COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.726   4.324  -0.244  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.292  -1.808   0.474  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.028  -2.554   0.135  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.603  -4.525   0.177  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.363  -3.812   0.657  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.953   4.001  -1.722  1.00  0.00           C  
HETATM    7  C   UNL     1       1.928  -3.930   1.460  1.00  0.00           C  
HETATM    8  C   UNL     1       2.515  -2.989   0.440  1.00  0.00           C  
HETATM    9  C   UNL     1       4.382  -1.915  -0.689  1.00  0.00           C  
HETATM   10  C   UNL     1       3.867  -0.505  -0.534  1.00  0.00           C  
HETATM   11  C   UNL     1       4.251   1.886  -0.740  1.00  0.00           C  
HETATM   12  C   UNL     1       3.032   2.188  -1.572  1.00  0.00           C  
HETATM   13  C   UNL     1       1.641   3.661  -2.918  1.00  0.00           C  
HETATM   14  C   UNL     1       0.369   3.417  -2.145  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.520   2.613  -1.872  1.00  0.00           C  
HETATM   16  C   UNL     1       1.696   2.777  -4.160  1.00  0.00           C  
HETATM   17  C   UNL     1       2.889   3.187  -5.026  1.00  0.00           C  
HETATM   18  C   UNL     1       3.017   2.222  -6.206  1.00  0.00           C  
HETATM   19  C   UNL     1       2.674   4.608  -5.550  1.00  0.00           C  
HETATM   20  C   UNL     1       3.707   4.576  -1.732  1.00  0.00           C  
HETATM   21  C   UNL     1       3.974   2.182   0.735  1.00  0.00           C  
HETATM   22  C   UNL     1       5.239   1.993   1.532  1.00  0.00           C  
HETATM   23  C   UNL     1       6.101   3.058   1.719  1.00  0.00           C  
HETATM   24  C   UNL     1       7.261   2.889   2.448  1.00  0.00           C  
HETATM   25  C   UNL     1       7.562   1.647   2.995  1.00  0.00           C  
HETATM   26  C   UNL     1       6.693   0.580   2.805  1.00  0.00           C  
HETATM   27  C   UNL     1       5.532   0.757   2.079  1.00  0.00           C  
HETATM   28  C   UNL     1       8.852   0.089   4.215  1.00  0.00           C  
HETATM   29  C   UNL     1      10.118  -0.043   5.067  1.00  0.00           C  
HETATM   30  C   UNL     1      11.170   1.702   3.808  1.00  0.00           C  
HETATM   31  C   UNL     1       9.915   1.852   2.943  1.00  0.00           C  
HETATM   32  C   UNL     1       4.021  -2.472  -2.062  1.00  0.00           C  
HETATM   33  C   UNL     1       4.618  -3.872  -2.217  1.00  0.00           C  
HETATM   34  C   UNL     1       4.135  -4.490  -3.531  1.00  0.00           C  
HETATM   35  C   UNL     1       6.145  -3.777  -2.230  1.00  0.00           C  
HETATM   36  C   UNL     1       4.790  -3.362   1.373  1.00  0.00           C  
HETATM   37  C   UNL     1       1.641  -3.185   2.764  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.582  -4.680  -1.340  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.786  -5.513  -1.784  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.835  -5.565  -3.313  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.656  -6.933  -1.230  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.366   1.038  -2.047  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.737  -4.455   1.574  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.114  -1.029   1.778  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.424  -0.390   2.164  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.316  -1.077   2.967  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.517  -0.495   3.323  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.827   0.782   2.874  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.929   1.469   2.068  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.727   0.883   1.720  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.193   1.422   4.693  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.559   2.020   5.040  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.530   3.305   3.019  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.163   2.718   2.650  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.947   0.517  -3.418  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.606  -0.840  -3.672  1.00  0.00           C  
HETATM   57  C   UNL     1      -6.122  -0.660  -3.773  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.074  -1.430  -4.979  1.00  0.00           C  
HETATM   59  C   UNL     1      -4.821   3.495  -1.533  1.00  0.00           C  
HETATM   60  C   UNL     1      -3.884   0.115  -0.956  1.00  0.00           C  
HETATM   61  N   UNL     1      -2.813  -3.806   0.629  1.00  0.00           N  
HETATM   62  N   UNL     1       3.859  -2.772   0.396  1.00  0.00           N  
HETATM   63  N   UNL     1       2.818   3.445  -2.050  1.00  0.00           N  
HETATM   64  N   UNL     1       8.735   1.473   3.733  1.00  0.00           N  
HETATM   65  N   UNL     1      -3.866   2.410  -1.815  1.00  0.00           N  
