COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.012   4.937   0.103  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.484   4.286  -0.815  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.778   3.970  -0.797  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.316   3.263  -1.781  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.654   2.943  -1.752  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.510   2.840  -2.858  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.196   3.169  -2.862  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.690   3.902  -1.831  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.272   4.270  -1.826  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.649   3.856  -0.590  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.114   5.806  -1.852  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.858   6.261  -3.182  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.896   6.075  -0.941  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.847   6.703  -1.680  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.461   4.668  -0.472  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.989   4.714   0.983  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.483   3.432   1.360  1.00  0.00           O  
HETATM   18  P   UNL     1      -0.900   3.116   2.827  1.00  0.00           P  
HETATM   19  O   UNL     1       0.172   4.083   3.150  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.082   3.243   3.913  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.302   1.621   2.857  1.00  0.00           O  
HETATM   22  P   UNL     1       0.664   0.823   3.868  1.00  0.00           P  
HETATM   23  O   UNL     1       1.742   1.723   4.333  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.190   0.309   5.132  1.00  0.00           O  
HETATM   25  O   UNL     1       1.310  -0.440   3.107  1.00  0.00           O  
HETATM   26  C   UNL     1       2.293  -1.289   3.704  1.00  0.00           C  
HETATM   27  C   UNL     1       2.689  -2.385   2.714  1.00  0.00           C  
HETATM   28  O   UNL     1       3.345  -1.786   1.565  1.00  0.00           O  
HETATM   29  C   UNL     1       4.678  -1.645   1.629  1.00  0.00           C  
HETATM   30  O   UNL     1       5.278  -2.011   2.613  1.00  0.00           O  
HETATM   31  C   UNL     1       5.428  -1.031   0.475  1.00  0.00           C  
HETATM   32  C   UNL     1       6.922  -0.988   0.802  1.00  0.00           C  
HETATM   33  C   UNL     1       7.683  -0.365  -0.370  1.00  0.00           C  
HETATM   34  C   UNL     1       9.177  -0.322  -0.043  1.00  0.00           C  
HETATM   35  C   UNL     1       9.938   0.301  -1.215  1.00  0.00           C  
HETATM   36  C   UNL     1      11.432   0.344  -0.888  1.00  0.00           C  
HETATM   37  C   UNL     1      12.193   0.967  -2.060  1.00  0.00           C  
HETATM   38  C   UNL     1      13.664   1.010  -1.737  1.00  0.00           C  
HETATM   39  C   UNL     1      14.530   0.461  -2.553  1.00  0.00           C  
HETATM   40  C   UNL     1      16.001   0.503  -2.231  1.00  0.00           C  
HETATM   41  C   UNL     1      16.565  -0.919  -2.236  1.00  0.00           C  
HETATM   42  C   UNL     1      18.059  -0.876  -1.909  1.00  0.00           C  
HETATM   43  C   UNL     1      18.624  -2.298  -1.913  1.00  0.00           C  
HETATM   44  C   UNL     1      20.118  -2.255  -1.586  1.00  0.00           C  
HETATM   45  C   UNL     1      20.682  -3.677  -1.590  1.00  0.00           C  
HETATM   46  C   UNL     1       1.437  -3.133   2.253  1.00  0.00           C  
HETATM   47  O   UNL     1       0.478  -2.186   1.714  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.684  -2.684   1.263  1.00  0.00           C  
HETATM   49  O   UNL     1      -0.892  -3.873   1.316  1.00  0.00           O  
HETATM   50  C   UNL     1      -1.728  -1.761   0.689  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.946  -2.578   0.252  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.006  -1.641  -0.330  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.224  -2.457  -0.767  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.284  -1.520  -1.349  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.502  -2.336  -1.787  1.00  0.00           C  
HETATM   56  C   UNL     1      -8.562  -1.399  -2.369  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.761  -2.203  -2.799  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.950  -1.904  -2.338  1.00  0.00           C  
HETATM   59  C   UNL     1     -12.150  -2.708  -2.769  1.00  0.00           C  
HETATM   60  C   UNL     1     -12.876  -3.243  -1.533  1.00  0.00           C  
HETATM   61  C   UNL     1     -14.094  -4.060  -1.970  1.00  0.00           C  
HETATM   62  C   UNL     1     -14.819  -4.595  -0.734  1.00  0.00           C  
HETATM   63  C   UNL     1     -16.037  -5.411  -1.171  1.00  0.00           C  
HETATM   64  C   UNL     1     -16.763  -5.946   0.065  1.00  0.00           C  
HETATM   65  H   UNL     1     -10.206   3.235  -1.010  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.045   2.425  -2.473  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.933   2.263  -3.667  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.558   2.857  -3.675  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.761   3.820  -2.677  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.005   6.288  -1.450  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.751   7.219  -3.257  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.184   6.689  -0.088  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.086   7.564  -2.049  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.671   4.281  -1.116  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.201   5.460   1.086  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.827   4.978   1.628  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.821   2.637   3.763  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.916  -0.286   4.901  1.00  0.00           H  
HETATM   79  H   UNL     1       3.172  -0.699   3.964  1.00  0.00           H  
HETATM   80  H   UNL     1       1.881  -1.744   4.605  1.00  0.00           H  
HETATM   81  H   UNL     1       3.372  -3.083   3.198  1.00  0.00           H  
