COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.748  -3.258   1.097  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.502  -3.754   1.428  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.406  -3.462   0.630  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.560  -2.673  -0.500  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.094  -3.610   0.090  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.824  -4.235   0.607  1.00  0.00           C  
HETATM    7  C   UNL     1     -23.395   1.351   0.023  1.00  0.00           C  
HETATM    8  C   UNL     1     -16.386   1.581  -0.147  1.00  0.00           C  
HETATM    9  C   UNL     1     -20.933   1.822  -0.306  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.868   1.593  -0.169  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.414   0.590  -1.232  1.00  0.00           C  
HETATM   12  C   UNL     1     -16.731   3.423  -1.416  1.00  0.00           C  
HETATM   13  C   UNL     1     -17.992   0.201   0.805  1.00  0.00           C  
HETATM   14  C   UNL     1     -18.779   2.042  -0.461  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.105  -1.172  -1.604  1.00  0.00           C  
HETATM   16  C   UNL     1       6.333  -0.033   3.545  1.00  0.00           C  
HETATM   17  C   UNL     1     -17.381   2.396  -0.707  1.00  0.00           C  
HETATM   18  C   UNL     1       4.953   0.620   3.430  1.00  0.00           C  
HETATM   19  C   UNL     1     -22.375   2.091  -0.488  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.516  -0.713  -1.983  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.740  -1.194   0.732  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.150  -0.735   0.353  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.904  -2.472  -0.036  1.00  0.00           C  
HETATM   24  C   UNL     1       3.171   1.037   1.884  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.805  -2.177  -0.832  1.00  0.00           C  
HETATM   26  C   UNL     1     -24.592   1.965  -0.396  1.00  0.00           C  
HETATM   27  C   UNL     1     -24.247   3.041  -1.131  1.00  0.00           C  
HETATM   28  C   UNL     1       2.745   0.808   0.432  1.00  0.00           C  
HETATM   29  C   UNL     1       2.177  -0.917  -1.132  1.00  0.00           C  
HETATM   30  C   UNL     1       2.027  -2.434  -1.264  1.00  0.00           C  
HETATM   31  C   UNL     1       0.732  -4.292  -0.479  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.429  -4.656   0.448  1.00  0.00           C  
HETATM   33  C   UNL     1       8.586   0.134   2.746  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.664  -4.049  -0.054  1.00  0.00           N  
HETATM   35  N   UNL     1     -10.168  -1.974  -0.375  1.00  0.00           N  
HETATM   36  N   UNL     1     -16.739   0.516   0.587  1.00  0.00           N  
HETATM   37  N   UNL     1     -19.030   0.932   0.304  1.00  0.00           N  
HETATM   38  N   UNL     1     -18.272  -0.908   1.569  1.00  0.00           N  
HETATM   39  N   UNL     1     -15.190   2.115  -0.524  1.00  0.00           N  
HETATM   40  N   UNL     1     -15.443   3.247  -1.307  1.00  0.00           N  
HETATM   41  N   UNL     1     -19.937   2.559  -0.815  1.00  0.00           N  
HETATM   42  N   UNL     1     -20.424   0.819   0.384  1.00  0.00           N  
HETATM   43  N   UNL     1     -12.087   0.067  -0.877  1.00  0.00           N  
HETATM   44  O   UNL     1       7.260   0.666   2.712  1.00  0.00           O  
HETATM   45  O   UNL     1       4.460   0.460   2.099  1.00  0.00           O  
HETATM   46  O   UNL     1       2.576  -0.592   0.201  1.00  0.00           O  
HETATM   47  O   UNL     1       0.957  -2.882  -0.429  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.179  -3.950   0.956  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.845  -4.906   1.617  1.00  0.00           O  
HETATM   50  O   UNL     1     -22.907   3.111  -1.188  1.00  0.00           O  
HETATM   51  H   UNL     1      -9.602  -3.486   1.719  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.382  -4.369   2.307  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.705  -2.443  -1.119  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.980  -2.527   0.059  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.300  -3.983  -0.914  1.00  0.00           H  
HETATM   56  H   UNL     1     -23.305   0.462   0.630  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.920   1.097   0.800  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.155   2.416  -0.118  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.127  -0.233  -1.283  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.361   1.086  -2.201  1.00  0.00           H  
