COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.675   1.361  -2.450  1.00  0.00           C  
HETATM    2  N   UNL     1      -9.042  -0.811  -0.488  1.00  0.00           N  
HETATM    3  C   UNL     1       1.048   0.032  -1.916  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.117  -1.429   0.034  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.326  -0.482   0.402  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.498   0.477   0.182  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.654   0.090   1.106  1.00  0.00           C  
HETATM    8  C   UNL     1     -16.854   2.876   1.641  1.00  0.00           C  
HETATM    9  C   UNL     1       3.701   2.558  -1.074  1.00  0.00           C  
HETATM   10  C   UNL     1       5.020   2.376  -0.319  1.00  0.00           C  
HETATM   11  C   UNL     1       9.917   3.607   0.849  1.00  0.00           C  
HETATM   12  C   UNL     1       6.400   1.078   1.972  1.00  0.00           C  
HETATM   13  C   UNL     1       6.422  -1.004   3.154  1.00  0.00           C  
HETATM   14  C   UNL     1       7.251  -0.891   0.907  1.00  0.00           C  
HETATM   15  F   UNL     1       7.285  -2.940   2.095  1.00  0.00           F  
HETATM   16  C   UNL     1       6.988  -1.623   2.052  1.00  0.00           C  
HETATM   17  C   UNL     1       6.128   0.346   3.112  1.00  0.00           C  
HETATM   18  C   UNL     1       6.961   0.461   0.870  1.00  0.00           C  
HETATM   19  C   UNL     1       7.257   1.260  -0.373  1.00  0.00           C  
HETATM   20  C   UNL     1       7.868   2.607   0.021  1.00  0.00           C  
HETATM   21  N   UNL     1       9.101   2.380   0.786  1.00  0.00           N  
HETATM   22  C   UNL     1      10.202   3.278   2.321  1.00  0.00           C  
HETATM   23  C   UNL     1       8.862   2.532   2.233  1.00  0.00           C  
HETATM   24  C   UNL     1       8.244   0.490  -1.252  1.00  0.00           C  
HETATM   25  C   UNL     1       9.523   0.174  -0.456  1.00  0.00           C  
HETATM   26  N   UNL     1       9.741  -1.274  -0.416  1.00  0.00           N  
HETATM   27  C   UNL     1      10.479  -1.817   0.573  1.00  0.00           C  
HETATM   28  O   UNL     1      10.962  -1.106   1.431  1.00  0.00           O  
HETATM   29  O   UNL     1      10.679  -3.148   0.610  1.00  0.00           O  
HETATM   30  C   UNL     1      11.483  -3.663   1.704  1.00  0.00           C  
HETATM   31  C   UNL     1      10.686   0.863  -1.199  1.00  0.00           C  
HETATM   32  C   UNL     1      10.172   1.019  -2.653  1.00  0.00           C  
HETATM   33  C   UNL     1       5.960   1.496  -1.148  1.00  0.00           C  
HETATM   34  N   UNL     1       3.088   1.246  -1.313  1.00  0.00           N  
HETATM   35  C   UNL     1       3.951   0.400  -2.147  1.00  0.00           C  
HETATM   36  C   UNL     1       5.277   0.153  -1.424  1.00  0.00           C  
HETATM   37  C   UNL     1       1.754   1.389  -1.912  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.313   0.044  -2.635  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.896   0.370  -1.314  1.00  0.00           N  
HETATM   40  C   UNL     1       0.255  -0.259  -0.629  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.068  -0.355  -1.091  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.374  -0.809   0.186  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.537  -1.521   0.404  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.396  -1.783  -0.647  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.095  -1.334  -1.920  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.934  -0.620  -2.145  1.00  0.00           C  
HETATM   47  S   UNL     1      -5.879  -2.694  -0.365  1.00  0.00           S  
HETATM   48  O   UNL     1      -5.590  -3.487   0.778  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.166  -3.294  -1.621  1.00  0.00           O  
HETATM   50  C   UNL     1      -8.534  -1.981   0.245  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.752  -0.760  -1.192  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.187  -0.101  -0.508  1.00  0.00           C  
HETATM   53  O   UNL     1     -10.301   0.844  -1.260  1.00  0.00           O  
HETATM   54  N   UNL     1     -14.779   1.011   0.894  1.00  0.00           N  
HETATM   55  C   UNL     1     -15.985   0.536   1.584  1.00  0.00           C  
HETATM   56  C   UNL     1     -17.169   1.436   1.224  1.00  0.00           C  
HETATM   57  C   UNL     1     -15.567   3.330   0.946  1.00  0.00           C  
HETATM   58  C   UNL     1     -14.430   2.374   1.314  1.00  0.00           C  
HETATM   59  H   UNL     1       8.100   1.099  -3.338  1.00  0.00           H  
HETATM   60  H   UNL     1       8.554   2.419  -2.217  1.00  0.00           H  