HETATM   66  N   UNL     1      -9.041   1.373   3.231  1.00  0.00           N  
HETATM   67  O   UNL     1      -2.819   0.319  -0.428  1.00  0.00           O  
HETATM   68  O   UNL     1      -4.657  -0.915  -0.601  1.00  0.00           O  
HETATM   69  O   UNL     1      -2.207  -2.013  -0.584  1.00  0.00           O  
HETATM   70  O   UNL     1      -0.369  -2.610   0.766  1.00  0.00           O  
HETATM   71  O   UNL     1       0.720  -4.537   0.951  1.00  0.00           O  
HETATM   72  O   UNL     1       1.763  -2.430  -0.338  1.00  0.00           O  
HETATM   73  O   UNL     1       2.766  -0.317  -0.079  1.00  0.00           O  
HETATM   74  O   UNL     1       4.652   0.509  -0.910  1.00  0.00           O  
HETATM   75  O   UNL     1       2.246   1.286  -1.803  1.00  0.00           O  
HETATM   76  O   UNL     1       0.354   2.592  -1.264  1.00  0.00           O  
HETATM   77  O   UNL     1      -0.718   4.126  -2.460  1.00  0.00           O  
HETATM   78  O   UNL     1      -1.751   1.684  -2.040  1.00  0.00           O  
HETATM   79  O   UNL     1      11.251   0.359   4.293  1.00  0.00           O  
HETATM   80  O   UNL     1     -10.672   3.315   4.442  1.00  0.00           O  
HETATM   81  H   UNL     1      -1.025   3.606   0.181  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.318   5.330  -0.151  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.674   4.265   0.290  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.115  -2.523   0.605  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.613  -5.529   0.628  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.660   4.731  -2.134  1.00  0.00           H  
HETATM   87  H   UNL     1       2.642  -4.736   1.668  1.00  0.00           H  
HETATM   88  H   UNL     1       5.479  -1.886  -0.604  1.00  0.00           H  
HETATM   89  H   UNL     1       5.085   2.517  -1.071  1.00  0.00           H  
HETATM   90  H   UNL     1       1.644   4.714  -3.241  1.00  0.00           H  
HETATM   91  H   UNL     1       1.806   1.735  -3.859  1.00  0.00           H  
HETATM   92  H   UNL     1       0.775   2.895  -4.731  1.00  0.00           H  
HETATM   93  H   UNL     1       3.800   3.154  -4.428  1.00  0.00           H  
HETATM   94  H   UNL     1       2.106   2.255  -6.803  1.00  0.00           H  
HETATM   95  H   UNL     1       3.867   2.514  -6.823  1.00  0.00           H  
HETATM   96  H   UNL     1       3.170   1.209  -5.832  1.00  0.00           H  
HETATM   97  H   UNL     1       3.524   4.900  -6.167  1.00  0.00           H  
HETATM   98  H   UNL     1       1.763   4.641  -6.147  1.00  0.00           H  
HETATM   99  H   UNL     1       2.582   5.295  -4.709  1.00  0.00           H  
HETATM  100  H   UNL     1       3.356   5.071  -0.826  1.00  0.00           H  
HETATM  101  H   UNL     1       4.721   4.208  -1.575  1.00  0.00           H  
HETATM  102  H   UNL     1       3.702   5.286  -2.559  1.00  0.00           H  
HETATM  103  H   UNL     1       3.628   3.210   0.840  1.00  0.00           H  
HETATM  104  H   UNL     1       3.207   1.500   1.104  1.00  0.00           H  
HETATM  105  H   UNL     1       5.867   4.023   1.294  1.00  0.00           H  
HETATM  106  H   UNL     1       7.935   3.721   2.594  1.00  0.00           H  
HETATM  107  H   UNL     1       6.924  -0.387   3.228  1.00  0.00           H  
HETATM  108  H   UNL     1       4.856  -0.072   1.931  1.00  0.00           H  
HETATM  109  H   UNL     1       8.915  -0.589   3.364  1.00  0.00           H  
HETATM  110  H   UNL     1       7.980  -0.162   4.817  1.00  0.00           H  
HETATM  111  H   UNL     1      10.033   0.595   5.946  1.00  0.00           H  
HETATM  112  H   UNL     1      10.240  -1.080   5.379  1.00  0.00           H  
HETATM  113  H   UNL     1      12.053   1.927   3.210  1.00  0.00           H  
HETATM  114  H   UNL     1      11.116   2.391   4.650  1.00  0.00           H  
HETATM  115  H   UNL     1       9.819   2.888   2.618  1.00  0.00           H  
HETATM  116  H   UNL     1       9.994   1.202   2.072  1.00  0.00           H  
HETATM  117  H   UNL     1       2.937  -2.527  -2.159  1.00  0.00           H  
HETATM  118  H   UNL     1       4.422  -1.819  -2.837  1.00  0.00           H  
HETATM  119  H   UNL     1       4.300  -4.497  -1.383  1.00  0.00           H  
HETATM  120  H   UNL     1       4.489  -5.519  -3.600  1.00  0.00           H  
HETATM  121  H   UNL     1       3.045  -4.479  -3.559  1.00  0.00           H  
HETATM  122  H   UNL     1       4.526  -3.914  -4.369  1.00  0.00           H  
HETATM  123  H   UNL     1       6.489  -3.337  -1.294  1.00  0.00           H  
HETATM  124  H   UNL     1       6.571  -4.774  -2.340  1.00  0.00           H  
HETATM  125  H   UNL     1       6.463  -3.152  -3.064  1.00  0.00           H  
HETATM  126  H   UNL     1       4.232  -3.965   2.089  1.00  0.00           H  
HETATM  127  H   UNL     1       5.512  -3.991   0.852  1.00  0.00           H  
HETATM  128  H   UNL     1       5.316  -2.566   1.900  1.00  0.00           H  
HETATM  129  H   UNL     1       0.932  -2.379   2.574  1.00  0.00           H  
