COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.072   0.721  -1.961  1.00  0.00           C  
HETATM    2  N   UNL     1     -10.827  -0.140   2.263  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.161   0.134   0.135  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.933   0.423  -1.020  1.00  0.00           C  
HETATM    5  N   UNL     1     -13.168  -0.144   2.699  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.380   0.592  -1.223  1.00  0.00           C  
HETATM    7  N   UNL     1     -11.644  -0.641   4.376  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.032  -0.626  -1.179  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.924   1.691  -0.584  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.232  -0.744  -0.502  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.779   0.356   0.132  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.124   1.573   0.093  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.086   0.228   0.869  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.875  -0.314   3.135  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.662   0.477  -1.464  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.554   0.187  -0.549  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.306   0.875  -1.039  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.338   1.541  -2.051  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.317  -1.324  -0.498  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.539  -2.011   0.115  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.302  -3.522   0.167  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.472  -4.180   0.754  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.489  -5.540   0.902  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.442  -6.265   0.513  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.553  -6.138   1.436  1.00  0.00           N1+
HETATM   26  N   UNL     1      -0.154   0.749  -0.351  1.00  0.00           N  
HETATM   27  C   UNL     1       1.060   1.418  -0.826  1.00  0.00           C  
HETATM   28  C   UNL     1       2.272   0.683  -0.313  1.00  0.00           C  
HETATM   29  O   UNL     1       2.135  -0.301   0.381  1.00  0.00           O  
HETATM   30  C   UNL     1       1.082   2.859  -0.314  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.079   3.639  -0.934  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.057   5.080  -0.421  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.168   5.827  -1.015  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.351   7.146  -0.702  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.519   7.751   0.144  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.362   7.825  -1.241  1.00  0.00           N1+
HETATM   37  N   UNL     1       3.508   1.121  -0.626  1.00  0.00           N  
HETATM   38  C   UNL     1       4.686   0.407  -0.128  1.00  0.00           C  
HETATM   39  C   UNL     1       5.857   1.354  -0.064  1.00  0.00           C  
HETATM   40  O   UNL     1       5.721   2.510  -0.402  1.00  0.00           O  
HETATM   41  C   UNL     1       5.017  -0.751  -1.070  1.00  0.00           C  
HETATM   42  C   UNL     1       3.880  -1.775  -1.039  1.00  0.00           C  
HETATM   43  C   UNL     1       4.212  -2.934  -1.982  1.00  0.00           C  
HETATM   44  N   UNL     1       3.123  -3.914  -1.952  1.00  0.00           N  
HETATM   45  C   UNL     1       3.198  -5.043  -2.721  1.00  0.00           C  
HETATM   46  N   UNL     1       4.261  -5.251  -3.497  1.00  0.00           N  
HETATM   47  N   UNL     1       2.208  -5.934  -2.694  1.00  0.00           N1+
HETATM   48  N   UNL     1       7.056   0.914   0.368  1.00  0.00           N  
HETATM   49  C   UNL     1       8.194   1.834   0.430  1.00  0.00           C  
HETATM   50  C   UNL     1       9.406   1.100   0.943  1.00  0.00           C  
HETATM   51  C   UNL     1       9.659   1.053   2.302  1.00  0.00           C  
HETATM   52  C   UNL     1      10.767   0.382   2.778  1.00  0.00           C  
HETATM   53  C   UNL     1      11.633  -0.249   1.886  1.00  0.00           C  
HETATM   54  C   UNL     1      12.823  -0.971   2.390  1.00  0.00           C  
HETATM   55  N   UNL     1      13.064  -1.017   3.669  1.00  0.00           N  
HETATM   56  N   UNL     1      13.677  -1.594   1.505  1.00  0.00           N  
HETATM   57  C   UNL     1      11.372  -0.198   0.516  1.00  0.00           C  
HETATM   58  C   UNL     1      10.258   0.471   0.053  1.00  0.00           C  
HETATM   59  H   UNL     1      -5.970   1.736  -2.345  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.053   0.015  -2.791  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.915  -0.260   2.571  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.340   0.100   1.776  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.908  -0.267   3.314  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.384  -0.765   4.991  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.605  -1.485  -1.675  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.412   2.641  -0.614  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.742  -1.695  -0.469  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.549   2.431   0.592  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.695  -0.543   0.398  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.617   1.180   0.837  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.480   0.707  -2.388  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.802   0.550   0.448  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.157  -1.701  -1.508  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.438  -1.533   0.112  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.699  -1.634   1.125  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.418  -1.802  -0.495  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.142  -3.899  -0.844  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.423  -3.731   0.776  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.234  -3.651   1.037  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.668  -5.830   0.124  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.454  -7.229   0.618  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.315  -5.609   1.719  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.565  -7.102   1.541  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.128   0.216   0.459  1.00  0.00           H  
HETATM   85  H   UNL     1       1.071   1.419  -1.916  1.00  0.00           H  
HETATM   86  H   UNL     1       0.982   2.860   0.772  1.00  0.00           H  
HETATM   87  H   UNL     1       2.026   3.329  -0.592  1.00  0.00           H  
HETATM   88  H   UNL     1       0.021   3.638  -2.019  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.022   3.169  -0.655  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.157   5.082   0.664  1.00  0.00           H  
