COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.806   0.069  -0.040  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.959   0.471  -0.922  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.332   0.357  -0.985  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.280   1.006  -2.186  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.444   1.305  -2.889  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.668   0.960  -2.402  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.764   0.291  -1.169  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.011  -0.079  -0.637  1.00  0.00           C  
HETATM    9  C   UNL     1     -13.066  -0.726   0.560  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.904  -1.027   1.267  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.679  -0.683   0.781  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.583  -0.016  -0.450  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.015  -0.507   1.007  1.00  0.00           O  
HETATM   14  O   UNL     1      -8.188   0.068  -0.314  1.00  0.00           O  
HETATM   15  N   UNL     1      -4.541   0.344  -0.417  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.420  -0.047   0.441  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.241   0.850   0.166  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.328   1.730  -0.664  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.036  -1.499   0.148  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.172  -2.408   0.538  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.131  -2.867  -0.280  1.00  0.00           N1+
HETATM   22  C   UNL     1      -4.400  -2.906   1.768  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.947  -3.627   0.398  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.527  -3.678   1.680  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.089   0.675   0.844  1.00  0.00           N  
HETATM   26  C   UNL     1       0.090   1.476   0.503  1.00  0.00           C  
HETATM   27  C   UNL     1       0.073   2.776   1.311  1.00  0.00           C  
HETATM   28  C   UNL     1       1.222   3.676   0.852  1.00  0.00           C  
HETATM   29  C   UNL     1       1.306   4.901   1.764  1.00  0.00           C  
HETATM   30  C   UNL     1       0.972   4.128  -0.588  1.00  0.00           C  
HETATM   31  C   UNL     1       2.455   5.801   1.305  1.00  0.00           C  
HETATM   32  C   UNL     1       2.121   5.028  -1.047  1.00  0.00           C  
HETATM   33  C   UNL     1       2.205   6.253  -0.135  1.00  0.00           C  
HETATM   34  C   UNL     1       1.357   0.686   0.836  1.00  0.00           C  
HETATM   35  O   UNL     1       1.375   0.380   2.232  1.00  0.00           O  
HETATM   36  C   UNL     1       1.374  -0.614   0.029  1.00  0.00           C  
HETATM   37  C   UNL     1       2.614  -1.430   0.401  1.00  0.00           C  
HETATM   38  C   UNL     1       2.604  -2.752  -0.369  1.00  0.00           C  
HETATM   39  C   UNL     1       1.444  -3.619   0.121  1.00  0.00           C  
HETATM   40  C   UNL     1       2.435  -2.470  -1.864  1.00  0.00           C  
HETATM   41  O   UNL     1       0.199  -1.372   0.323  1.00  0.00           O  
HETATM   42  C   UNL     1       3.853  -0.650   0.045  1.00  0.00           C  
HETATM   43  O   UNL     1       3.763   0.366  -0.610  1.00  0.00           O  
HETATM   44  N   UNL     1       5.062  -1.082   0.456  1.00  0.00           N  
HETATM   45  C   UNL     1       6.275  -0.384   0.023  1.00  0.00           C  
HETATM   46  C   UNL     1       7.386  -1.383  -0.171  1.00  0.00           C  
HETATM   47  O   UNL     1       7.184  -2.562   0.027  1.00  0.00           O  
HETATM   48  C   UNL     1       6.686   0.635   1.088  1.00  0.00           C  
HETATM   49  C   UNL     1       6.778  -0.059   2.449  1.00  0.00           C  
HETATM   50  C   UNL     1       5.642   1.752   1.155  1.00  0.00           C  
HETATM   51  C   UNL     1       7.947  -1.046   2.440  1.00  0.00           C  
HETATM   52  N   UNL     1       8.606  -0.966  -0.566  1.00  0.00           N  
HETATM   53  C   UNL     1       9.715  -1.920  -0.649  1.00  0.00           C  
HETATM   54  C   UNL     1      10.959  -1.205  -1.111  1.00  0.00           C  
HETATM   55  C   UNL     1      11.864  -0.737  -0.177  1.00  0.00           C  
HETATM   56  C   UNL     1      13.005  -0.081  -0.612  1.00  0.00           C  
HETATM   57  C   UNL     1      13.194   0.080  -1.977  1.00  0.00           C  
HETATM   58  C   UNL     1      12.245  -0.415  -2.851  1.00  0.00           C  
HETATM   59  N   UNL     1      11.174  -1.039  -2.401  1.00  0.00           N  
