -2.089  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.664   4.657  -2.237  1.00  0.00           C  
HETATM   10  C   UNL     1       1.551  -2.463  -1.667  1.00  0.00           C  
HETATM   11  C   UNL     1       1.613  -1.582   1.715  1.00  0.00           C  
HETATM   12  C   UNL     1       0.200  -0.080  -1.588  1.00  0.00           C  
HETATM   13  C   UNL     1       3.387   0.789   3.997  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.922   1.298   0.354  1.00  0.00           C  
HETATM   15  C   UNL     1       5.431  -0.951  -0.683  1.00  0.00           C  
HETATM   16  C   UNL     1       6.569   0.052  -0.891  1.00  0.00           C  
HETATM   17  C   UNL     1       7.864  -0.711  -1.186  1.00  0.00           C  
HETATM   18  C   UNL     1       8.147  -1.680  -0.033  1.00  0.00           C  
HETATM   19  C   UNL     1       6.948  -2.616   0.142  1.00  0.00           C  
HETATM   20  C   UNL     1       7.197  -3.547   1.330  1.00  0.00           C  
HETATM   21  C   UNL     1       9.279   0.874  -0.025  1.00  0.00           C  
HETATM   22  C   UNL     1      10.168  -0.416  -1.871  1.00  0.00           C  
HETATM   23  C   UNL     1       1.507   0.012  -1.818  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.317  -0.616  -0.015  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.321  -1.210  -1.007  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.838  -2.544  -0.460  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.648  -3.476  -0.208  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.670  -2.795   0.752  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.451  -3.694   0.961  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.586  -3.257   1.017  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.229   0.639  -2.231  1.00  0.00           C  
HETATM   32  C   UNL     1       2.395  -1.188  -1.613  1.00  0.00           C  
HETATM   33  C   UNL     1       3.078  -1.086  -0.247  1.00  0.00           C  
HETATM   34  C   UNL     1       2.103  -0.485   0.767  1.00  0.00           C  
HETATM   35  C   UNL     1       2.811   0.606   1.572  1.00  0.00           C  
HETATM   36  C   UNL     1       2.243   0.640   2.993  1.00  0.00           C  
HETATM   37  C   UNL     1       1.300   1.808   3.128  1.00  0.00           C  
HETATM   38  N   UNL     1       8.976   0.240  -1.315  1.00  0.00           N  
HETATM   39  O   UNL     1      -0.180   2.150  -2.139  1.00  0.00           O  
HETATM   40  O   UNL     1       6.257   0.906  -1.994  1.00  0.00           O  
HETATM   41  O   UNL     1       1.645   2.798   3.739  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.888   3.964   1.739  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.517   3.462  -0.540  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.980   1.015  -1.502  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.787   0.601  -0.544  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.252  -1.546   0.198  1.00  0.00           O  
HETATM   47  O   UNL     1      -7.415  -0.307  -1.177  1.00  0.00           O  
HETATM   48  O   UNL     1      -7.537  -2.320   0.766  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.113  -4.698   0.370  1.00  0.00           O  
HETATM   50  O   UNL     1       4.232  -0.249  -0.353  1.00  0.00           O  
HETATM   51  O   UNL     1       5.771  -1.841   0.382  1.00  0.00           O  
HETATM   52  H   UNL     1      -0.336   0.869   1.975  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.558   3.662   3.193  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.856   1.880   2.319  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.507   3.654   0.101  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.533   2.077  -2.410  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.069   3.524  -1.337  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.379   3.128  -3.044  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.513   4.471  -2.896  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.026   4.973  -1.259  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.039   5.442  -2.664  1.00  0.00           H  
HETATM   62  H   UNL     1       1.062  -2.534  -2.639  1.00  0.00           H  
HETATM   63  H   UNL     1       2.193  -3.331  -1.519  1.00  0.00           H  
HETATM   64  H   UNL     1       0.795  -2.432  -0.882  1.00  0.00           H  
HETATM   65  H   UNL     1       2.420  -1.865   2.391  1.00  0.00           H  
HETATM   66  H   UNL     1       0.767  -1.211   2.294  1.00  0.00           H  
HETATM   67  H   UNL     1       1.303  -2.451   1.135  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.230  -1.019  -1.272  1.00  0.00           H  
HETATM   69  H   UNL     1       3.926   1.716   3.799  1.00  0.00           H  
HETATM   70  H   UNL     1       2.982   0.813   5.009  1.00  0.00           H  
HETATM   71  H   UNL     1       4.069  -0.056   3.899  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.074   0.662   0.608  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.469   1.553   1.262  1.00  0.00           H  
HETATM   74  H   UNL     1       5.278  -1.522  -1.599  1.00  0.00           H  
HETATM   75  H   UNL     1       6.695   0.651   0.010  1.00  0.00           H  
HETATM   76  H   UNL     1       7.754  -1.272  -2.114  1.00  0.00           H  
HETATM   77  H   UNL     1       9.037  -2.267  -0.260  1.00  0.00           H  
HETATM   78  H   UNL     1       8.306  -1.116   0.886  1.00  0.00           H  
HETATM   79  H   UNL     1       6.814  -3.209  -0.763  1.00  0.00           H  
HETATM   80  H   UNL     1       7.330  -2.954   2.235  1.00  0.00           H  
HETATM   81  H   UNL     1       6.343  -4.213   1.455  1.00  0.00           H  
HETATM   82  H   UNL     1       8.095  -4.137   1.147  1.00  0.00           H  
HETATM   83  H   UNL     1      10.058   1.624  -0.162  1.00  0.00           H  
HETATM   84  H   UNL     1       8.380   1.351   0.365  1.00  0.00           H  
HETATM   85  H   UNL     1       9.623   0.117   0.680  1.00  0.00           H  
HETATM   86  H   UNL     1      10.469  -1.236  -1.220  1.00  0.00           H  
HETATM   87  H   UNL     1       9.938  -0.805  -2.863  1.00  0.00           H  