HETATM  130  H   UNL     1       1.217  -3.877   3.492  1.00  0.00           H  
HETATM  131  H   UNL     1       2.568  -2.768   3.157  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.629  -3.696  -1.807  1.00  0.00           H  
HETATM  133  H   UNL     1      -0.662  -5.182  -1.642  1.00  0.00           H  
HETATM  134  H   UNL     1      -3.701  -5.058  -1.407  1.00  0.00           H  
HETATM  135  H   UNL     1      -1.919  -6.020  -3.690  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.693  -6.159  -3.629  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.928  -4.553  -3.708  1.00  0.00           H  
HETATM  138  H   UNL     1      -1.740  -7.388  -1.608  1.00  0.00           H  
HETATM  139  H   UNL     1      -2.621  -6.897  -0.141  1.00  0.00           H  
HETATM  140  H   UNL     1      -3.513  -7.527  -1.546  1.00  0.00           H  
HETATM  141  H   UNL     1      -5.466   1.064  -2.007  1.00  0.00           H  
HETATM  142  H   UNL     1      -3.436  -4.221   2.595  1.00  0.00           H  
HETATM  143  H   UNL     1      -4.749  -4.091   1.401  1.00  0.00           H  
HETATM  144  H   UNL     1      -3.709  -5.535   1.425  1.00  0.00           H  
HETATM  145  H   UNL     1      -3.795  -1.709   2.567  1.00  0.00           H  
HETATM  146  H   UNL     1      -3.360  -0.255   1.638  1.00  0.00           H  
HETATM  147  H   UNL     1      -6.074  -2.071   3.315  1.00  0.00           H  
HETATM  148  H   UNL     1      -8.213  -1.033   3.949  1.00  0.00           H  
HETATM  149  H   UNL     1      -7.166   2.464   1.721  1.00  0.00           H  
HETATM  150  H   UNL     1      -5.028   1.418   1.094  1.00  0.00           H  
HETATM  151  H   UNL     1      -8.405   2.041   5.121  1.00  0.00           H  
HETATM  152  H   UNL     1      -9.124   0.413   5.100  1.00  0.00           H  
HETATM  153  H   UNL     1     -11.348   1.373   4.658  1.00  0.00           H  
HETATM  154  H   UNL     1     -10.653   2.110   6.122  1.00  0.00           H  
HETATM  155  H   UNL     1     -10.604   4.324   2.638  1.00  0.00           H  
HETATM  156  H   UNL     1     -11.319   2.695   2.578  1.00  0.00           H  
HETATM  157  H   UNL     1      -9.074   2.656   1.566  1.00  0.00           H  
HETATM  158  H   UNL     1      -8.374   3.359   3.045  1.00  0.00           H  
HETATM  159  H   UNL     1      -4.262   1.223  -4.187  1.00  0.00           H  
HETATM  160  H   UNL     1      -2.863   0.406  -3.449  1.00  0.00           H  
HETATM  161  H   UNL     1      -4.375  -1.516  -2.848  1.00  0.00           H  
HETATM  162  H   UNL     1      -6.492  -0.175  -2.870  1.00  0.00           H  
HETATM  163  H   UNL     1      -6.357  -0.042  -4.640  1.00  0.00           H  
HETATM  164  H   UNL     1      -6.597  -1.635  -3.883  1.00  0.00           H  
HETATM  165  H   UNL     1      -2.994  -1.558  -4.907  1.00  0.00           H  
HETATM  166  H   UNL     1      -4.543  -2.397  -5.160  1.00  0.00           H  
HETATM  167  H   UNL     1      -4.305  -0.754  -5.803  1.00  0.00           H  
HETATM  168  H   UNL     1      -4.983   3.566  -0.458  1.00  0.00           H  
HETATM  169  H   UNL     1      -4.418   4.438  -1.903  1.00  0.00           H  
HETATM  170  H   UNL     1      -5.768   3.285  -2.030  1.00  0.00           H  
CONECT    1    6   81   82   83                                       
CONECT    2   68   44    3   84                                       
CONECT    3   61    2   69   69                                       
CONECT    4   61    5   38   85                                       
CONECT    5    4   71   70   70                                       
CONECT    6   77   15    1   86                                       
CONECT    7   37    8   71   87                                       
CONECT    8    7   62   72   72                                       
CONECT    9   10   62   32   88                                       
CONECT   10   73   73   74    9                                       
CONECT   11   74   12   21   89                                       
CONECT   12   63   11   75   75                                       
CONECT   13   14   63   16   90                                       
CONECT   14   76   76   13   77                                       
CONECT   15   65    6   78   78                                       
CONECT   16   13   17   91   92                                       
CONECT   17   19   16   18   93                                       
CONECT   18   17   94   95   96                                       
CONECT   19   17   97   98   99                                       
CONECT   20   63  100  101  102                                       
CONECT   21   22   11  103  104                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22  105                                       
CONECT   24   25   23   23  106                                       
CONECT   25   64   26   26   24                                       
CONECT   26   25   25   27  107                                       
