COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -14.178  -0.858   5.907  1.00  0.00           C  
HETATM    2  C   UNL     1     -14.784  -0.615   4.549  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.916   0.088   4.307  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.138   0.082   2.927  1.00  0.00           C  
HETATM    5  C   UNL     1     -15.110  -0.641   2.357  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.928  -0.911   0.929  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.754  -1.864  -0.920  1.00  0.00           C  
HETATM    8  N   UNL     1     -14.283  -1.057   3.377  1.00  0.00           N  
HETATM    9  O   UNL     1     -13.871  -1.636   0.509  1.00  0.00           O  
HETATM   10  O   UNL     1     -10.926  -2.035  -1.214  1.00  0.00           O  
HETATM   11  O   UNL     1     -12.987  -3.453  -2.575  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.066   0.284   1.387  1.00  0.00           O  
HETATM   13  O   UNL     1     -15.730  -0.481   0.122  1.00  0.00           O  
HETATM   14  C   UNL     1     -12.935  -0.735  -1.554  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.518  -0.757  -0.975  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.623  -3.124  -0.606  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.044  -3.198  -1.170  1.00  0.00           C  
HETATM   18  C   UNL     1     -14.110  -4.179  -3.080  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.686  -2.908   0.908  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.887  -4.432  -0.904  1.00  0.00           C  
HETATM   21  O   UNL     1     -10.731   0.258  -1.602  1.00  0.00           O  
HETATM   22  C   UNL     1      -9.472   0.443  -1.128  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.663   1.415  -1.692  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.378   1.610  -1.205  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.916   0.813  -0.143  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.746  -0.164   0.414  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.008  -0.342  -0.076  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.554   1.027   0.366  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.787   2.009  -0.231  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.328   2.763  -1.291  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.575   2.553  -1.742  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.646   3.628  -1.812  1.00  0.00           O  
HETATM   33  N   UNL     1      -3.478   2.255   0.217  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.438   2.100  -0.626  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.637   1.828  -1.795  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.059   2.259  -0.131  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.681   2.565   1.163  1.00  0.00           C  
HETATM   38  N   UNL     1       0.660   2.621   1.211  1.00  0.00           N  
HETATM   39  C   UNL     1       1.170   2.355  -0.041  1.00  0.00           C  
HETATM   40  C   UNL     1       0.127   2.123  -0.888  1.00  0.00           C  
HETATM   41  C   UNL     1       0.220   1.791  -2.355  1.00  0.00           C  
HETATM   42  C   UNL     1       2.593   2.323  -0.401  1.00  0.00           C  
HETATM   43  O   UNL     1       2.926   2.076  -1.546  1.00  0.00           O  
HETATM   44  N   UNL     1       3.531   2.567   0.536  1.00  0.00           N  
HETATM   45  C   UNL     1       4.893   2.437   0.217  1.00  0.00           C  
HETATM   46  C   UNL     1       5.458   3.216  -0.811  1.00  0.00           C  
HETATM   47  O   UNL     1       6.755   3.116  -1.140  1.00  0.00           O  
HETATM   48  C   UNL     1       7.589   2.264  -0.505  1.00  0.00           C  
HETATM   49  C   UNL     1       7.105   1.450   0.533  1.00  0.00           C  
HETATM   50  C   UNL     1       5.689   1.548   0.913  1.00  0.00           C  
HETATM   51  O   UNL     1       5.178   0.783   1.907  1.00  0.00           O  
HETATM   52  C   UNL     1       7.966   0.567   1.191  1.00  0.00           C  
HETATM   53  C   UNL     1       9.279   0.497   0.822  1.00  0.00           C  
HETATM   54  C   UNL     1       9.765   1.301  -0.206  1.00  0.00           C  
HETATM   55  C   UNL     1       8.925   2.182  -0.868  1.00  0.00           C  
HETATM   56  C   UNL     1       9.462   3.048  -1.978  1.00  0.00           C  
HETATM   57  O   UNL     1      11.073   1.222  -0.561  1.00  0.00           O  
HETATM   58  O   UNL     1       4.751   4.002  -1.417  1.00  0.00           O  
HETATM   59  C   UNL     1      -9.175   2.259  -2.830  1.00  0.00           C  
HETATM   60  O   UNL     1     -13.550   0.522  -1.265  1.00  0.00           O  
HETATM   61  C   UNL     1      11.887   0.295   0.160  1.00  0.00           C  
HETATM   62  C   UNL     1      13.286   0.255  -0.458  1.00  0.00           C  
HETATM   63  C   UNL     1      14.169  -0.695   0.357  1.00  0.00           C  
HETATM   64  C   UNL     1      14.191  -0.228   1.816  1.00  0.00           C  
HETATM   65  C   UNL     1      12.756  -0.170   2.347  1.00  0.00           C  