HETATM   61  H   UNL     1       1.700  -0.785  -2.226  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.789  -0.734   0.807  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.998  -0.422   1.440  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.644  -1.501   0.180  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.180   1.496   0.404  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.826   0.417  -0.856  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.972  -0.928   0.884  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.325   0.151   2.143  1.00  0.00           H  
HETATM   69  H   UNL     1     -17.676   3.528   1.347  1.00  0.00           H  
HETATM   70  H   UNL     1     -16.721   2.921   2.722  1.00  0.00           H  
HETATM   71  H   UNL     1       3.025   3.173  -0.479  1.00  0.00           H  
HETATM   72  H   UNL     1       3.893   3.048  -2.028  1.00  0.00           H  
HETATM   73  H   UNL     1       5.483   3.349  -0.156  1.00  0.00           H  
HETATM   74  H   UNL     1       4.827   1.898   0.641  1.00  0.00           H  
HETATM   75  H   UNL     1      10.804   3.572   0.216  1.00  0.00           H  
HETATM   76  H   UNL     1       9.338   4.521   0.712  1.00  0.00           H  
HETATM   77  H   UNL     1       6.170   2.133   1.940  1.00  0.00           H  
HETATM   78  H   UNL     1       6.209  -1.576   4.045  1.00  0.00           H  
HETATM   79  H   UNL     1       7.692  -1.372   0.047  1.00  0.00           H  
HETATM   80  H   UNL     1       5.686   0.828   3.971  1.00  0.00           H  
HETATM   81  H   UNL     1       8.097   3.179  -0.878  1.00  0.00           H  
HETATM   82  H   UNL     1       7.158   3.163   0.634  1.00  0.00           H  
HETATM   83  H   UNL     1      11.065   2.629   2.474  1.00  0.00           H  
HETATM   84  H   UNL     1      10.193   4.144   2.982  1.00  0.00           H  
HETATM   85  H   UNL     1       8.001   3.159   2.467  1.00  0.00           H  
HETATM   86  H   UNL     1       8.854   1.586   2.774  1.00  0.00           H  
HETATM   87  H   UNL     1       7.786  -0.433  -1.607  1.00  0.00           H  
HETATM   88  H   UNL     1       9.441   0.568   0.557  1.00  0.00           H  
HETATM   89  H   UNL     1       9.355  -1.842  -1.101  1.00  0.00           H  
HETATM   90  H   UNL     1      11.566  -4.747   1.615  1.00  0.00           H  
HETATM   91  H   UNL     1      12.477  -3.218   1.665  1.00  0.00           H  
HETATM   92  H   UNL     1      11.010  -3.412   2.652  1.00  0.00           H  
HETATM   93  H   UNL     1      10.892   1.841  -0.762  1.00  0.00           H  
HETATM   94  H   UNL     1      11.579   0.238  -1.174  1.00  0.00           H  
HETATM   95  H   UNL     1      10.282   0.085  -3.204  1.00  0.00           H  
HETATM   96  H   UNL     1      10.692   1.832  -3.162  1.00  0.00           H  
HETATM   97  H   UNL     1       6.184   1.992  -2.093  1.00  0.00           H  
HETATM   98  H   UNL     1       3.456  -0.553  -2.332  1.00  0.00           H  
HETATM   99  H   UNL     1       4.142   0.900  -3.096  1.00  0.00           H  
HETATM  100  H   UNL     1       5.924  -0.461  -2.050  1.00  0.00           H  
HETATM  101  H   UNL     1       5.088  -0.359  -0.481  1.00  0.00           H  
HETATM  102  H   UNL     1       1.852   1.751  -2.935  1.00  0.00           H  
HETATM  103  H   UNL     1       1.169   2.101  -1.329  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.415   0.843  -3.369  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.615  -0.930  -3.021  1.00  0.00           H  
HETATM  106  H   UNL     1       0.119  -1.321  -0.427  1.00  0.00           H  
HETATM  107  H   UNL     1       0.608   0.299   0.239  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.703  -0.605   1.007  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.776  -1.874   1.396  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.768  -1.540  -2.739  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.701  -0.266  -3.138  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.840  -2.004   1.291  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.713  -2.925  -0.269  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.722  -1.380  -2.089  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.392   0.254  -1.368  1.00  0.00           H  
HETATM  116  H   UNL     1     -16.200  -0.488   1.275  1.00  0.00           H  
HETATM  117  H   UNL     1     -15.822   0.563   2.661  1.00  0.00           H  
HETATM  118  H   UNL     1     -18.060   1.092   1.748  1.00  0.00           H  
HETATM  119  H   UNL     1     -17.341   1.399   0.148  1.00  0.00           H  
HETATM  120  H   UNL     1     -15.714   3.322  -0.134  1.00  0.00           H  
HETATM  121  H   UNL     1     -15.314   4.339   1.272  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.274   2.393   2.393  1.00  0.00           H  
HETATM  123  H   UNL     1     -13.515   2.687   0.810  1.00  0.00           H  
