COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.537  -0.645   0.428  1.00  0.00           C  
HETATM    2  O   UNL     1       5.658   0.160   1.327  1.00  0.00           O  
HETATM    3  C   UNL     1       6.753  -1.338  -0.131  1.00  0.00           C  
HETATM    4  C   UNL     1       8.002  -0.850   0.607  1.00  0.00           C  
HETATM    5  C   UNL     1       9.236  -1.554   0.040  1.00  0.00           C  
HETATM    6  C   UNL     1      10.485  -1.067   0.777  1.00  0.00           C  
HETATM    7  C   UNL     1      11.720  -1.771   0.209  1.00  0.00           C  
HETATM    8  C   UNL     1      12.969  -1.283   0.947  1.00  0.00           C  
HETATM    9  C   UNL     1      14.203  -1.988   0.379  1.00  0.00           C  
HETATM   10  C   UNL     1      15.452  -1.500   1.117  1.00  0.00           C  
HETATM   11  C   UNL     1      16.686  -2.204   0.549  1.00  0.00           C  
HETATM   12  N   UNL     1       4.315  -0.923  -0.068  1.00  0.00           N  
HETATM   13  C   UNL     1       3.133  -0.253   0.479  1.00  0.00           C  
HETATM   14  C   UNL     1       1.916  -1.111   0.245  1.00  0.00           C  
HETATM   15  O   UNL     1       2.026  -2.177  -0.323  1.00  0.00           O  
HETATM   16  C   UNL     1       2.945   1.098  -0.214  1.00  0.00           C  
HETATM   17  C   UNL     1       4.123   2.013   0.126  1.00  0.00           C  
HETATM   18  C   UNL     1       3.935   3.364  -0.567  1.00  0.00           C  
HETATM   19  N   UNL     1       5.063   4.241  -0.241  1.00  0.00           N  
HETATM   20  C   UNL     1       5.113   5.509  -0.751  1.00  0.00           C  
HETATM   21  N   UNL     1       4.136   5.947  -1.545  1.00  0.00           N  
HETATM   22  N   UNL     1       6.138   6.306  -0.455  1.00  0.00           N1+
HETATM   23  N   UNL     1       0.706  -0.694   0.667  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.476  -1.528   0.440  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.707  -0.659   0.415  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.677   0.449   0.907  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.600  -2.556   1.567  1.00  0.00           C  
HETATM   28  C   UNL     1       0.599  -3.504   1.526  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.634  -1.832   2.914  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.841  -1.112  -0.155  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.008  -0.233  -0.265  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.260  -1.068  -0.340  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.186  -2.278  -0.304  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.887   0.619  -1.530  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.685   1.557  -1.400  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.564   2.409  -2.664  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.362   3.347  -2.535  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.246   4.165  -3.749  1.00  0.00           N1+
HETATM   39  N   UNL     1      -6.464  -0.470  -0.445  1.00  0.00           N  
HETATM   40  C   UNL     1      -7.681  -1.282  -0.518  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.927  -1.704  -1.968  1.00  0.00           C  
HETATM   42  O   UNL     1      -9.115  -2.495  -2.038  1.00  0.00           O  
HETATM   43  C   UNL     1      -8.871  -0.461  -0.016  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.684  -0.145   1.469  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.874   0.675   1.970  1.00  0.00           C  
HETATM   46  N   UNL     1      -9.694   0.978   3.392  1.00  0.00           N  
HETATM   47  C   UNL     1     -10.639   1.706   4.062  1.00  0.00           C  
HETATM   48  N   UNL     1     -11.722   2.140   3.420  1.00  0.00           N1+
HETATM   49  N   UNL     1     -10.475   1.981   5.354  1.00  0.00           N  
HETATM   50  C   UNL     1      -6.737  -2.524  -2.469  1.00  0.00           C  
HETATM   51 CL   UNL     1      -6.958  -2.896  -4.219  1.00  0.00          Cl  
HETATM   52  H   UNL     1       6.650  -2.415   0.002  1.00  0.00           H  
HETATM   53  H   UNL     1       6.846  -1.110  -1.192  1.00  0.00           H  
HETATM   54  H   UNL     1       8.105   0.227   0.474  1.00  0.00           H  
HETATM   55  H   UNL     1       7.910  -1.079   1.668  1.00  0.00           H  
HETATM   56  H   UNL     1       9.134  -2.632   0.172  1.00  0.00           H  
HETATM   57  H   UNL     1       9.329  -1.326  -1.022  1.00  0.00           H  
HETATM   58  H   UNL     1      10.588   0.010   0.644  1.00  0.00           H  
HETATM   59  H   UNL     1      10.393  -1.295   1.838  1.00  0.00           H  
HETATM   60  H   UNL     1      11.617  -2.848   0.342  1.00  0.00           H  
HETATM   61  H   UNL     1      11.812  -1.543  -0.852  1.00  0.00           H  
HETATM   62  H   UNL     1      13.072  -0.206   0.814  1.00  0.00           H  
HETATM   63  H   UNL     1      12.876  -1.512   2.008  1.00  0.00           H  
HETATM   64  H   UNL     1      14.100  -3.065   0.512  1.00  0.00           H  
HETATM   65  H   UNL     1      14.296  -1.760  -0.683  1.00  0.00           H  
HETATM   66  H   UNL     1      15.555  -0.423   0.984  1.00  0.00           H  
HETATM   67  H   UNL     1      15.359  -1.728   2.178  1.00  0.00           H  
HETATM   68  H   UNL     1      16.779  -1.976  -0.513  1.00  0.00           H  
HETATM   69  H   UNL     1      17.576  -1.857   1.074  1.00  0.00           H  
HETATM   70  H   UNL     1      16.583  -3.281   0.682  1.00  0.00           H  
HETATM   71  H   UNL     1       4.219  -1.567  -0.787  1.00  0.00           H  
HETATM   72  H   UNL     1       3.267  -0.097   1.550  1.00  0.00           H  
HETATM   73  H   UNL     1       2.901   0.949  -1.293  1.00  0.00           H  
HETATM   74  H   UNL     1       2.018   1.556   0.129  1.00  0.00           H  
HETATM   75  H   UNL     1       4.168   2.162   1.205  1.00  0.00           H  
HETATM   76  H   UNL     1       5.050   1.555  -0.216  1.00  0.00           H  
HETATM   77  H   UNL     1       3.890   3.216  -1.646  1.00  0.00           H  
HETATM   78  H   UNL     1       3.008   3.823  -0.224  1.00  0.00           H  
HETATM   79  H   UNL     1       5.774   3.923   0.337  1.00  0.00           H  
HETATM   80  H   UNL     1       3.390   5.366  -1.760  1.00  0.00           H  
HETATM   81  H   UNL     1       4.172   6.846  -1.907  1.00  0.00           H  
HETATM   82  H   UNL     1       6.173   7.206  -0.817  1.00  0.00           H  
HETATM   83  H   UNL     1       6.849   5.988   0.123  1.00  0.00           H  
HETATM   84  H   UNL     1       0.618   0.158   1.122  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.378  -2.046  -0.515  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.520  -3.127   1.438  1.00  0.00           H  