HETATM   60  H   UNL     1      -6.957   1.554  -1.053  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.859  -0.012  -1.894  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.323   1.292  -2.596  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.376   1.819  -3.837  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.561   1.200  -2.960  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.920   0.148  -1.173  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.025  -1.009   0.968  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.975  -1.541   2.214  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.787  -0.922   1.340  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.374   0.801  -1.256  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.712   0.047   1.487  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.829  -1.612  -0.917  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.147  -1.762   0.720  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.206  -2.666  -1.226  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.808  -2.731   2.654  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.813  -4.134  -0.002  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.945  -4.172   2.403  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.040   0.019   1.556  1.00  0.00           H  
HETATM   78  H   UNL     1       0.076   1.709  -0.561  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.875   3.289   1.153  1.00  0.00           H  
HETATM   80  H   UNL     1       0.191   2.547   2.370  1.00  0.00           H  
HETATM   81  H   UNL     1       2.160   3.122   0.901  1.00  0.00           H  
HETATM   82  H   UNL     1       0.369   5.455   1.715  1.00  0.00           H  
HETATM   83  H   UNL     1       1.484   4.579   2.790  1.00  0.00           H  
HETATM   84  H   UNL     1       0.913   3.255  -1.238  1.00  0.00           H  
HETATM   85  H   UNL     1       0.035   4.682  -0.637  1.00  0.00           H  
HETATM   86  H   UNL     1       2.515   6.674   1.955  1.00  0.00           H  
HETATM   87  H   UNL     1       3.392   5.247   1.354  1.00  0.00           H  
HETATM   88  H   UNL     1       3.059   4.474  -0.998  1.00  0.00           H  
HETATM   89  H   UNL     1       1.943   5.350  -2.073  1.00  0.00           H  
HETATM   90  H   UNL     1       1.268   6.807  -0.184  1.00  0.00           H  
HETATM   91  H   UNL     1       3.024   6.895  -0.462  1.00  0.00           H  
HETATM   92  H   UNL     1       2.234   1.282   0.583  1.00  0.00           H  
HETATM   93  H   UNL     1       0.664  -0.212   2.514  1.00  0.00           H  
HETATM   94  H   UNL     1       1.398  -0.381  -1.036  1.00  0.00           H  
HETATM   95  H   UNL     1       2.607  -1.633   1.472  1.00  0.00           H  
HETATM   96  H   UNL     1       3.546  -3.276  -0.203  1.00  0.00           H  
HETATM   97  H   UNL     1       0.504  -3.219  -0.261  1.00  0.00           H  
HETATM   98  H   UNL     1       1.576  -4.640  -0.238  1.00  0.00           H  
HETATM   99  H   UNL     1       1.423  -3.617   1.211  1.00  0.00           H  
HETATM  100  H   UNL     1       3.297  -1.911  -2.228  1.00  0.00           H  
HETATM  101  H   UNL     1       2.359  -3.413  -2.405  1.00  0.00           H  
HETATM  102  H   UNL     1       1.529  -1.885  -2.023  1.00  0.00           H  
HETATM  103  H   UNL     1       0.111  -1.616   1.255  1.00  0.00           H  
HETATM  104  H   UNL     1       5.128  -1.854   1.039  1.00  0.00           H  
HETATM  105  H   UNL     1       6.081   0.132  -0.917  1.00  0.00           H  
HETATM  106  H   UNL     1       7.656   1.059   0.830  1.00  0.00           H  
HETATM  107  H   UNL     1       6.938   0.687   3.227  1.00  0.00           H  
HETATM  108  H   UNL     1       5.850  -0.596   2.646  1.00  0.00           H  
HETATM  109  H   UNL     1       4.697   1.344   1.514  1.00  0.00           H  
HETATM  110  H   UNL     1       5.985   2.529   1.837  1.00  0.00           H  
HETATM  111  H   UNL     1       5.501   2.177   0.161  1.00  0.00           H  
HETATM  112  H   UNL     1       7.671  -1.930   1.864  1.00  0.00           H  
HETATM  113  H   UNL     1       8.818  -0.574   1.986  1.00  0.00           H  
HETATM  114  H   UNL     1       8.184  -1.338   3.463  1.00  0.00           H  
HETATM  115  H   UNL     1       8.750  -0.034  -0.794  1.00  0.00           H  
HETATM  116  H   UNL     1       9.891  -2.359   0.333  1.00  0.00           H  
HETATM  117  H   UNL     1       9.464  -2.707  -1.360  1.00  0.00           H  
HETATM  118  H   UNL     1      11.684  -0.879   0.878  1.00  0.00           H  