HETATM   61  H   UNL     1     -17.216   4.218  -1.962  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.690  -1.775  -2.412  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.472  -0.301  -1.439  1.00  0.00           H  
HETATM   64  H   UNL     1       6.670   0.010   4.580  1.00  0.00           H  
HETATM   65  H   UNL     1       6.270  -1.073   3.226  1.00  0.00           H  
HETATM   66  H   UNL     1       4.267   0.144   4.131  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.468  -0.094  -2.878  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.142  -1.584  -2.175  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.113  -0.323   0.924  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.787  -1.813   1.627  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.783  -1.606   0.187  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.565  -0.132   1.160  1.00  0.00           H  
HETATM   73  H   UNL     1       3.213   2.108   2.085  1.00  0.00           H  
HETATM   74  H   UNL     1       2.448   0.570   2.553  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.925  -1.562  -1.712  1.00  0.00           H  
HETATM   76  H   UNL     1     -25.595   1.635  -0.172  1.00  0.00           H  
HETATM   77  H   UNL     1     -24.934   3.729  -1.601  1.00  0.00           H  
HETATM   78  H   UNL     1       1.803   1.323   0.244  1.00  0.00           H  
HETATM   79  H   UNL     1       3.512   1.196  -0.237  1.00  0.00           H  
HETATM   80  H   UNL     1       2.932  -0.564  -1.834  1.00  0.00           H  
HETATM   81  H   UNL     1       1.223  -0.438  -1.353  1.00  0.00           H  
HETATM   82  H   UNL     1       1.809  -2.689  -2.301  1.00  0.00           H  
HETATM   83  H   UNL     1       2.954  -2.919  -0.958  1.00  0.00           H  
HETATM   84  H   UNL     1       1.632  -4.815  -0.156  1.00  0.00           H  
HETATM   85  H   UNL     1       0.488  -4.585  -1.500  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.544  -5.740   0.479  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.223  -4.284   1.452  1.00  0.00           H  
HETATM   88  H   UNL     1       8.971   0.181   3.765  1.00  0.00           H  
HETATM   89  H   UNL     1       8.571  -0.903   2.410  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.647  -3.513  -0.862  1.00  0.00           H  
HETATM   91  H   UNL     1     -19.193  -1.158   1.742  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.549  -1.440   1.934  1.00  0.00           H  
HETATM   93  C   UNL     1       9.475   0.942   1.836  1.00  0.00           C  
HETATM   94  N   UNL     1      10.778   0.622   1.708  1.00  0.00           N  
HETATM   95  C   UNL     1      11.642   1.408   0.823  1.00  0.00           C  
HETATM   96  C   UNL     1      13.062   0.838   0.860  1.00  0.00           C  
HETATM   97  C   UNL     1      13.964   1.659  -0.064  1.00  0.00           C  
HETATM   98  C   UNL     1      15.384   1.090  -0.028  1.00  0.00           C  
HETATM   99  C   UNL     1      16.286   1.910  -0.951  1.00  0.00           C  
HETATM  100  O   UNL     1       9.018   1.881   1.219  1.00  0.00           O  
HETATM  101  C   UNL     1      17.684   1.350  -0.915  1.00  0.00           C  
HETATM  102  C   UNL     1      18.542   1.773   0.100  1.00  0.00           C  
HETATM  103  N   UNL     1      19.821   1.301   0.187  1.00  0.00           N  
HETATM  104  B   UNL     1      20.296   0.301  -0.848  1.00  0.00           B1-
HETATM  105  N   UNL     1      19.308  -0.112  -1.921  1.00  0.00           N1+
HETATM  106  C   UNL     1      18.054   0.429  -1.896  1.00  0.00           C  
HETATM  107  F   UNL     1      21.396   0.830  -1.470  1.00  0.00           F  
HETATM  108  F   UNL     1      20.697  -0.830  -0.187  1.00  0.00           F  
HETATM  109  C   UNL     1      20.426   1.853   1.231  1.00  0.00           C  
HETATM  110  C   UNL     1      19.545   2.712   1.863  1.00  0.00           C  
HETATM  111  C   UNL     1      18.354   2.673   1.162  1.00  0.00           C  
HETATM  112  C   UNL     1      19.409  -0.948  -2.947  1.00  0.00           C  
HETATM  113  C   UNL     1      18.208  -0.971  -3.632  1.00  0.00           C  
HETATM  114  C   UNL     1      17.344  -0.110  -2.982  1.00  0.00           C  
HETATM  115  H   UNL     1      11.144  -0.129   2.201  1.00  0.00           H  
HETATM  116  H   UNL     1      11.258   1.361  -0.196  1.00  0.00           H  
HETATM  117  H   UNL     1      11.658   2.445   1.159  1.00  0.00           H  
HETATM  118  H   UNL     1      13.446   0.885   1.878  1.00  0.00           H  
