COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.056   3.672  -0.994  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.462   7.050   0.203  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   5.618   0.125  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.198   5.082  -0.544  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.416   5.243   0.365  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.366   4.094   0.090  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.084   1.788   0.447  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.640  -0.575   0.793  1.00  0.00           C  
HETATM    9  C   UNL     1       1.281   0.939  -1.110  1.00  0.00           C  
HETATM   10  O   UNL     1       1.175  -0.287  -1.654  1.00  0.00           O  
HETATM   11  O   UNL     1       1.118   1.126   0.071  1.00  0.00           O  
HETATM   12  C   UNL     1       1.640   2.085  -2.023  1.00  0.00           C  
HETATM   13  C   UNL     1       3.142   2.042  -2.320  1.00  0.00           C  
HETATM   14  C   UNL     1       3.588   3.237  -3.149  1.00  0.00           C  
HETATM   15  C   UNL     1       3.021   4.554  -2.635  1.00  0.00           C  
HETATM   16  C   UNL     1       2.390   4.365  -1.250  1.00  0.00           C  
HETATM   17  N   UNL     1       1.305   3.375  -1.402  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.729   2.779  -0.744  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.377   5.088  -0.852  1.00  0.00           C  
HETATM   20  O   UNL     1       0.228   5.931  -1.471  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.540   5.537  -0.024  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.785   5.214  -0.641  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.466   4.892   1.255  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.692   7.734  -0.392  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.978   7.145   0.186  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.023   5.224   1.737  1.00  0.00           O  
HETATM   27  C   UNL     1      -7.209   2.927   0.706  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.852   0.629   1.091  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.320  -1.694   1.429  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.946  -3.024   1.143  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.976  -4.154   1.473  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.781  -4.241   0.532  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.163  -5.617   0.651  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.587  -6.390   1.476  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.027  -6.026  -0.250  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.471  -7.063  -1.130  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.854  -6.537   0.589  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.770  -5.780   1.800  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.571  -6.363  -0.187  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.106  -5.163  -0.397  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.825  -4.871  -1.128  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.256  -3.570  -0.607  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.295  -3.346   0.581  1.00  0.00           O  
HETATM   44  C   UNL     1       0.344  -2.569  -1.553  1.00  0.00           C  
HETATM   45  C   UNL     1       1.046  -1.440  -0.787  1.00  0.00           C  
HETATM   46  C   UNL     1       2.436  -1.915  -0.357  1.00  0.00           C  
HETATM   47  C   UNL     1       3.149  -0.789   0.395  1.00  0.00           C  
HETATM   48  C   UNL     1       4.576  -1.225   0.731  1.00  0.00           C  
HETATM   49  C   UNL     1       5.374  -1.400  -0.563  1.00  0.00           C  
HETATM   50  C   UNL     1       6.802  -1.836  -0.228  1.00  0.00           C  
HETATM   51  O   UNL     1       7.546  -2.000  -1.436  1.00  0.00           O  
HETATM   52  C   UNL     1       7.469  -0.769   0.643  1.00  0.00           C  
HETATM   53  O   UNL     1       8.824  -1.183   0.961  1.00  0.00           O  
HETATM   54  C   UNL     1       6.672  -0.594   1.937  1.00  0.00           C  
HETATM   55  C   UNL     1       5.244  -0.158   1.601  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.364   7.352   1.699  1.00  0.00           C  
HETATM   57  C   UNL     1      -8.489   4.306  -0.891  1.00  0.00           C  
HETATM   58  C   UNL     1      -9.424  -3.117  -0.302  1.00  0.00           C  
HETATM   59  C   UNL     1      -5.720  -3.206   0.915  1.00  0.00           C  
HETATM   60  C   UNL     1      -1.854  -7.591  -0.692  1.00  0.00           C  
HETATM   61  C   UNL     1      -1.117  -4.734  -2.625  1.00  0.00           C  
HETATM   62  C   UNL     1       2.298  -3.133   0.558  1.00  0.00           C  
HETATM   63  C   UNL     1      -6.866   5.997   2.593  1.00  0.00           C  
HETATM   64  C   UNL     1      -6.020  -6.586  -2.360  1.00  0.00           C  
HETATM   65  C   UNL     1       7.481  -3.317  -1.985  1.00  0.00           C  
HETATM   66  C   UNL     1       9.730  -0.210   1.148  1.00  0.00           C  
HETATM   67  O   UNL     1       9.402   0.948   1.048  1.00  0.00           O  
HETATM   68  C   UNL     1      11.157  -0.563   1.482  1.00  0.00           C  
HETATM   69  C   UNL     1      11.750  -1.410   0.354  1.00  0.00           C  
HETATM   70  C   UNL     1      11.975   0.719   1.642  1.00  0.00           C  
HETATM   71  C   UNL     1      11.193  -1.358   2.789  1.00  0.00           C  