HETATM   91  H   UNL     1       0.887   5.550  -0.700  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.775   5.386  -1.630  1.00  0.00           H  
HETATM   93  H   UNL     1       0.218   7.257   0.537  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.648   8.686   0.366  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.969   7.384  -1.857  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.492   8.760  -1.019  1.00  0.00           H  
HETATM   97  H   UNL     1       3.617   1.909  -1.182  1.00  0.00           H  
HETATM   98  H   UNL     1       4.479   0.017   0.869  1.00  0.00           H  
HETATM   99  H   UNL     1       5.136  -0.371  -2.085  1.00  0.00           H  
HETATM  100  H   UNL     1       5.944  -1.227  -0.749  1.00  0.00           H  
HETATM  101  H   UNL     1       3.761  -2.155  -0.025  1.00  0.00           H  
HETATM  102  H   UNL     1       2.954  -1.299  -1.360  1.00  0.00           H  
HETATM  103  H   UNL     1       4.331  -2.554  -2.997  1.00  0.00           H  
HETATM  104  H   UNL     1       5.138  -3.410  -1.661  1.00  0.00           H  
HETATM  105  H   UNL     1       2.349  -3.762  -1.387  1.00  0.00           H  
HETATM  106  H   UNL     1       4.981  -4.602  -3.516  1.00  0.00           H  
HETATM  107  H   UNL     1       4.314  -6.051  -4.042  1.00  0.00           H  
HETATM  108  H   UNL     1       1.435  -5.782  -2.129  1.00  0.00           H  
HETATM  109  H   UNL     1       2.262  -6.734  -3.239  1.00  0.00           H  
HETATM  110  H   UNL     1       7.164  -0.011   0.639  1.00  0.00           H  
HETATM  111  H   UNL     1       8.400   2.225  -0.567  1.00  0.00           H  
HETATM  112  H   UNL     1       7.958   2.660   1.102  1.00  0.00           H  
HETATM  113  H   UNL     1       8.988   1.543   2.993  1.00  0.00           H  
HETATM  114  H   UNL     1      10.963   0.347   3.839  1.00  0.00           H  
HETATM  115  H   UNL     1      13.843  -1.490   3.999  1.00  0.00           H  
HETATM  116  H   UNL     1      13.498  -1.559   0.553  1.00  0.00           H  
HETATM  117  H   UNL     1      14.457  -2.067   1.836  1.00  0.00           H  
HETATM  118  H   UNL     1      12.040  -0.685  -0.180  1.00  0.00           H  
HETATM  119  H   UNL     1      10.053   0.507  -1.007  1.00  0.00           H  
CONECT    1    6    4   59   60                                       
CONECT    2   13   14   61                                            
CONECT    3    4    4                                                 
CONECT    4    1    3    3   15                                       
CONECT    5   14   62   63                                            
CONECT    6    1    8    8    9                                       
CONECT    7   14   14   64                                            
CONECT    8    6    6   10   65                                       
CONECT    9    6   12   12   66                                       
CONECT   10    8   11   11   67                                       
CONECT   11   10   10   12   13                                       
CONECT   12    9    9   11   68                                       
CONECT   13    2   11   69   70                                       
CONECT   14    2    5    7    7                                       
CONECT   15   16   71    4                                            
CONECT   16   15   17   19   72                                       
CONECT   17   16   18   18   26                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   73   74                                       
CONECT   20   19   21   75   76                                       
CONECT   21   20   22   77   78                                       
CONECT   22   21   23   79                                            
CONECT   23   22   24   25   25                                       
CONECT   24   23   80   81                                            
CONECT   25   23   23   82   83                                       
CONECT   26   27   84   17                                            
CONECT   27   26   28   30   85                                       
CONECT   28   27   29   29   37                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   86   87                                       
CONECT   31   30   32   88   89                                       
CONECT   32   31   33   90   91                                       
CONECT   33   32   34   92                                            
CONECT   34   33   35   36   36                                       
CONECT   35   34   93   94                                            
CONECT   36   34   34   95   96                                       
CONECT   37   38   97   28                                            
CONECT   38   37   39   41   98                                       
CONECT   39   38   40   40   48                                       
CONECT   40   39   39                                                 
CONECT   41   38   42   99  100                                       
CONECT   42   41   43  101  102                                       
CONECT   43   42   44  103  104                                       
CONECT   44   43   45  105                                            
CONECT   45   44   46   47   47                                       
CONECT   46   45  106  107                                            
CONECT   47   45   45  108  109                                       
CONECT   48   49  110   39                                            
CONECT   49   48   50  111  112                                       
CONECT   50   49   58   58   51                                       
CONECT   51   50   52   52  113                                       
CONECT   52   51   51   53  114                                       
CONECT   53   52   57   57   54                                       
CONECT   54   53   55   55   56                                       
CONECT   55   54   54  115                                            
CONECT   56   54  116  117                                            
CONECT   57   53   53   58  118                                       
CONECT   58   50   50   57  119                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   43                                                      
CONECT  104   43                                                      
CONECT  105   44                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   49                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   55                                                      
CONECT  116   56                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   58                                                      
MASTER        0    0    0    0    0    0    0    0  119    0  119    0
END