HETATM   82  H   UNL     1       5.269  -1.631  -0.421  1.00  0.00           H  
HETATM   83  H   UNL     1       5.064  -0.018   0.303  1.00  0.00           H  
HETATM   84  H   UNL     1       7.081  -0.389   1.698  1.00  0.00           H  
HETATM   85  H   UNL     1       7.286  -2.001   0.974  1.00  0.00           H  
HETATM   86  H   UNL     1       7.524  -0.965  -1.266  1.00  0.00           H  
HETATM   87  H   UNL     1       7.319   0.648  -0.542  1.00  0.00           H  
HETATM   88  H   UNL     1       9.335   0.278   0.854  1.00  0.00           H  
HETATM   89  H   UNL     1       9.541  -1.335   0.129  1.00  0.00           H  
HETATM   90  H   UNL     1       9.779  -0.299  -2.111  1.00  0.00           H  
HETATM   91  H   UNL     1       9.574   1.314  -1.387  1.00  0.00           H  
HETATM   92  H   UNL     1      11.590   0.944   0.009  1.00  0.00           H  
HETATM   93  H   UNL     1      11.795  -0.669  -0.716  1.00  0.00           H  
HETATM   94  H   UNL     1      12.034   0.367  -2.956  1.00  0.00           H  
HETATM   95  H   UNL     1      11.829   1.980  -2.231  1.00  0.00           H  
HETATM   96  H   UNL     1      14.006   1.493  -0.834  1.00  0.00           H  
HETATM   97  H   UNL     1      14.188  -0.022  -3.457  1.00  0.00           H  
HETATM   98  H   UNL     1      16.520   1.102  -2.980  1.00  0.00           H  
HETATM   99  H   UNL     1      16.145   0.948  -1.247  1.00  0.00           H  
HETATM  100  H   UNL     1      16.047  -1.518  -1.487  1.00  0.00           H  
HETATM  101  H   UNL     1      16.422  -1.364  -3.220  1.00  0.00           H  
HETATM  102  H   UNL     1      18.578  -0.277  -2.657  1.00  0.00           H  
HETATM  103  H   UNL     1      18.203  -0.431  -0.924  1.00  0.00           H  
HETATM  104  H   UNL     1      18.105  -2.897  -1.165  1.00  0.00           H  
HETATM  105  H   UNL     1      18.480  -2.743  -2.898  1.00  0.00           H  
HETATM  106  H   UNL     1      20.636  -1.656  -2.334  1.00  0.00           H  
HETATM  107  H   UNL     1      20.261  -1.811  -0.601  1.00  0.00           H  
HETATM  108  H   UNL     1      20.163  -4.277  -0.842  1.00  0.00           H  
HETATM  109  H   UNL     1      20.538  -4.122  -2.575  1.00  0.00           H  
HETATM  110  H   UNL     1       1.707  -3.855   1.482  1.00  0.00           H  
HETATM  111  H   UNL     1       0.994  -3.657   3.100  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.029  -1.038   1.447  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.315  -1.236  -0.172  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.645  -3.301  -0.506  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.359  -3.103   1.113  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.307  -0.917   0.428  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.593  -1.115  -1.191  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.923  -3.181  -1.525  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.637  -2.983   0.094  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.585  -0.796  -0.592  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.871  -0.994  -2.210  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.201  -3.060  -2.544  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.915  -2.862  -0.926  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.863  -0.676  -1.611  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.149  -0.873  -3.230  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.641  -3.027  -3.488  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.071  -1.081  -1.650  1.00  0.00           H  
HETATM  128  H   UNL     1     -12.827  -2.074  -3.341  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.824  -3.543  -3.389  1.00  0.00           H  
HETATM  130  H   UNL     1     -12.199  -3.878  -0.961  1.00  0.00           H  
HETATM  131  H   UNL     1     -13.202  -2.408  -0.913  1.00  0.00           H  
HETATM  132  H   UNL     1     -14.770  -3.425  -2.542  1.00  0.00           H  
HETATM  133  H   UNL     1     -13.767  -4.895  -2.590  1.00  0.00           H  
HETATM  134  H   UNL     1     -14.143  -5.230  -0.162  1.00  0.00           H  
HETATM  135  H   UNL     1     -15.145  -3.760  -0.114  1.00  0.00           H  
HETATM  136  H   UNL     1     -16.714  -4.777  -1.743  1.00  0.00           H  
HETATM  137  H   UNL     1     -15.711  -6.247  -1.791  1.00  0.00           H  
HETATM  138  H   UNL     1     -16.086  -6.581   0.637  1.00  0.00           H  
HETATM  139  H   UNL     1     -17.089  -5.111   0.685  1.00  0.00           H  
HETATM  140  C   UNL     1      22.176  -3.634  -1.263  1.00  0.00           C  
HETATM  141  C   UNL     1      22.740  -5.056  -1.268  1.00  0.00           C  
HETATM  142  C   UNL     1     -17.981  -6.763  -0.373  1.00  0.00           C  
HETATM  143  C   UNL     1     -18.706  -7.298   0.864  1.00  0.00           C  
HETATM  144  H   UNL     1      22.695  -3.035  -2.012  1.00  0.00           H  
HETATM  145  H   UNL     1      22.320  -3.190  -0.279  1.00  0.00           H  
HETATM  146  H   UNL     1      22.597  -5.501  -2.253  1.00  0.00           H  
HETATM  147  H   UNL     1      23.805  -5.026  -1.035  1.00  0.00           H  
HETATM  148  H   UNL     1      22.222  -5.656  -0.520  1.00  0.00           H  
HETATM  149  H   UNL     1     -18.657  -6.128  -0.945  1.00  0.00           H  
HETATM  150  H   UNL     1     -17.655  -7.598  -0.992  1.00  0.00           H  
HETATM  151  H   UNL     1     -19.033  -6.463   1.484  1.00  0.00           H  
HETATM  152  H   UNL     1     -19.574  -7.880   0.552  1.00  0.00           H  
HETATM  153  H   UNL     1     -18.030  -7.933   1.436  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    8    3                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    6    5                                       
CONECT    5    4   65   66                                            
CONECT    6    7    7    4   67                                       
CONECT    7    8    6    6   68                                       
CONECT    8    9    2    7                                            
CONECT    9   11    8   10   69                                       
CONECT   10   15    9                                                 
CONECT   11   12   13    9   70                                       
