COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.478   3.876   0.139  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.932   3.600   1.543  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.498   3.072   1.426  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.319   4.097   1.057  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.744  -1.092   1.837  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.984   0.147  -1.354  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.051   0.083  -0.257  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.494   1.821   0.545  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.397   2.594  -0.694  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.884   2.878  -2.116  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.442   5.154   0.436  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.653  -0.980   0.770  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.476  -2.252  -0.889  1.00  0.00           C  
HETATM   14  C   UNL     1       2.063  -1.633   1.243  1.00  0.00           C  
HETATM   15  C   UNL     1       2.696  -0.266   1.242  1.00  0.00           C  
HETATM   16  C   UNL     1       3.633   0.023   2.111  1.00  0.00           C  
HETATM   17  C   UNL     1       4.140  -1.039   3.053  1.00  0.00           C  
HETATM   18  C   UNL     1       5.394  -1.688   2.463  1.00  0.00           C  
HETATM   19  C   UNL     1       5.901  -2.749   3.404  1.00  0.00           C  
HETATM   20  C   UNL     1       5.988  -3.993   3.003  1.00  0.00           C  
HETATM   21  C   UNL     1       5.531  -4.372   1.618  1.00  0.00           C  
HETATM   22  C   UNL     1       6.725  -4.343   0.661  1.00  0.00           C  
HETATM   23  C   UNL     1       6.268  -4.722  -0.724  1.00  0.00           C  
HETATM   24  C   UNL     1       6.429  -3.885  -1.719  1.00  0.00           C  
HETATM   25  C   UNL     1       6.998  -2.512  -1.464  1.00  0.00           C  
HETATM   26  C   UNL     1       8.517  -2.548  -1.648  1.00  0.00           C  
HETATM   27  C   UNL     1       9.085  -1.176  -1.393  1.00  0.00           C  
HETATM   28  C   UNL     1       9.823  -0.593  -2.306  1.00  0.00           C  
HETATM   29  C   UNL     1      10.285   0.828  -2.106  1.00  0.00           C  
HETATM   30  C   UNL     1      11.688   0.826  -1.495  1.00  0.00           C  
HETATM   31  C   UNL     1      12.151   2.247  -1.296  1.00  0.00           C  
HETATM   32  C   UNL     1      12.439   2.679  -0.093  1.00  0.00           C  
HETATM   33  C   UNL     1      13.017   4.058   0.093  1.00  0.00           C  
HETATM   34  C   UNL     1      11.890   5.045   0.405  1.00  0.00           C  
HETATM   35  C   UNL     1      12.468   6.425   0.591  1.00  0.00           C  
HETATM   36  C   UNL     1      12.088   7.405  -0.190  1.00  0.00           C  
HETATM   37  C   UNL     1      11.108   7.144  -1.304  1.00  0.00           C  
HETATM   38  C   UNL     1      12.632   8.794   0.026  1.00  0.00           C  
HETATM   39  C   UNL     1      12.193   1.797   1.104  1.00  0.00           C  
HETATM   40  C   UNL     1      10.209  -1.343  -3.554  1.00  0.00           C  
HETATM   41  C   UNL     1       6.046  -4.294  -3.118  1.00  0.00           C  
HETATM   42  C   UNL     1       6.546  -5.045   3.926  1.00  0.00           C  
HETATM   43  C   UNL     1       4.203   1.416   2.170  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.827  -1.241  -1.983  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.748  -2.102  -3.991  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.646  -2.069  -5.019  1.00  0.00           C  
HETATM   47  N   UNL     1      -7.646   4.100   0.822  1.00  0.00           N  
HETATM   48  N   UNL     1      -4.756  -1.209  -2.982  1.00  0.00           N  
HETATM   49  O   UNL     1      -6.383   1.084  -2.356  1.00  0.00           O  
HETATM   50  O   UNL     1      -7.152   1.355   0.386  1.00  0.00           O  
HETATM   51  O   UNL     1      -9.043   2.140  -0.735  1.00  0.00           O  
HETATM   52  O   UNL     1     -10.919   1.659  -2.861  1.00  0.00           O  
HETATM   53  O   UNL     1     -11.839   4.300   0.231  1.00  0.00           O  
HETATM   54  O   UNL     1      -9.935   4.810   2.303  1.00  0.00           O  
HETATM   55  O   UNL     1      -5.830   3.245   1.768  1.00  0.00           O  
HETATM   56  O   UNL     1      -7.307  -1.972   2.875  1.00  0.00           O  
HETATM   57  O   UNL     1      -6.496  -2.240   0.115  1.00  0.00           O  
HETATM   58  O   UNL     1      -4.223  -1.901  -0.300  1.00  0.00           O  
HETATM   59  O   UNL     1      -2.902  -4.015  -0.697  1.00  0.00           O  
HETATM   60  O   UNL     1      -1.850  -2.257   0.776  1.00  0.00           O  
HETATM   61  O   UNL     1      -0.310  -3.524   2.489  1.00  0.00           O  
HETATM   62  O   UNL     1       0.647  -1.503   1.107  1.00  0.00           O  
HETATM   63  O   UNL     1       0.072  -3.697  -0.001  1.00  0.00           O  
HETATM   64  O   UNL     1      -3.895  -3.688   1.600  1.00  0.00           O  
HETATM   65  O   UNL     1      -5.628  -2.933  -4.073  1.00  0.00           O  
HETATM   66  P   UNL     1      -3.211  -2.988   0.322  1.00  0.00           P  
HETATM   67  P   UNL     1      -0.351  -2.765   1.069  1.00  0.00           P  
