COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.093  -3.900  -1.968  1.00  0.00           C  
HETATM    2  C   UNL     1      13.979  -4.351   0.097  1.00  0.00           C  
HETATM    3  C   UNL     1       2.320  -0.712  -0.017  1.00  0.00           C  
HETATM    4  C   UNL     1      14.884  -4.722  -0.881  1.00  0.00           C  
HETATM    5  C   UNL     1      13.303  -3.154  -0.015  1.00  0.00           C  
HETATM    6  C   UNL     1      12.161   2.434  -0.650  1.00  0.00           C  
HETATM    7  C   UNL     1      11.409   0.907   1.094  1.00  0.00           C  
HETATM    8  C   UNL     1      10.189   0.826   1.976  1.00  0.00           C  
HETATM    9  C   UNL     1       6.907  -0.449   1.310  1.00  0.00           C  
HETATM   10  C   UNL     1       9.589  -1.338   0.973  1.00  0.00           C  
HETATM   11  C   UNL     1       7.261  -1.041   0.117  1.00  0.00           C  
HETATM   12  C   UNL     1       4.943  -1.161  -0.513  1.00  0.00           C  
HETATM   13  C   UNL     1       8.691  -1.322  -0.263  1.00  0.00           C  
HETATM   14  C   UNL     1      10.852   4.347  -1.530  1.00  0.00           C  
HETATM   15  C   UNL     1       7.928  -0.052   2.347  1.00  0.00           C  
HETATM   16  C   UNL     1       5.571  -0.206   1.592  1.00  0.00           C  
HETATM   17  C   UNL     1       4.587  -0.559   0.685  1.00  0.00           C  
HETATM   18  C   UNL     1       6.272  -1.398  -0.792  1.00  0.00           C  
HETATM   19  C   UNL     1      12.258   3.813  -1.248  1.00  0.00           C  
HETATM   20  C   UNL     1      11.036  -1.304   0.552  1.00  0.00           C  
HETATM   21  C   UNL     1      12.741  -1.031  -1.167  1.00  0.00           C  
HETATM   22  C   UNL     1      12.752  -0.463  -2.584  1.00  0.00           C  
HETATM   23  C   UNL     1      14.204  -0.418  -3.076  1.00  0.00           C  
HETATM   24  C   UNL     1      14.680  -1.851  -3.302  1.00  0.00           C  
HETATM   25  C   UNL     1      14.407  -2.698  -2.086  1.00  0.00           C  
HETATM   26  C   UNL     1      13.514  -2.323  -1.108  1.00  0.00           C  
HETATM   27  C   UNL     1       0.935  -0.369   0.467  1.00  0.00           C  
HETATM   28  C   UNL     1       0.762   0.235   1.700  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.503   0.259   1.370  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.330  -0.339   0.135  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.888   0.603   1.854  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.158   0.441   1.133  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.756  -0.545  -1.026  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.384   0.256  -2.172  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.890   0.385  -1.933  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.139   1.138  -0.624  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.531   0.348   0.539  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.230   2.464  -0.303  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.580   2.182  -0.110  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.697   0.719  -0.113  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.943  -0.065   0.058  1.00  0.00           C  
HETATM   42  C   UNL     1     -13.950   0.398   0.905  1.00  0.00           C  
HETATM   43  C   UNL     1     -15.108  -0.333   1.061  1.00  0.00           C  
HETATM   44  C   UNL     1     -15.273  -1.530   0.375  1.00  0.00           C  
HETATM   45  C   UNL     1     -14.273  -1.994  -0.468  1.00  0.00           C  
HETATM   46  C   UNL     1     -13.114  -1.264  -0.633  1.00  0.00           C  
HETATM   47  C   UNL     1     -17.541  -1.799  -0.086  1.00  0.00           C  
HETATM   48  C   UNL     1     -17.478  -0.702  -0.931  1.00  0.00           C  
HETATM   49  C   UNL     1     -18.622  -0.250  -1.563  1.00  0.00           C  
HETATM   50  C   UNL     1     -19.830  -0.891  -1.352  1.00  0.00           C  
HETATM   51  C   UNL     1     -19.896  -1.987  -0.507  1.00  0.00           C  
HETATM   52  C   UNL     1     -18.754  -2.443   0.125  1.00  0.00           C  
HETATM   53  C   UNL     1     -12.666   3.151   0.061  1.00  0.00           C  
HETATM   54  C   UNL     1      12.660   0.623   1.927  1.00  0.00           C  
HETATM   55  C   UNL     1      13.743   0.019   1.031  1.00  0.00           C  
HETATM   56  C   UNL     1      13.173   1.929   2.537  1.00  0.00           C  
HETATM   57  C   UNL     1      12.316  -0.362   3.046  1.00  0.00           C  
HETATM   58  C   UNL     1      13.639   5.046  -2.808  1.00  0.00           C  
HETATM   59  F   UNL     1     -18.818  -3.512   0.948  1.00  0.00           F  
HETATM   60  F   UNL     1     -20.947  -0.447  -1.969  1.00  0.00           F  
HETATM   61  N   UNL     1       9.275  -0.144   1.775  1.00  0.00           N  
HETATM   62  N   UNL     1      11.357  -1.278  -0.757  1.00  0.00           N  
HETATM   63  N   UNL     1      -0.453   0.535   2.124  1.00  0.00           N  
HETATM   64  N   UNL     1      -0.115  -0.640  -0.289  1.00  0.00           N  
HETATM   65  N   UNL     1      -6.113   0.094   0.248  1.00  0.00           N  
HETATM   66  N   UNL     1      -9.580   1.289  -0.413  1.00  0.00           N  
HETATM   67  N   UNL     1     -10.490   0.235  -0.294  1.00  0.00           N  