HETATM   72  O   UNL     1      11.716  -0.667  -0.867  1.00  0.00           O  
HETATM   73  O   UNL     1      13.328   0.384   1.958  1.00  0.00           O  
HETATM   74  H   UNL     1      -0.568   7.444  -0.290  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.851   5.203   1.125  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.372   5.629  -1.473  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.059   4.026  -0.783  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.918   6.186   0.138  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.909   1.845  -0.237  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.446  -0.518   0.090  1.00  0.00           H  
HETATM   81  H   UNL     1       1.097   1.988  -2.963  1.00  0.00           H  
HETATM   82  H   UNL     1       3.688   2.036  -1.375  1.00  0.00           H  
HETATM   83  H   UNL     1       3.373   1.126  -2.863  1.00  0.00           H  
HETATM   84  H   UNL     1       4.677   3.296  -3.118  1.00  0.00           H  
HETATM   85  H   UNL     1       3.273   3.089  -4.181  1.00  0.00           H  
HETATM   86  H   UNL     1       3.824   5.287  -2.560  1.00  0.00           H  
HETATM   87  H   UNL     1       2.267   4.919  -3.330  1.00  0.00           H  
HETATM   88  H   UNL     1       3.141   3.981  -0.557  1.00  0.00           H  
HETATM   89  H   UNL     1       2.010   5.312  -0.880  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.493   3.926   1.211  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.652   8.805  -0.169  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.688   7.602  -1.476  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.829   7.501  -0.402  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.107   7.468   1.218  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.406   2.808   1.422  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.084   0.587   1.845  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.530  -1.642   2.180  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.826  -3.136   1.799  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.614  -4.018   2.500  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.522  -5.105   1.438  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.076  -4.087  -0.500  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.699  -5.174  -0.846  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.995  -7.589   0.826  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.047  -6.049   2.383  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.676  -4.312  -0.011  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.095  -5.662  -0.967  1.00  0.00           H  
HETATM  107  H   UNL     1       1.073  -3.062  -2.195  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.448  -2.133  -2.166  1.00  0.00           H  
HETATM  109  H   UNL     1       0.459  -1.168   0.093  1.00  0.00           H  
HETATM  110  H   UNL     1       3.016  -2.187  -1.239  1.00  0.00           H  
HETATM  111  H   UNL     1       3.179   0.103  -0.230  1.00  0.00           H  
HETATM  112  H   UNL     1       2.610  -0.570   1.316  1.00  0.00           H  
HETATM  113  H   UNL     1       4.550  -2.171   1.272  1.00  0.00           H  
HETATM  114  H   UNL     1       4.898  -2.160  -1.183  1.00  0.00           H  
HETATM  115  H   UNL     1       5.400  -0.454  -1.105  1.00  0.00           H  
HETATM  116  H   UNL     1       6.775  -2.782   0.314  1.00  0.00           H  
HETATM  117  H   UNL     1       7.496   0.176   0.101  1.00  0.00           H  
HETATM  118  H   UNL     1       6.645  -1.540   2.478  1.00  0.00           H  
HETATM  119  H   UNL     1       7.147   0.166   2.556  1.00  0.00           H  
HETATM  120  H   UNL     1       5.271   0.787   1.060  1.00  0.00           H  
HETATM  121  H   UNL     1       4.676  -0.034   2.523  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.474   6.875   2.108  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.301   8.430   1.849  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.249   6.966   2.206  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.077   3.392  -0.974  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.126   5.119  -0.543  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.075   4.561  -1.867  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.577  -2.983  -0.975  1.00  0.00           H  
HETATM  129  H   UNL     1      -9.873  -4.095  -0.474  1.00  0.00           H  
HETATM  130  H   UNL     1     -10.165  -2.340  -0.490  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.382  -3.392   1.935  1.00  0.00           H  
HETATM  132  H   UNL     1      -4.874  -3.283   0.232  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.148  -2.205   0.851  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.217  -7.839  -1.689  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.783  -7.395  -0.734  1.00  0.00           H  
HETATM  136  H   UNL     1      -2.044  -8.427  -0.018  1.00  0.00           H  
HETATM  137  H   UNL     1      -1.822  -3.919  -2.784  1.00  0.00           H  
HETATM  138  H   UNL     1      -0.190  -4.523  -3.158  1.00  0.00           H  
HETATM  139  H   UNL     1      -1.546  -5.664  -2.998  1.00  0.00           H  
HETATM  140  H   UNL     1       3.279  -3.409   0.946  1.00  0.00           H  
HETATM  141  H   UNL     1       1.635  -2.890   1.388  1.00  0.00           H  
HETATM  142  H   UNL     1       1.883  -3.967  -0.007  1.00  0.00           H  
HETATM  143  H   UNL     1      -6.855   7.038   2.270  1.00  0.00           H  