HETATM   68  H   UNL     1      -9.884   4.657  -0.336  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.556   2.857   2.038  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.121   2.821   2.418  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.944  -0.106   2.257  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.654  -1.486   1.386  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.034   0.460  -0.920  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.012  -0.179  -0.700  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.095   1.043   1.015  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.024   1.826  -0.242  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.885   3.309  -2.078  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.205   3.580  -2.600  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.767   6.139   0.771  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.407   4.991   0.737  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.517   5.097  -0.650  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.712  -0.695   1.241  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.406  -3.249  -1.324  1.00  0.00           H  
HETATM   84  H   UNL     1       2.456  -2.216   0.410  1.00  0.00           H  
HETATM   85  H   UNL     1       2.293  -2.140   2.180  1.00  0.00           H  
HETATM   86  H   UNL     1       2.378   0.476   0.525  1.00  0.00           H  
HETATM   87  H   UNL     1       4.384  -0.586   4.014  1.00  0.00           H  
HETATM   88  H   UNL     1       3.370  -1.798   3.194  1.00  0.00           H  
HETATM   89  H   UNL     1       5.150  -2.141   1.502  1.00  0.00           H  
HETATM   90  H   UNL     1       6.163  -0.929   2.322  1.00  0.00           H  
HETATM   91  H   UNL     1       6.192  -2.485   4.410  1.00  0.00           H  
HETATM   92  H   UNL     1       5.106  -5.375   1.637  1.00  0.00           H  
HETATM   93  H   UNL     1       4.776  -3.663   1.278  1.00  0.00           H  
HETATM   94  H   UNL     1       7.151  -3.340   0.642  1.00  0.00           H  
HETATM   95  H   UNL     1       7.480  -5.051   1.001  1.00  0.00           H  
HETATM   96  H   UNL     1       5.808  -5.683  -0.897  1.00  0.00           H  
HETATM   97  H   UNL     1       6.563  -1.803  -2.168  1.00  0.00           H  
HETATM   98  H   UNL     1       6.762  -2.205  -0.445  1.00  0.00           H  
HETATM   99  H   UNL     1       8.951  -3.257  -0.944  1.00  0.00           H  
HETATM  100  H   UNL     1       8.752  -2.855  -2.667  1.00  0.00           H  
HETATM  101  H   UNL     1       8.885  -0.673  -0.459  1.00  0.00           H  
HETATM  102  H   UNL     1      10.309   1.341  -3.068  1.00  0.00           H  
HETATM  103  H   UNL     1       9.598   1.343  -1.436  1.00  0.00           H  
HETATM  104  H   UNL     1      11.665   0.313  -0.534  1.00  0.00           H  
HETATM  105  H   UNL     1      12.376   0.311  -2.166  1.00  0.00           H  
HETATM  106  H   UNL     1      12.244   2.908  -2.144  1.00  0.00           H  
HETATM  107  H   UNL     1      13.728   4.046   0.919  1.00  0.00           H  
HETATM  108  H   UNL     1      13.527   4.365  -0.820  1.00  0.00           H  
HETATM  109  H   UNL     1      11.179   5.058  -0.422  1.00  0.00           H  
HETATM  110  H   UNL     1      11.381   4.739   1.318  1.00  0.00           H  
HETATM  111  H   UNL     1      13.196   6.605   1.369  1.00  0.00           H  
HETATM  112  H   UNL     1      10.092   7.190  -0.913  1.00  0.00           H  
HETATM  113  H   UNL     1      11.232   7.898  -2.082  1.00  0.00           H  
HETATM  114  H   UNL     1      11.291   6.155  -1.725  1.00  0.00           H  
HETATM  115  H   UNL     1      13.321   8.788   0.870  1.00  0.00           H  
HETATM  116  H   UNL     1      13.158   9.122  -0.871  1.00  0.00           H  
HETATM  117  H   UNL     1      11.809   9.478   0.234  1.00  0.00           H  
HETATM  118  H   UNL     1      13.032   1.113   1.230  1.00  0.00           H  
HETATM  119  H   UNL     1      12.090   2.415   1.995  1.00  0.00           H  
HETATM  120  H   UNL     1      11.277   1.225   0.951  1.00  0.00           H  
HETATM  121  H   UNL     1       9.411  -1.257  -4.291  1.00  0.00           H  
HETATM  122  H   UNL     1      11.127  -0.920  -3.963  1.00  0.00           H  
HETATM  123  H   UNL     1      10.369  -2.393  -3.312  1.00  0.00           H  
HETATM  124  H   UNL     1       5.005  -4.027  -3.302  1.00  0.00           H  
HETATM  125  H   UNL     1       6.685  -3.778  -3.835  1.00  0.00           H  
HETATM  126  H   UNL     1       6.170  -5.371  -3.228  1.00  0.00           H  
HETATM  127  H   UNL     1       5.736  -5.482   4.511  1.00  0.00           H  
HETATM  128  H   UNL     1       7.031  -5.825   3.338  1.00  0.00           H  
HETATM  129  H   UNL     1       7.274  -4.590   4.598  1.00  0.00           H  
HETATM  130  H   UNL     1       5.059   1.487   1.498  1.00  0.00           H  
HETATM  131  H   UNL     1       3.441   2.134   1.865  1.00  0.00           H  
HETATM  132  H   UNL     1       4.522   1.636   3.189  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.762  -1.532  -2.462  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.954  -1.261  -4.782  1.00  0.00           H  