HETATM   66  O   UNL     1      11.981   0.706   1.526  1.00  0.00           O  
HETATM   67  C   UNL     1      12.144  -1.571   2.317  1.00  0.00           C  
HETATM   68  C   UNL     1      12.764   0.353   3.784  1.00  0.00           C  
HETATM   69  O   UNL     1      14.782   1.071   1.893  1.00  0.00           O  
HETATM   70  O   UNL     1      13.200  -0.211  -1.806  1.00  0.00           O  
HETATM   71  O   UNL     1      13.631  -2.041   0.284  1.00  0.00           O  
HETATM   72  C   UNL     1      16.198   1.054   2.081  1.00  0.00           C  
HETATM   73  C   UNL     1      14.073  -2.824  -0.721  1.00  0.00           C  
HETATM   74  C   UNL     1      13.573  -4.194  -0.857  1.00  0.00           C  
HETATM   75  O   UNL     1      14.887  -2.392  -1.515  1.00  0.00           O  
HETATM   76  C   UNL     1      13.940  -5.104  -1.828  1.00  0.00           C  
HETATM   77  N   UNL     1      12.657  -4.812  -0.036  1.00  0.00           N  
HETATM   78  C   UNL     1      12.452  -6.069  -0.484  1.00  0.00           C  
HETATM   79  C   UNL     1      13.227  -6.280  -1.575  1.00  0.00           C  
HETATM   80  C   UNL     1      11.520  -7.078   0.136  1.00  0.00           C  
HETATM   81  H   UNL     1     -14.586  -1.778   6.327  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.096  -0.951   5.811  1.00  0.00           H  
HETATM   83  H   UNL     1     -14.414  -0.022   6.565  1.00  0.00           H  
HETATM   84  H   UNL     1     -16.538   0.568   5.049  1.00  0.00           H  
HETATM   85  H   UNL     1     -16.958   0.554   2.405  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.747  -1.890  -1.369  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.477  -1.586   3.270  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.160   0.510   1.640  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.890  -0.880  -2.634  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.561  -0.572   0.098  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.592  -4.000  -0.676  1.00  0.00           H  
HETATM   92  H   UNL     1     -13.991  -4.332  -4.153  1.00  0.00           H  
HETATM   93  H   UNL     1     -14.172  -5.146  -2.580  1.00  0.00           H  
HETATM   94  H   UNL     1     -15.022  -3.614  -2.892  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.047  -1.901   1.116  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.364  -3.636   1.351  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.690  -3.031   1.334  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.875  -4.378  -0.503  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.418  -5.262  -0.440  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.843  -4.586  -1.982  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.390  -0.776   1.230  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.651  -1.094   0.357  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.350   2.730   1.995  1.00  0.00           H  
HETATM  104  H   UNL     1       1.187   2.819   2.001  1.00  0.00           H  
HETATM  105  H   UNL     1       0.280   0.710  -2.480  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.665   2.168  -2.869  1.00  0.00           H  
HETATM  107  H   UNL     1       1.111   2.256  -2.777  1.00  0.00           H  
HETATM  108  H   UNL     1       3.265   2.832   1.430  1.00  0.00           H  
HETATM  109  H   UNL     1       4.236   0.930   2.072  1.00  0.00           H  
HETATM  110  H   UNL     1       7.594  -0.058   1.989  1.00  0.00           H  
HETATM  111  H   UNL     1       9.944  -0.185   1.330  1.00  0.00           H  
HETATM  112  H   UNL     1       9.361   2.524  -2.928  1.00  0.00           H  
HETATM  113  H   UNL     1       8.899   3.980  -2.016  1.00  0.00           H  
HETATM  114  H   UNL     1      10.514   3.265  -1.793  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.658   3.152  -2.432  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.342   2.552  -3.469  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.896   1.685  -3.412  1.00  0.00           H  
HETATM  118  H   UNL     1     -13.083   1.283  -1.637  1.00  0.00           H  
HETATM  119  H   UNL     1      11.439  -0.698   0.110  1.00  0.00           H  
HETATM  120  H   UNL     1      13.719   1.255  -0.445  1.00  0.00           H  
HETATM  121  H   UNL     1      15.183  -0.685  -0.044  1.00  0.00           H  
HETATM  122  H   UNL     1      14.772  -0.930   2.415  1.00  0.00           H  
HETATM  123  H   UNL     1      12.826  -2.277   2.791  1.00  0.00           H  
HETATM  124  H   UNL     1      11.196  -1.566   2.855  1.00  0.00           H  
HETATM  125  H   UNL     1      11.972  -1.871   1.283  1.00  0.00           H  
HETATM  126  H   UNL     1      13.200   1.352   3.806  1.00  0.00           H  
HETATM  127  H   UNL     1      11.743   0.394   4.162  1.00  0.00           H  
HETATM  128  H   UNL     1      13.356  -0.315   4.411  1.00  0.00           H  
HETATM  129  H   UNL     1      12.651   0.343  -2.379  1.00  0.00           H  