HETATM  144  H   UNL     1      -7.885   5.613   2.545  1.00  0.00           H  
HETATM  145  H   UNL     1      -6.501   5.931   3.618  1.00  0.00           H  
HETATM  146  H   UNL     1      -6.881  -5.950  -2.152  1.00  0.00           H  
HETATM  147  H   UNL     1      -5.265  -6.011  -2.896  1.00  0.00           H  
HETATM  148  H   UNL     1      -6.333  -7.432  -2.971  1.00  0.00           H  
HETATM  149  H   UNL     1       8.072  -3.359  -2.901  1.00  0.00           H  
HETATM  150  H   UNL     1       7.878  -4.032  -1.264  1.00  0.00           H  
HETATM  151  H   UNL     1       6.444  -3.566  -2.211  1.00  0.00           H  
HETATM  152  H   UNL     1      12.782  -1.665   0.595  1.00  0.00           H  
HETATM  153  H   UNL     1      11.167  -2.323   0.239  1.00  0.00           H  
HETATM  154  H   UNL     1      11.950   1.285   0.711  1.00  0.00           H  
HETATM  155  H   UNL     1      11.553   1.322   2.445  1.00  0.00           H  
HETATM  156  H   UNL     1      10.610  -2.272   2.674  1.00  0.00           H  
HETATM  157  H   UNL     1      12.225  -1.613   3.030  1.00  0.00           H  
HETATM  158  H   UNL     1      10.770  -0.755   3.592  1.00  0.00           H  
HETATM  159  H   UNL     1      12.077  -1.143  -1.627  1.00  0.00           H  
HETATM  160  H   UNL     1      13.906   1.151   2.074  1.00  0.00           H  
CONECT    1   19   17   18   18                                       
CONECT    2   21   24   56   74                                       
CONECT    3    4   22   25   75                                       
CONECT    4    5    3   76   77                                       
CONECT    5   26    6    4   78                                       
CONECT    6   57   27   27    5                                       
CONECT    7   28   28   27   79                                       
CONECT    8   29   29   28   80                                       
CONECT    9   10   12   11   11                                       
CONECT   10    9   45                                                 
CONECT   11    9    9                                                 
CONECT   12   17   13    9   81                                       
CONECT   13   14   12   82   83                                       
CONECT   14   15   13   84   85                                       
CONECT   15   16   14   86   87                                       
CONECT   16   15   17   88   89                                       
CONECT   17   16    1   12                                            
CONECT   18    1    1                                                 
CONECT   19   20   20   21    1                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   23    2                                       
CONECT   22    3   21                                                 
CONECT   23   21   90                                                 
CONECT   24   25    2   91   92                                       
CONECT   25    3   24   93   94                                       
CONECT   26   63    5                                                 
CONECT   27    7    6    6   95                                       
CONECT   28    8    7    7   96                                       
CONECT   29   30    8    8   97                                       
CONECT   30   58   29   31   98                                       
CONECT   31   30   32   99  100                                       
CONECT   32   59   31   33  101                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   37   36  102                                       
CONECT   36   35   64                                                 
CONECT   37   35   39   38  103                                       
CONECT   38   37  104                                                 
CONECT   39   40   40   60   37                                       
CONECT   40   41   39   39  105                                       
CONECT   41   61   40   42  106                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45  107  108                                       
CONECT   45   44   10   46  109                                       
CONECT   46   45   62   47  110                                       
CONECT   47   46   48  111  112                                       
CONECT   48   47   49   55  113                                       
CONECT   49   48   50  114  115                                       
CONECT   50   49   51   52  116                                       
CONECT   51   65   50                                                 
CONECT   52   50   54   53  117                                       
CONECT   53   52   66                                                 
CONECT   54   55   52  118  119                                       
CONECT   55   48   54  120  121                                       
CONECT   56    2  122  123  124                                       
CONECT   57    6  125  126  127                                       
CONECT   58   30  128  129  130                                       
CONECT   59   32  131  132  133                                       
CONECT   60   39  134  135  136                                       
CONECT   61   41  137  138  139                                       
CONECT   62   46  140  141  142                                       
CONECT   63   26  143  144  145                                       
CONECT   64   36  146  147  148                                       