HETATM  135  H   UNL     1      -3.113  -3.019  -5.010  1.00  0.00           H  
HETATM  136  H   UNL     1      -4.076  -1.902  -6.007  1.00  0.00           H  
HETATM  137  H   UNL     1      -8.037   4.781   0.254  1.00  0.00           H  
HETATM  138  H   UNL     1      -4.052  -0.544  -2.917  1.00  0.00           H  
HETATM  139  H   UNL     1      -5.753   1.173  -3.084  1.00  0.00           H  
HETATM  140  H   UNL     1     -11.220   1.764  -3.774  1.00  0.00           H  
HETATM  141  H   UNL     1     -12.251   4.491  -0.623  1.00  0.00           H  
HETATM  142  H   UNL     1     -10.811   5.204   2.411  1.00  0.00           H  
HETATM  143  H   UNL     1      -7.950  -2.091   3.587  1.00  0.00           H  
HETATM  144  H   UNL     1      -0.576  -2.973   3.237  1.00  0.00           H  
HETATM  145  H   UNL     1      -4.125  -3.073   2.310  1.00  0.00           H  
CONECT    1    2    9   53   68                                       
CONECT    2    3   54    1   69                                       
CONECT    3   47    8    2   70                                       
CONECT    4   11   55   55   47                                       
CONECT    5   56   12   71   72                                       
CONECT    6   44    7   49   73                                       
CONECT    7   12    6   50   74                                       
CONECT    8   50    3   51   75                                       
CONECT    9   51    1   10   76                                       
CONECT   10    9   52   77   78                                       
CONECT   11    4   79   80   81                                       
CONECT   12   57    5    7   82                                       
CONECT   13   58   57   44   83                                       
CONECT   14   15   62   84   85                                       
CONECT   15   16   16   14   86                                       
CONECT   16   43   17   15   15                                       
CONECT   17   16   18   87   88                                       
CONECT   18   17   19   89   90                                       
CONECT   19   18   20   20   91                                       
CONECT   20   21   19   19   42                                       
CONECT   21   22   20   92   93                                       
CONECT   22   23   21   94   95                                       
CONECT   23   24   24   22   96                                       
CONECT   24   25   41   23   23                                       
CONECT   25   26   24   97   98                                       
CONECT   26   25   27   99  100                                       
CONECT   27   26   28   28  101                                       
CONECT   28   27   27   40   29                                       
CONECT   29   28   30  102  103                                       
CONECT   30   31   29  104  105                                       
CONECT   31   32   32   30  106                                       
CONECT   32   33   31   31   39                                       
CONECT   33   34   32  107  108                                       
CONECT   34   35   33  109  110                                       
CONECT   35   36   36   34  111                                       
CONECT   36   37   38   35   35                                       
CONECT   37   36  112  113  114                                       
CONECT   38   36  115  116  117                                       
CONECT   39   32  118  119  120                                       
CONECT   40   28  121  122  123                                       
CONECT   41   24  124  125  126                                       
CONECT   42   20  127  128  129                                       
CONECT   43   16  130  131  132                                       
CONECT   44   13   48    6  133                                       
CONECT   45   65   65   48   46                                       
CONECT   46   45  134  135  136                                       
CONECT   47    4    3  137                                            
CONECT   48   44   45  138                                            
CONECT   49    6  139                                                 
CONECT   50    7    8                                                 
CONECT   51    8    9                                                 
CONECT   52   10  140                                                 
CONECT   53    1  141                                                 
CONECT   54    2  142                                                 
CONECT   55    4    4                                                 
CONECT   56    5  143                                                 
CONECT   57   13   12                                                 
CONECT   58   66   13                                                 
CONECT   59   66   66                                                 
CONECT   60   66   67                                                 
CONECT   61   67  144                                                 
CONECT   62   14   67                                                 
CONECT   63   67   67                                                 