CONECT   27   26   22   22  108                                       
CONECT   28   29   64  109  110                                       
CONECT   29   79   28  111  112                                       
CONECT   30   79   31  113  114                                       
CONECT   31   30   64  115  116                                       
CONECT   32    9   33  117  118                                       
CONECT   33   35   32   34  119                                       
CONECT   34   33  120  121  122                                       
CONECT   35   33  123  124  125                                       
CONECT   36   62  126  127  128                                       
CONECT   37    7  129  130  131                                       
CONECT   38    4   39  132  133                                       
CONECT   39   41   38   40  134                                       
CONECT   40   39  135  136  137                                       
CONECT   41   39  138  139  140                                       
CONECT   42   65   60   55  141                                       
CONECT   43   61  142  143  144                                       
CONECT   44   45    2  145  146                                       
CONECT   45   50   44   46   46                                       
CONECT   46   45   45   47  147                                       
CONECT   47   48   48   46  148                                       
CONECT   48   49   66   47   47                                       
CONECT   49   50   50   48  149                                       
CONECT   50   49   49   45  150                                       
CONECT   51   52   66  151  152                                       
CONECT   52   80   51  153  154                                       
CONECT   53   80   54  155  156                                       
CONECT   54   53   66  157  158                                       
CONECT   55   42   56  159  160                                       
CONECT   56   58   55   57  161                                       
CONECT   57   56  162  163  164                                       
CONECT   58   56  165  166  167                                       
CONECT   59   65  168  169  170                                       
CONECT   60   42   68   67   67                                       
CONECT   61   43    4    3                                            
CONECT   62   36    8    9                                            
CONECT   63   20   13   12                                            
CONECT   64   28   31   25                                            
CONECT   65   59   42   15                                            
CONECT   66   54   48   51                                            
CONECT   67   60   60                                                 
CONECT   68   60    2                                                 
CONECT   69    3    3                                                 
CONECT   70    5    5                                                 
CONECT   71    7    5                                                 
CONECT   72    8    8                                                 
CONECT   73   10   10                                                 
CONECT   74   10   11                                                 
CONECT   75   12   12                                                 
CONECT   76   14   14                                                 
CONECT   77   14    6                                                 
CONECT   78   15   15                                                 
CONECT   79   29   30                                                 
CONECT   80   53   52                                                 
CONECT   81    1                                                      
CONECT   82    1                                                      
CONECT   83    1                                                      
CONECT   84    2                                                      
CONECT   85    4                                                      
CONECT   86    6                                                      
CONECT   87    7                                                      
CONECT   88    9                                                      
CONECT   89   11                                                      
CONECT   90   13                                                      
CONECT   91   16                                                      
CONECT   92   16                                                      
CONECT   93   17                                                      
CONECT   94   18                                                      
CONECT   95   18                                                      
CONECT   96   18                                                      
CONECT   97   19                                                      
CONECT   98   19                                                      
CONECT   99   19                                                      