HETATM  130  H   UNL     1      16.436   0.537   3.011  1.00  0.00           H  
HETATM  131  H   UNL     1      16.670   0.536   1.247  1.00  0.00           H  
HETATM  132  H   UNL     1      16.570   2.078   2.130  1.00  0.00           H  
HETATM  133  H   UNL     1      14.644  -4.940  -2.630  1.00  0.00           H  
HETATM  134  H   UNL     1      12.229  -4.411   0.736  1.00  0.00           H  
HETATM  135  H   UNL     1      13.280  -7.192  -2.150  1.00  0.00           H  
HETATM  136  H   UNL     1      10.531  -6.983  -0.312  1.00  0.00           H  
HETATM  137  H   UNL     1      11.904  -8.083  -0.039  1.00  0.00           H  
HETATM  138  H   UNL     1      11.451  -6.897   1.209  1.00  0.00           H  
HETATM  139  H   UNL     1      -3.323   2.537   1.132  1.00  0.00           H  
CONECT    1    2   81   82   83                                       
CONECT    2    8    1    3    3                                       
CONECT    3    2    2    4   84                                       
CONECT    4    5    5    3   85                                       
CONECT    5    6    8    4    4                                       
CONECT    6   13   13    9    5                                       
CONECT    7   14   17    9   86                                       
CONECT    8    5    2   87                                            
CONECT    9    7    6                                                 
CONECT   10   15   16                                                 
CONECT   11   17   18                                                 
CONECT   12   28   88                                                 
CONECT   13    6    6                                                 
CONECT   14   15    7   60   89                                       
CONECT   15   21   10   14   90                                       
CONECT   16   20   10   17   19                                       
CONECT   17   16    7   11   91                                       
CONECT   18   11   92   93   94                                       
CONECT   19   16   95   96   97                                       
CONECT   20   16   98   99  100                                       
CONECT   21   22   15                                                 
CONECT   22   23   23   27   21                                       
CONECT   23   24   59   22   22                                       
CONECT   24   31   25   25   23                                       
CONECT   25   28   24   24   26                                       
CONECT   26   25   27   27  101                                       
CONECT   27   26   26   22  102                                       
CONECT   28   29   29   12   25                                       
CONECT   29   33   30   28   28                                       
CONECT   30   32   32   29   31                                       
CONECT   31   30   24                                                 
CONECT   32   30   30                                                 
CONECT   33   34   29  139                                            
CONECT   34   36   33   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   40   37   37   34                                       
CONECT   37   38   36   36  103                                       
CONECT   38   39   37  104                                            
CONECT   39   42   38   40   40                                       
CONECT   40   39   39   41   36                                       
CONECT   41   40  105  106  107                                       
CONECT   42   44   43   43   39                                       
CONECT   43   42   42                                                 
CONECT   44   45   42  108                                            
CONECT   45   50   50   46   44                                       
CONECT   46   47   45   58   58                                       
CONECT   47   48   46                                                 
CONECT   48   55   55   49   47                                       
CONECT   49   52   52   48   50                                       
CONECT   50   49   51   45   45                                       
CONECT   51   50  109                                                 
CONECT   52   53   49   49  110                                       
CONECT   53   54   54   52  111                                       
CONECT   54   57   53   53   55                                       
CONECT   55   54   56   48   48                                       
CONECT   56   55  112  113  114                                       
CONECT   57   61   54                                                 
CONECT   58   46   46                                                 
CONECT   59   23  115  116  117                                       
CONECT   60   14  118                                                 
CONECT   61   62   66   57  119                                       
CONECT   62   70   63   61  120                                       