HETATM  119  H   UNL     1      13.046  -0.199   0.524  1.00  0.00           H  
HETATM  120  H   UNL     1      13.580   1.612  -1.083  1.00  0.00           H  
HETATM  121  H   UNL     1      13.980   2.696   0.271  1.00  0.00           H  
HETATM  122  H   UNL     1      15.768   1.136   0.991  1.00  0.00           H  
HETATM  123  H   UNL     1      15.368   0.053  -0.363  1.00  0.00           H  
HETATM  124  H   UNL     1      15.902   1.864  -1.970  1.00  0.00           H  
HETATM  125  H   UNL     1      16.302   2.947  -0.616  1.00  0.00           H  
HETATM  126  H   UNL     1      19.751   3.305   2.743  1.00  0.00           H  
HETATM  127  H   UNL     1      17.986  -1.557  -4.512  1.00  0.00           H  
HETATM  128  H   UNL     1       5.033   1.681   3.664  1.00  0.00           H  
HETATM  129  C   UNL     1      17.099   3.445   1.477  1.00  0.00           C  
HETATM  130  C   UNL     1      21.846   1.586   1.660  1.00  0.00           C  
HETATM  131  C   UNL     1      20.637  -1.744  -3.307  1.00  0.00           C  
HETATM  132  C   UNL     1      15.918   0.193  -3.365  1.00  0.00           C  
HETATM  133  H   UNL     1      17.122   4.403   0.957  1.00  0.00           H  
HETATM  134  H   UNL     1      16.230   2.874   1.150  1.00  0.00           H  
HETATM  135  H   UNL     1      17.037   3.616   2.552  1.00  0.00           H  
HETATM  136  H   UNL     1      22.513   2.293   1.168  1.00  0.00           H  
HETATM  137  H   UNL     1      21.927   1.702   2.741  1.00  0.00           H  
HETATM  138  H   UNL     1      22.124   0.570   1.382  1.00  0.00           H  
HETATM  139  H   UNL     1      20.608  -2.707  -2.798  1.00  0.00           H  
HETATM  140  H   UNL     1      20.663  -1.903  -4.385  1.00  0.00           H  
HETATM  141  H   UNL     1      21.528  -1.197  -3.000  1.00  0.00           H  
HETATM  142  H   UNL     1      15.651  -0.378  -4.254  1.00  0.00           H  
HETATM  143  H   UNL     1      15.255  -0.081  -2.545  1.00  0.00           H  
HETATM  144  H   UNL     1      15.816   1.258  -3.574  1.00  0.00           H  
CONECT    1   23   23    2   51                                       
CONECT    2    3    3    1   52                                       
CONECT    3    4   48    2    2                                       
CONECT    4   25   25    3   53                                       
CONECT    5   48    6   54   55                                       
CONECT    6    5   34   49   49                                       
CONECT    7   19   19   26   56                                       
CONECT    8   39   17   17   36                                       
CONECT    9   41   42   42   19                                       
CONECT   10   11   39   57   58                                       
CONECT   11   43   10   59   60                                       
CONECT   12   40   40   17   61                                       
CONECT   13   36   36   37   38                                       
CONECT   14   17   41   41   37                                       
CONECT   15   20   35   62   63                                       
CONECT   16   44   18   64   65                                       
CONECT   17   12    8    8   14                                       
CONECT   18   16   45   66  128                                       
CONECT   19    9    7    7   50                                       
CONECT   20   15   43   67   68                                       
CONECT   21   35   22   69   70                                       
CONECT   22   43   21   71   72                                       
CONECT   23   25   35    1    1                                       
CONECT   24   45   28   73   74                                       
CONECT   25    4    4   23   75                                       
CONECT   26    7   27   27   76                                       
CONECT   27   50   26   26   77                                       
CONECT   28   46   24   78   79                                       
CONECT   29   30   46   80   81                                       
CONECT   30   47   29   82   83                                       
CONECT   31   32   47   84   85                                       
CONECT   32   31   34   86   87                                       
CONECT   33   44   88   89   93                                       
CONECT   34   32    6   90                                            
CONECT   35   15   23   21                                            
CONECT   36    8   13   13                                            
CONECT   37   14   13   42                                            