CONECT    1   24   32   59   60                                       
CONECT    2   52   51   50                                            
CONECT    3   40   38   37   61                                       
CONECT    4   51   50   47   62                                       
CONECT    5    6   52   63   64                                       
CONECT    6    7    5   65   66                                       
CONECT    7   54    6   67   68                                       
CONECT    8   57   56   69   70                                       
CONECT    9   34   10   71   72                                       
CONECT   10    9   33   73   74                                       
CONECT   11   21   22   75   76                                       
CONECT   12   18   18   17   77                                       
CONECT   13   17   17   16   78                                       
CONECT   14   18   16   16   79                                       
CONECT   15   16                                                      
CONECT   16   14   14   13   15                                       
CONECT   17   12   13   13   80                                       
CONECT   18   19   12   12   14                                       
CONECT   19   33   24   20   18                                       
CONECT   20   19   21   81   82                                       
CONECT   21   23   20   11                                            
CONECT   22   23   11   83   84                                       
CONECT   23   21   22   85   86                                       
CONECT   24   25   19    1   87                                       
CONECT   25   26   31   24   88                                       
CONECT   26   27   25   89                                            
CONECT   27   29   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   30   27                                                 
CONECT   30   29   90   91   92                                       
CONECT   31   25   32   93   94                                       
CONECT   32   31    1   95   96                                       
CONECT   33   10   36   19   97                                       
CONECT   34   37    9   35                                            
CONECT   35   34   36   98   99                                       
CONECT   36   35   33  100  101                                       
CONECT   37    3   34  102  103                                       
CONECT   38   39    3  104  105                                       
CONECT   39   41   40   38                                            
CONECT   40   39    3  106  107                                       
CONECT   41   42   42   46   39                                       
CONECT   42   43   41   41  108                                       
CONECT   43   44   44   42  109                                       
CONECT   44   47   43   43   45                                       
CONECT   45   44   46   46  110                                       
CONECT   46   45   45   41  111                                       
CONECT   47    4   49   49   44                                       
CONECT   47   48   48                                                 
CONECT   48   47   47                                                 
CONECT   49   47   47                                                 
CONECT   50    2    4  112  113                                       
CONECT   51    2    4  114  115                                       
CONECT   52   53   53    5    2                                       
CONECT   53   52   52                                                 
CONECT   54   58   55    7                                            
CONECT   55   54   56  116  117                                       
CONECT   56    8   55  118  119                                       
CONECT   57    8   58  120  121                                       
CONECT   58   57   54  122  123                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   17                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   38                                                      
CONECT  106   40                                                      
CONECT  107   40                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   50                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   55                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   56                                                      
CONECT  120   57                                                      
CONECT  121   57                                                      
CONECT  122   58                                                      
CONECT  123   58                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