CONECT   63   71   64   62  121                                       
CONECT   64   69   63   65  122                                       
CONECT   65   64   67   66   68                                       
CONECT   66   65   61                                                 
CONECT   67   65  123  124  125                                       
CONECT   68   65  126  127  128                                       
CONECT   69   72   64                                                 
CONECT   70   62  129                                                 
CONECT   71   73   63                                                 
CONECT   72   69  130  131  132                                       
CONECT   73   74   71   75   75                                       
CONECT   74   76   76   77   73                                       
CONECT   75   73   73                                                 
CONECT   76   79   74   74  133                                       
CONECT   77   78   74  134                                            
CONECT   78   79   79   80   77                                       
CONECT   79   76   78   78  135                                       
CONECT   80   78  136  137  138                                       
CONECT   81    1                                                      
CONECT   82    1                                                      
CONECT   83    1                                                      
CONECT   84    3                                                      
CONECT   85    4                                                      
CONECT   86    7                                                      
CONECT   87    8                                                      
CONECT   88   12                                                      
CONECT   89   14                                                      
CONECT   90   15                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   18                                                      
CONECT   94   18                                                      
CONECT   95   19                                                      
CONECT   96   19                                                      
CONECT   97   19                                                      
CONECT   98   20                                                      
CONECT   99   20                                                      
CONECT  100   20                                                      
CONECT  101   26                                                      
CONECT  102   27                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   41                                                      
CONECT  108   44                                                      
CONECT  109   51                                                      
CONECT  110   52                                                      
CONECT  111   53                                                      
CONECT  112   56                                                      
CONECT  113   56                                                      
CONECT  114   56                                                      
CONECT  115   59                                                      
CONECT  116   59                                                      
CONECT  117   59                                                      
CONECT  118   60                                                      
CONECT  119   61                                                      
CONECT  120   62                                                      
CONECT  121   63                                                      
CONECT  122   64                                                      
CONECT  123   67                                                      
CONECT  124   67                                                      
CONECT  125   67                                                      
CONECT  126   68                                                      
CONECT  127   68                                                      
CONECT  128   68                                                      
CONECT  129   70                                                      
CONECT  130   72                                                      
CONECT  131   72                                                      
CONECT  132   72                                                      
CONECT  133   76                                                      
CONECT  134   77                                                      
CONECT  135   79                                                      
CONECT  136   80                                                      
CONECT  137   80                                                      
CONECT  138   80                                                      
CONECT  139   33                                                      
MASTER        0    0    0    0    0    0    0    0  139    0  139    0
END