HETATM   87  H   UNL     1       1.508  -2.950   1.760  1.00  0.00           H  
HETATM   88  H   UNL     1       0.459  -4.298   2.260  1.00  0.00           H  
HETATM   89  H   UNL     1       0.684  -3.940   0.531  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.488  -1.157   2.943  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.722  -2.564   3.717  1.00  0.00           H  
HETATM   92  H   UNL     1       0.286  -1.261   3.043  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.885  -2.021  -0.492  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.056   0.417   0.609  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.750  -0.031  -2.394  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.795   1.208  -1.659  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.823   2.206  -0.535  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.777   0.967  -1.271  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.427   1.759  -3.529  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.472   2.998  -2.794  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.500   3.996  -1.670  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.454   2.757  -2.406  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.086   4.710  -3.869  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.453   4.783  -3.664  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.119   3.564  -4.549  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.523   0.498  -0.473  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.564  -2.169   0.104  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.045  -0.816  -2.589  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.911  -2.038  -1.735  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.935   0.469  -0.581  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.790  -1.033  -0.153  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.620  -1.076   2.033  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.765   0.426   1.605  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.937   1.605   1.406  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.792   0.104   1.834  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.905   0.661   3.859  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.842   1.940   2.479  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.686   1.665   5.821  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.145   2.498   5.829  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.392   2.657   3.895  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.819  -1.953  -2.332  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.673  -3.454  -1.905  1.00  0.00           H  
CONECT    1    2    2    3   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   52   53                                       
CONECT    4    3    5   54   55                                       
CONECT    5    4    6   56   57                                       
CONECT    6    5    7   58   59                                       
CONECT    7    6    8   60   61                                       
CONECT    8    7    9   62   63                                       
CONECT    9    8   10   64   65                                       
CONECT   10    9   11   66   67                                       
CONECT   11   10   68   69   70                                       
CONECT   12   13   71    1                                            
CONECT   13   12   14   16   72                                       
CONECT   14   13   15   15   23                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   73   74                                       
CONECT   17   16   18   75   76                                       
CONECT   18   17   19   77   78                                       
CONECT   19   18   20   79                                            
CONECT   20   19   21   22   22                                       
CONECT   21   20   80   81                                            
CONECT   22   20   20   82   83                                       
CONECT   23   24   84   14                                            
CONECT   24   23   25   27   85                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   29   86                                       
CONECT   28   27   87   88   89                                       
CONECT   29   27   90   91   92                                       
CONECT   30   31   93   25                                            
CONECT   31   30   32   34   94                                       
CONECT   32   31   33   33   39                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   95   96                                       
CONECT   35   34   36   97   98                                       
CONECT   36   35   37   99  100                                       
CONECT   37   36   38  101  102                                       
CONECT   38   37  103  104  105                                       
CONECT   39   40  106   32                                            
CONECT   40   39   41   43  107                                       
CONECT   41   40   42  108   50                                       
CONECT   42   41  109                                                 
CONECT   43   40   44  110  111                                       
CONECT   44   43   45  112  113                                       
CONECT   45   44   46  114  115                                       
CONECT   46   45   47  116                                            
CONECT   47   46   48   48   49                                       
CONECT   48   47   47  117  120                                       
CONECT   49   47  118  119                                            
CONECT   50   51  121  122   41                                       
CONECT   51   50                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   24                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   44                                                      
CONECT  114   45                                                      
CONECT  115   45                                                      
CONECT  116   46                                                      
CONECT  117   48                                                      
CONECT  118   49                                                      
CONECT  119   49                                                      
CONECT  120   48                                                      
CONECT  121   50                                                      
CONECT  122   50                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