HETATM  119  H   UNL     1      13.729   0.296   0.094  1.00  0.00           H  
HETATM  120  H   UNL     1      14.071   0.586  -2.351  1.00  0.00           H  
HETATM  121  H   UNL     1      12.385  -0.294  -3.915  1.00  0.00           H  
CONECT    1    2   13   13   15                                       
CONECT    2    1   14   60   61                                       
CONECT    3    4    4   12   14                                       
CONECT    4    3    3    5   62                                       
CONECT    5    4    6    6   63                                       
CONECT    6    5    5    7   64                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   65                                       
CONECT    9    8   10   10   66                                       
CONECT   10    9    9   11   67                                       
CONECT   11   10   12   12   68                                       
CONECT   12    3    7   11   11                                       
CONECT   13    1    1                                                 
CONECT   14    2    3                                                 
CONECT   15   16   69    1                                            
CONECT   16   15   17   19   70                                       
CONECT   17   16   18   18   25                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   71   72                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   23   23   73                                       
CONECT   22   20   20   24   74                                       
CONECT   23   21   21   24   75                                       
CONECT   24   22   23   76                                            
CONECT   25   26   77   17                                            
CONECT   26   25   27   34   78                                       
CONECT   27   26   28   79   80                                       
CONECT   28   27   29   30   81                                       
CONECT   29   28   31   82   83                                       
CONECT   30   28   32   84   85                                       
CONECT   31   29   33   86   87                                       
CONECT   32   30   33   88   89                                       
CONECT   33   31   32   90   91                                       
CONECT   34   26   35   36   92                                       
CONECT   35   34   93                                                 
CONECT   36   34   37   41   94                                       
CONECT   37   36   38   42   95                                       
CONECT   38   37   39   40   96                                       
CONECT   39   38   97   98   99                                       
CONECT   40   38  100  101  102                                       
CONECT   41   36  103                                                 
CONECT   42   37   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   45  104   42                                            
CONECT   45   44   46   48  105                                       
CONECT   46   45   47   47   52                                       
CONECT   47   46   46                                                 
CONECT   48   45   49   50  106                                       
CONECT   49   48   51  107  108                                       
CONECT   50   48  109  110  111                                       
CONECT   51   49  112  113  114                                       
CONECT   52   53  115   46                                            
CONECT   53   52   54  116  117                                       
CONECT   54   53   55   59   59                                       
CONECT   55   54   56   56  118                                       
CONECT   56   55   55   57  119                                       
CONECT   57   56   58   58  120                                       
CONECT   58   57   57   59  121                                       
CONECT   59   54   54   58                                            
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
CONECT  113   51                                                      
CONECT  114   51                                                      
CONECT  115   52                                                      
CONECT  116   53                                                      
CONECT  117   53                                                      
CONECT  118   55                                                      
CONECT  119   56                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