CONECT   38   13   91   92                                            
CONECT   39   10   40    8                                            
CONECT   40   39   12   12                                            
CONECT   41   14   14    9                                            
CONECT   42   37    9    9                                            
CONECT   43   20   11   22                                            
CONECT   44   33   16                                                 
CONECT   45   24   18                                                 
CONECT   46   29   28                                                 
CONECT   47   30   31                                                 
CONECT   48    5    3                                                 
CONECT   49    6    6                                                 
CONECT   50   19   27                                                 
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   33   94  100  100                                       
CONECT   94   93   95  115                                            
CONECT   95   94   96  116  117                                       
CONECT   96   95   97  118  119                                       
CONECT   97   96   98  120  121                                       
CONECT   98   97   99  122  123                                       
CONECT   99   98  101  124  125                                       
CONECT  100   93   93                                                 
CONECT  101   99  102  106  106                                       
CONECT  102  101  103  111  111                                       
CONECT  103  102  104  109                                            
CONECT  104  103  105  107  108                                       
CONECT  105  104  106  112  112                                       
CONECT  106  105  101  101  114                                       
CONECT  107  104                                                      
CONECT  108  104                                                      
CONECT  109  103  110  110  130                                       
CONECT  110  109  109  111  126                                       
CONECT  111  110  102  102  129                                       
CONECT  112  105  105  113  131                                       
CONECT  113  112  114  114  127                                       
CONECT  114  113  113  106  132                                       
CONECT  115   94                                                      
CONECT  116   95                                                      
CONECT  117   95                                                      
CONECT  118   96                                                      
CONECT  119   96                                                      
CONECT  120   97                                                      
CONECT  121   97                                                      
CONECT  122   98                                                      
CONECT  123   98                                                      
CONECT  124   99                                                      
CONECT  125   99                                                      
CONECT  126  110                                                      
CONECT  127  113                                                      
CONECT  128   18                                                      
CONECT  129  111  133  134  135                                       
CONECT  130  109  136  137  138                                       
CONECT  131  112  139  140  141                                       
CONECT  132  114  142  143  144                                       
CONECT  133  129                                                      
CONECT  134  129                                                      
CONECT  135  129                                                      
CONECT  136  130                                                      
CONECT  137  130                                                      
CONECT  138  130                                                      
CONECT  139  131                                                      
CONECT  140  131                                                      
CONECT  141  131                                                      
CONECT  142  132                                                      
CONECT  143  132                                                      
CONECT  144  132                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