HETATM   68  N   UNL     1      11.503   2.248   0.512  1.00  0.00           N  
HETATM   69  N   UNL     1     -13.333   3.613  -1.015  1.00  0.00           N  
HETATM   70  N   UNL     1      -9.661   3.720  -0.374  1.00  0.00           N  
HETATM   71  N   UNL     1      13.018   3.750  -2.503  1.00  0.00           N  
HETATM   72  O   UNL     1      10.031   1.634   2.866  1.00  0.00           O  
HETATM   73  O   UNL     1      11.911  -1.299   1.391  1.00  0.00           O  
HETATM   74  O   UNL     1       3.279  -0.319   0.967  1.00  0.00           O  
HETATM   75  O   UNL     1      -3.863   0.203   0.854  1.00  0.00           O  
HETATM   76  O   UNL     1      -5.466   0.968   2.184  1.00  0.00           O  
HETATM   77  O   UNL     1      12.675   1.491  -1.213  1.00  0.00           O  
HETATM   78  O   UNL     1     -16.416  -2.248   0.531  1.00  0.00           O  
HETATM   79  O   UNL     1     -12.965   3.540   1.175  1.00  0.00           O  
HETATM   80  H   UNL     1      15.799  -4.191  -2.732  1.00  0.00           H  
HETATM   81  H   UNL     1      13.810  -4.992   0.950  1.00  0.00           H  
HETATM   82  H   UNL     1       2.391  -1.787  -0.184  1.00  0.00           H  
HETATM   83  H   UNL     1       2.520  -0.186  -0.950  1.00  0.00           H  
HETATM   84  H   UNL     1      15.424  -5.654  -0.794  1.00  0.00           H  
HETATM   85  H   UNL     1      12.597  -2.865   0.749  1.00  0.00           H  
HETATM   86  H   UNL     1      11.329   0.169   0.295  1.00  0.00           H  
HETATM   87  H   UNL     1       9.396  -2.237   1.558  1.00  0.00           H  
HETATM   88  H   UNL     1       4.181  -1.442  -1.226  1.00  0.00           H  
HETATM   89  H   UNL     1       9.038  -0.550  -0.949  1.00  0.00           H  
HETATM   90  H   UNL     1       8.746  -2.292  -0.758  1.00  0.00           H  
HETATM   91  H   UNL     1      10.287   4.394  -0.599  1.00  0.00           H  
HETATM   92  H   UNL     1      10.922   5.345  -1.963  1.00  0.00           H  
HETATM   93  H   UNL     1      10.344   3.682  -2.229  1.00  0.00           H  
HETATM   94  H   UNL     1       7.739   0.972   2.668  1.00  0.00           H  
HETATM   95  H   UNL     1       7.852  -0.721   3.205  1.00  0.00           H  
HETATM   96  H   UNL     1       5.297   0.263   2.525  1.00  0.00           H  
HETATM   97  H   UNL     1       6.547  -1.866  -1.725  1.00  0.00           H  
HETATM   98  H   UNL     1      12.765   4.478  -0.549  1.00  0.00           H  
HETATM   99  H   UNL     1      13.195  -0.310  -0.487  1.00  0.00           H  
HETATM  100  H   UNL     1      12.162  -1.102  -3.241  1.00  0.00           H  
HETATM  101  H   UNL     1      12.335   0.544  -2.579  1.00  0.00           H  
HETATM  102  H   UNL     1      14.258   0.139  -4.012  1.00  0.00           H  
HETATM  103  H   UNL     1      14.831   0.063  -2.326  1.00  0.00           H  
HETATM  104  H   UNL     1      14.156  -2.273  -4.159  1.00  0.00           H  
HETATM  105  H   UNL     1      15.752  -1.846  -3.503  1.00  0.00           H  
HETATM  106  H   UNL     1       1.620   0.460   2.316  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.188  -0.565  -0.481  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.088   0.076   2.787  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.959   1.677   2.020  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.137  -1.566  -1.042  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.672  -0.557  -1.138  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.936   1.249  -2.210  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.207  -0.260  -3.115  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.343   0.933  -2.759  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.334  -0.609  -1.870  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.674   2.123  -0.678  1.00  0.00           H  
HETATM  117  H   UNL     1      -7.617   0.926   1.458  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.057  -0.600   0.650  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.822   1.329   1.438  1.00  0.00           H  
HETATM  120  H   UNL     1     -15.888   0.025   1.717  1.00  0.00           H  
HETATM  121  H   UNL     1     -14.403  -2.925  -0.999  1.00  0.00           H  
HETATM  122  H   UNL     1     -12.338  -1.623  -1.293  1.00  0.00           H  
HETATM  123  H   UNL     1     -16.536  -0.200  -1.096  1.00  0.00           H  
HETATM  124  H   UNL     1     -18.572   0.604  -2.221  1.00  0.00           H  
HETATM  125  H   UNL     1     -20.840  -2.486  -0.343  1.00  0.00           H  
HETATM  126  H   UNL     1      14.025   0.741   0.264  1.00  0.00           H  
HETATM  127  H   UNL     1      14.617  -0.230   1.634  1.00  0.00           H  
HETATM  128  H   UNL     1      13.360  -0.884   0.556  1.00  0.00           H  
HETATM  129  H   UNL     1      12.402   2.359   3.176  1.00  0.00           H  
HETATM  130  H   UNL     1      14.065   1.727   3.131  1.00  0.00           H  
HETATM  131  H   UNL     1      13.419   2.631   1.740  1.00  0.00           H  
HETATM  132  H   UNL     1      12.737  -1.340   2.811  1.00  0.00           H  
HETATM  133  H   UNL     1      12.732  -0.004   3.987  1.00  0.00           H  
HETATM  134  H   UNL     1      11.233  -0.446   3.136  1.00  0.00           H  