CONECT   65   51  149  150  151                                       
CONECT   66   67   67   53   68                                       
CONECT   67   66   66                                                 
CONECT   68   66   71   69   70                                       
CONECT   69   72   68  152  153                                       
CONECT   70   68   73  154  155                                       
CONECT   71   68  156  157  158                                       
CONECT   72   69  159                                                 
CONECT   73   70  160                                                 
CONECT   74    2                                                      
CONECT   75    3                                                      
CONECT   76    4                                                      
CONECT   77    4                                                      
CONECT   78    5                                                      
CONECT   79    7                                                      
CONECT   80    8                                                      
CONECT   81   12                                                      
CONECT   82   13                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   14                                                      
CONECT   86   15                                                      
CONECT   87   15                                                      
CONECT   88   16                                                      
CONECT   89   16                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   35                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   40                                                      
CONECT  106   41                                                      
CONECT  107   44                                                      
CONECT  108   44                                                      
CONECT  109   45                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   47                                                      
CONECT  113   48                                                      
CONECT  114   49                                                      
CONECT  115   49                                                      
CONECT  116   50                                                      
CONECT  117   52                                                      
CONECT  118   54                                                      
CONECT  119   54                                                      
CONECT  120   55                                                      
CONECT  121   55                                                      
CONECT  122   56                                                      
CONECT  123   56                                                      
CONECT  124   56                                                      
CONECT  125   57                                                      
CONECT  126   57                                                      
CONECT  127   57                                                      
CONECT  128   58                                                      
CONECT  129   58                                                      
CONECT  130   58                                                      
CONECT  131   59                                                      
CONECT  132   59                                                      
CONECT  133   59                                                      
CONECT  134   60                                                      
CONECT  135   60                                                      
CONECT  136   60                                                      
CONECT  137   61                                                      
CONECT  138   61                                                      
CONECT  139   61                                                      
CONECT  140   62                                                      
CONECT  141   62                                                      
CONECT  142   62                                                      
CONECT  143   63                                                      
CONECT  144   63                                                      
CONECT  145   63                                                      
CONECT  146   64                                                      
CONECT  147   64                                                      
CONECT  148   64                                                      
CONECT  149   65                                                      
CONECT  150   65                                                      
CONECT  151   65                                                      
CONECT  152   69                                                      
CONECT  153   69                                                      
CONECT  154   70                                                      
CONECT  155   70                                                      
CONECT  156   71                                                      
CONECT  157   71                                                      
CONECT  158   71                                                      
CONECT  159   72                                                      
CONECT  160   73                                                      
MASTER        0    0    0    0    0    0    0    0  160    0  160    0
END