CONECT   64   66  145                                                 
CONECT   65   45   45                                                 
CONECT   66   59   59   64   58                                       
CONECT   66   60                                                      
CONECT   67   60   63   63   62                                       
CONECT   67   61                                                      
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    5                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   10                                                      
CONECT   78   10                                                      
CONECT   79   11                                                      
CONECT   80   11                                                      
CONECT   81   11                                                      
CONECT   82   12                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   14                                                      
CONECT   86   15                                                      
CONECT   87   17                                                      
CONECT   88   17                                                      
CONECT   89   18                                                      
CONECT   90   18                                                      
CONECT   91   19                                                      
CONECT   92   21                                                      
CONECT   93   21                                                      
CONECT   94   22                                                      
CONECT   95   22                                                      
CONECT   96   23                                                      
CONECT   97   25                                                      
CONECT   98   25                                                      
CONECT   99   26                                                      
CONECT  100   26                                                      
CONECT  101   27                                                      
CONECT  102   29                                                      
CONECT  103   29                                                      
CONECT  104   30                                                      
CONECT  105   30                                                      
CONECT  106   31                                                      
CONECT  107   33                                                      
CONECT  108   33                                                      
CONECT  109   34                                                      
CONECT  110   34                                                      
CONECT  111   35                                                      
CONECT  112   37                                                      
CONECT  113   37                                                      
CONECT  114   37                                                      
CONECT  115   38                                                      
CONECT  116   38                                                      
CONECT  117   38                                                      
CONECT  118   39                                                      
CONECT  119   39                                                      
CONECT  120   39                                                      
CONECT  121   40                                                      
CONECT  122   40                                                      
CONECT  123   40                                                      
CONECT  124   41                                                      
CONECT  125   41                                                      
CONECT  126   41                                                      
CONECT  127   42                                                      
CONECT  128   42                                                      
CONECT  129   42                                                      
CONECT  130   43                                                      
CONECT  131   43                                                      
CONECT  132   43                                                      
CONECT  133   44                                                      
CONECT  134   46                                                      
CONECT  135   46                                                      
CONECT  136   46                                                      
CONECT  137   47                                                      
CONECT  138   48                                                      
CONECT  139   49                                                      
CONECT  140   52                                                      
CONECT  141   53                                                      
CONECT  142   54                                                      
CONECT  143   56                                                      
CONECT  144   61                                                      
CONECT  145   64                                                      
MASTER        0    0    0    0    0    0    0    0  145    0  145    0
END