HETATM  135  H   UNL     1      14.196   4.971  -3.742  1.00  0.00           H  
HETATM  136  H   UNL     1      12.865   5.806  -2.907  1.00  0.00           H  
HETATM  137  H   UNL     1      14.318   5.322  -2.001  1.00  0.00           H  
HETATM  138  H   UNL     1      10.671  -1.422  -1.427  1.00  0.00           H  
HETATM  139  H   UNL     1      11.092   3.002   0.963  1.00  0.00           H  
HETATM  140  H   UNL     1     -13.095   3.303  -1.903  1.00  0.00           H  
HETATM  141  H   UNL     1     -14.052   4.254  -0.902  1.00  0.00           H  
HETATM  142  H   UNL     1      -8.706   3.812  -0.516  1.00  0.00           H  
HETATM  143  H   UNL     1     -10.217   4.509  -0.282  1.00  0.00           H  
HETATM  144  H   UNL     1      12.434   3.441  -3.265  1.00  0.00           H  
CONECT    1   25    4    4   80                                       
CONECT    2    5    5    4   81                                       
CONECT    3   74   27   82   83                                       
CONECT    4    1    1    2   84                                       
CONECT    5   26    2    2   85                                       
CONECT    6   77   77   68   19                                       
CONECT    7   54    8   68   86                                       
CONECT    8   61    7   72   72                                       
CONECT    9   16   16   11   15                                       
CONECT   10   13   61   20   87                                       
CONECT   11   18   18    9   13                                       
CONECT   12   17   17   18   88                                       
CONECT   13   11   10   89   90                                       
CONECT   14   19   91   92   93                                       
CONECT   15    9   61   94   95                                       
CONECT   16   17    9    9   96                                       
CONECT   17   74   12   12   16                                       
CONECT   18   12   11   11   97                                       
CONECT   19    6   71   14   98                                       
CONECT   20   10   73   73   62                                       
CONECT   21   22   62   26   99                                       
CONECT   22   23   21  100  101                                       
CONECT   23   22   24  102  103                                       
CONECT   24   23   25  104  105                                       
CONECT   25   24   26   26    1                                       
CONECT   26   21   25   25    5                                       
CONECT   27    3   64   64   28                                       
CONECT   28   27   63   63  106                                       
CONECT   29   30   30   63   31                                       
CONECT   30   64   29   29  107                                       
CONECT   31   29   75  108  109                                       
CONECT   32   65   76   76   75                                       
CONECT   33   34   65  110  111                                       
CONECT   34   35   33  112  113                                       
CONECT   35   36   34  114  115                                       
CONECT   36   66   35   37  116                                       
CONECT   37   36   65  117  118                                       
CONECT   38   39   39   70   66                                       
CONECT   39   53   40   38   38                                       
CONECT   40   39   41   67   67                                       
CONECT   41   42   40   46   46                                       
CONECT   42   43   43   41  119                                       
CONECT   43   42   42   44  120                                       
CONECT   44   43   78   45   45                                       
CONECT   45   44   44   46  121                                       
CONECT   46   41   41   45  122                                       
CONECT   47   78   48   48   52                                       
CONECT   48   47   47   49  123                                       
CONECT   49   48   50   50  124                                       
CONECT   50   49   49   51   60                                       
CONECT   51   52   52   50  125                                       
CONECT   52   47   59   51   51                                       
CONECT   53   79   79   69   39                                       
CONECT   54   55   56    7   57                                       
CONECT   55   54  126  127  128                                       
CONECT   56   54  129  130  131                                       
CONECT   57   54  132  133  134                                       
CONECT   58   71  135  136  137                                       
CONECT   59   52                                                      
CONECT   60   50                                                      
CONECT   61   15   10    8                                            
CONECT   62   20   21  138                                            
CONECT   63   28   28   29                                            
CONECT   64   27   27   30                                            
CONECT   65   37   33   32                                            