CONECT  100   20                                                      
CONECT  101   20                                                      
CONECT  102   20                                                      
CONECT  103   21                                                      
CONECT  104   21                                                      
CONECT  105   23                                                      
CONECT  106   24                                                      
CONECT  107   26                                                      
CONECT  108   27                                                      
CONECT  109   28                                                      
CONECT  110   28                                                      
CONECT  111   29                                                      
CONECT  112   29                                                      
CONECT  113   30                                                      
CONECT  114   30                                                      
CONECT  115   31                                                      
CONECT  116   31                                                      
CONECT  117   32                                                      
CONECT  118   32                                                      
CONECT  119   33                                                      
CONECT  120   34                                                      
CONECT  121   34                                                      
CONECT  122   34                                                      
CONECT  123   35                                                      
CONECT  124   35                                                      
CONECT  125   35                                                      
CONECT  126   36                                                      
CONECT  127   36                                                      
CONECT  128   36                                                      
CONECT  129   37                                                      
CONECT  130   37                                                      
CONECT  131   37                                                      
CONECT  132   38                                                      
CONECT  133   38                                                      
CONECT  134   39                                                      
CONECT  135   40                                                      
CONECT  136   40                                                      
CONECT  137   40                                                      
CONECT  138   41                                                      
CONECT  139   41                                                      
CONECT  140   41                                                      
CONECT  141   42                                                      
CONECT  142   43                                                      
CONECT  143   43                                                      
CONECT  144   43                                                      
CONECT  145   44                                                      
CONECT  146   44                                                      
CONECT  147   46                                                      
CONECT  148   47                                                      
CONECT  149   49                                                      
CONECT  150   50                                                      
CONECT  151   51                                                      
CONECT  152   51                                                      
CONECT  153   52                                                      
CONECT  154   52                                                      
CONECT  155   53                                                      
CONECT  156   53                                                      
CONECT  157   54                                                      
CONECT  158   54                                                      
CONECT  159   55                                                      
CONECT  160   55                                                      
CONECT  161   56                                                      
CONECT  162   57                                                      
CONECT  163   57                                                      
CONECT  164   57                                                      
CONECT  165   58                                                      
CONECT  166   58                                                      
CONECT  167   58                                                      
CONECT  168   59                                                      
CONECT  169   59                                                      
CONECT  170   59                                                      
MASTER        0    0    0    0    0    0    0    0  170    0  170    0
END