CONECT   12   11   71                                                 
CONECT   13   14   11   15   72                                       
CONECT   14   13   73                                                 
CONECT   15   13   16   10   74                                       
CONECT   16   15   17   75   76                                       
CONECT   17   16   18                                                 
CONECT   18   17   21   19   19                                       
CONECT   18   20                                                      
CONECT   19   18   18                                                 
CONECT   20   18   77                                                 
CONECT   21   22   18                                                 
CONECT   22   23   23   21   24                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   78                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   79   80                                       
CONECT   27   26   46   28   81                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   82   83                                       
CONECT   32   31   33   84   85                                       
CONECT   33   32   34   86   87                                       
CONECT   34   33   35   88   89                                       
CONECT   35   34   36   90   91                                       
CONECT   36   35   37   92   93                                       
CONECT   37   36   38   94   95                                       
CONECT   38   37   39   39   96                                       
CONECT   39   38   38   40   97                                       
CONECT   40   39   41   98   99                                       
CONECT   41   40   42  100  101                                       
CONECT   42   41   43  102  103                                       
CONECT   43   42   44  104  105                                       
CONECT   44   43   45  106  107                                       
CONECT   45   44  108  109  140                                       
CONECT   46   27   47  110  111                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   51  112  113                                       
CONECT   51   50   52  114  115                                       
CONECT   52   51   53  116  117                                       
CONECT   53   52   54  118  119                                       
CONECT   54   53   55  120  121                                       
CONECT   55   54   56  122  123                                       
CONECT   56   55   57  124  125                                       
CONECT   57   56   58   58  126                                       
CONECT   58   57   57   59  127                                       
CONECT   59   58   60  128  129                                       
CONECT   60   59   61  130  131                                       
CONECT   61   60   62  132  133                                       
CONECT   62   61   63  134  135                                       
CONECT   63   62   64  136  137                                       
CONECT   64   63  138  139  142                                       
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    9                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   20                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   45                                                      
CONECT  110   46                                                      
CONECT  111   46                                                      
CONECT  112   50                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   52                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   54                                                      
CONECT  121   54                                                      
CONECT  122   55                                                      
CONECT  123   55                                                      
CONECT  124   56                                                      
CONECT  125   56                                                      
CONECT  126   57                                                      
CONECT  127   58                                                      
CONECT  128   59                                                      
CONECT  129   59                                                      
CONECT  130   60                                                      
CONECT  131   60                                                      
CONECT  132   61                                                      
CONECT  133   61                                                      
CONECT  134   62                                                      
CONECT  135   62                                                      
CONECT  136   63                                                      
CONECT  137   63                                                      
CONECT  138   64                                                      
CONECT  139   64                                                      
CONECT  140   45  141  144  145                                       
CONECT  141  140  146  147  148                                       
CONECT  142   64  143  149  150                                       
CONECT  143  142  151  152  153                                       
CONECT  144  140                                                      
CONECT  145  140                                                      
CONECT  146  141                                                      
CONECT  147  141                                                      
CONECT  148  141                                                      
CONECT  149  142                                                      
CONECT  150  142                                                      
CONECT  151  143                                                      
CONECT  152  143                                                      
CONECT  153  143                                                      
MASTER        0    0    0    0    0    0    0    0  153    0  153    0
END