CONECT   66   38   67   36                                            
CONECT   67   40   40   66                                            
CONECT   68    7    6  139                                            
CONECT   69   53  140  141                                            
CONECT   70   38  142  143                                            
CONECT   71   58   19  144                                            
CONECT   72    8    8                                                 
CONECT   73   20   20                                                 
CONECT   74    3   17                                                 
CONECT   75   32   31                                                 
CONECT   76   32   32                                                 
CONECT   77    6    6                                                 
CONECT   78   44   47                                                 
CONECT   79   53   53                                                 
CONECT   80    1                                                      
CONECT   81    2                                                      
CONECT   82    3                                                      
CONECT   83    3                                                      
CONECT   84    4                                                      
CONECT   85    5                                                      
CONECT   86    7                                                      
CONECT   87   10                                                      
CONECT   88   12                                                      
CONECT   89   13                                                      
CONECT   90   13                                                      
CONECT   91   14                                                      
CONECT   92   14                                                      
CONECT   93   14                                                      
CONECT   94   15                                                      
CONECT   95   15                                                      
CONECT   96   16                                                      
CONECT   97   18                                                      
CONECT   98   19                                                      
CONECT   99   21                                                      
CONECT  100   22                                                      
CONECT  101   22                                                      
CONECT  102   23                                                      
CONECT  103   23                                                      
CONECT  104   24                                                      
CONECT  105   24                                                      
CONECT  106   28                                                      
CONECT  107   30                                                      
CONECT  108   31                                                      
CONECT  109   31                                                      
CONECT  110   33                                                      
CONECT  111   33                                                      
CONECT  112   34                                                      
CONECT  113   34                                                      
CONECT  114   35                                                      
CONECT  115   35                                                      
CONECT  116   36                                                      
CONECT  117   37                                                      
CONECT  118   37                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   48                                                      
CONECT  124   49                                                      
CONECT  125   51                                                      
CONECT  126   55                                                      
CONECT  127   55                                                      
CONECT  128   55                                                      
CONECT  129   56                                                      
CONECT  130   56                                                      
CONECT  131   56                                                      
CONECT  132   57                                                      
CONECT  133   57                                                      
CONECT  134   57                                                      
CONECT  135   58                                                      
CONECT  136   58                                                      
CONECT  137   58                                                      
CONECT  138   62                                                      
CONECT  139   68                                                      
CONECT  140   69                                                      
CONECT  141   69                                                      
CONECT  142   70                                                      
CONECT  143   70                                                      
CONECT  144   71                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