HETATM   88  H   UNL     1      10.980   0.308  -1.944  1.00  0.00           H  
HETATM   89  H   UNL     1       1.934   0.950  -2.142  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.817  -0.414   0.932  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.831  -1.375  -1.966  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.511  -3.000  -1.186  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.146  -3.688  -1.152  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.162  -2.621   1.709  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.958  -3.867   0.004  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.754  -3.209   1.645  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.770  -4.647   1.384  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.067  -3.018   1.966  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.321  -3.203   0.213  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.171  -4.263   1.063  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.103   1.287  -2.296  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.344   1.241  -2.028  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.099   0.110  -3.175  1.00  0.00           H  
HETATM  104  H   UNL     1       3.152  -1.220  -2.397  1.00  0.00           H  
HETATM  105  H   UNL     1       3.380  -2.080   0.084  1.00  0.00           H  
HETATM  106  H   UNL     1       1.252  -0.053   0.241  1.00  0.00           H  
HETATM  107  H   UNL     1       3.879   0.392   1.614  1.00  0.00           H  
HETATM  108  H   UNL     1       2.652   1.572   1.094  1.00  0.00           H  
HETATM  109  H   UNL     1       1.704  -0.287   3.191  1.00  0.00           H  
HETATM  110  H   UNL     1       5.444   1.417  -1.878  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.206   3.095  -1.112  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.411  -5.336   0.556  1.00  0.00           H  
CONECT    1   12   44   39   39                                       
CONECT    2   37    3    3   52                                       
CONECT    3    2    2    4   53                                       
CONECT    4    3   42    5   54                                       
CONECT    5    4   42    6   55                                       
CONECT    6    5    7   43   14                                       
CONECT    7   44    6    8   56                                       
CONECT    8    7    9   57   58                                       
CONECT    9    8   59   60   61                                       
CONECT   10   32   62   63   64                                       
CONECT   11   34   65   66   67                                       
CONECT   12   23   23    1   68                                       
CONECT   13   36   69   70   71                                       
CONECT   14    6   45   72   73                                       
CONECT   15   51   16   50   74                                       
CONECT   16   17   15   40   75                                       
CONECT   17   38   18   16   76                                       
CONECT   18   19   17   77   78                                       
CONECT   19   20   18   51   79                                       
CONECT   20   19   80   81   82                                       
CONECT   21   38   83   84   85                                       
CONECT   22   38   86   87   88                                       
CONECT   23   32   12   12   89                                       
CONECT   24   45   25   46   90                                       
CONECT   25   47   24   26   91                                       
CONECT   26   25   48   27   92                                       
CONECT   27   28   26   49   93                                       
CONECT   28   46   29   27   94                                       
CONECT   29   28   95   96   97                                       
CONECT   30   48   98   99  100                                       
CONECT   31   47  101  102  103                                       
CONECT   32   33   10   23  104                                       
CONECT   33   50   34   32  105                                       
CONECT   34   11   35   33  106                                       
CONECT   35   36   34  107  108                                       
CONECT   36   13   35   37  109                                       
CONECT   37   36   41   41    2                                       
CONECT   38   21   22   17                                            
CONECT   39    1    1                                                 
CONECT   40   16  110                                                 
CONECT   41   37   37                                                 
CONECT   42    4    5                                                 
CONECT   43    6  111                                                 
CONECT   44    1    7                                                 
CONECT   45   14   24                                                 
CONECT   46   24   28                                                 
CONECT   47   31   25                                                 
CONECT   48   30   26                                                 
CONECT   49   27  112                                                 
CONECT   50   15   33                                                 
CONECT   51   19   15                                                 
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   22                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   29                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   30                                                      
CONECT  100   30                                                      
CONECT  101   31                                                      
CONECT  102   31                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   40                                                      
CONECT  111   43                                                      
CONECT  112   49                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
