COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.446   2.756   1.663  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.438   1.728   1.715  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.020   0.589   2.581  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.275   0.211   1.905  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.425   0.840   2.217  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.428   1.719   3.056  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.682   0.461   1.540  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.875   1.111   1.861  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.045   0.753   1.224  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.038  -0.248   0.270  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.860  -0.896  -0.053  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.681  -0.544   0.571  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.107  -0.631   2.658  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.707  -1.845   1.997  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.542  -1.783   0.543  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.894  -2.830  -0.218  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.443  -3.783   0.282  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.605  -2.818  -1.697  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.126  -2.235   2.413  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.623  -3.281   3.252  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.396  -3.240   2.522  1.00  0.00           C  
HETATM   22  C   UNL     1       0.829  -3.293   3.435  1.00  0.00           C  
HETATM   23  C   UNL     1       0.653  -2.220   4.503  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.584  -2.348   5.187  1.00  0.00           O  
HETATM   25  C   UNL     1       0.741  -0.827   3.870  1.00  0.00           C  
HETATM   26  C   UNL     1       0.251   0.043   5.016  1.00  0.00           C  
HETATM   27  C   UNL     1       2.208  -0.525   3.697  1.00  0.00           C  
HETATM   28  O   UNL     1       3.020  -1.439   3.787  1.00  0.00           O  
HETATM   29  C   UNL     1       2.695   0.884   3.424  1.00  0.00           C  
HETATM   30  O   UNL     1       2.672   1.717   4.599  1.00  0.00           O  
HETATM   31  C   UNL     1       3.729   1.740   5.427  1.00  0.00           C  
HETATM   32  O   UNL     1       4.700   1.063   5.185  1.00  0.00           O  
HETATM   33  C   UNL     1       3.704   2.611   6.656  1.00  0.00           C  
HETATM   34  C   UNL     1       1.889   1.358   2.250  1.00  0.00           C  
HETATM   35  C   UNL     1       2.141   0.830   1.055  1.00  0.00           C  
HETATM   36  C   UNL     1       1.263   1.206  -0.115  1.00  0.00           C  
HETATM   37  O   UNL     1       1.408   0.177  -1.145  1.00  0.00           O  
HETATM   38  C   UNL     1       2.370   0.289  -2.075  1.00  0.00           C  
HETATM   39  O   UNL     1       3.116   1.240  -2.061  1.00  0.00           O  
HETATM   40  C   UNL     1       2.519  -0.769  -3.136  1.00  0.00           C  
HETATM   41  O   UNL     1       3.604  -0.427  -4.001  1.00  0.00           O  
HETATM   42  C   UNL     1       1.227  -0.861  -3.951  1.00  0.00           C  
HETATM   43  N   UNL     1       0.957   0.431  -4.585  1.00  0.00           N  
HETATM   44  C   UNL     1      -0.313   0.811  -4.825  1.00  0.00           C  
HETATM   45  O   UNL     1      -1.234   0.082  -4.515  1.00  0.00           O  
HETATM   46  C   UNL     1      -0.586   2.115  -5.465  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.900   2.512  -5.715  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.148   3.731  -6.312  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.097   4.559  -6.664  1.00  0.00           C  
HETATM   50  C   UNL     1       0.208   4.171  -6.420  1.00  0.00           C  
HETATM   51  C   UNL     1       0.469   2.958  -5.818  1.00  0.00           C  
HETATM   52  C   UNL     1       1.377  -1.920  -5.012  1.00  0.00           C  
HETATM   53  C   UNL     1       0.523  -3.008  -5.029  1.00  0.00           C  
HETATM   54  C   UNL     1       0.661  -3.979  -6.002  1.00  0.00           C  
HETATM   55  C   UNL     1       1.651  -3.863  -6.960  1.00  0.00           C  
HETATM   56  C   UNL     1       2.504  -2.776  -6.944  1.00  0.00           C  
HETATM   57  C   UNL     1       2.364  -1.802  -5.973  1.00  0.00           C  
HETATM   58  C   UNL     1      -0.203   1.277   0.287  1.00  0.00           C  
HETATM   59  C   UNL     1       3.301  -0.122   0.837  1.00  0.00           C  
HETATM   60  C   UNL     1       0.801   2.375   2.311  1.00  0.00           C  
HETATM   61  C   UNL     1       1.190   3.610   1.477  1.00  0.00           C  
HETATM   62  C   UNL     1       0.473   2.895   3.706  1.00  0.00           C  
HETATM   63  H   UNL     1      -2.231   2.357   1.262  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.335   0.980   3.543  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.882   1.893   2.607  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.969   1.255   1.472  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.957  -0.524  -0.225  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.861  -1.677  -0.798  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.762  -1.051   0.318  1.00  0.00           H  
HETATM   70  H   UNL     1       0.663  -0.382   1.891  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.960  -3.746  -2.144  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.114  -1.973  -2.160  1.00  0.00           H  
HETATM   73  H   UNL     1       0.469  -2.726  -1.856  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.737  -2.608   1.585  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.663  -1.487   3.003  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.346  -3.990   1.730  1.00  0.00           H  
HETATM   77  H   UNL     1       1.728  -3.105   2.851  1.00  0.00           H  
HETATM   78  H   UNL     1       0.893  -4.278   3.900  1.00  0.00           H  
HETATM   79  H   UNL     1       1.471  -2.297   5.227  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.601  -3.235   5.570  1.00  0.00           H  
HETATM   81  H   UNL     1       0.676   1.043   4.920  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.836   0.106   4.985  1.00  0.00           H  
HETATM   83  H   UNL     1       0.563  -0.393   5.964  1.00  0.00           H  
HETATM   84  H   UNL     1       3.767   0.825   3.121  1.00  0.00           H  
HETATM   85  H   UNL     1       4.642   2.499   7.200  1.00  0.00           H  
HETATM   86  H   UNL     1       3.577   3.653   6.361  1.00  0.00           H  
HETATM   87  H   UNL     1       2.874   2.311   7.297  1.00  0.00           H  
HETATM   88  H   UNL     1       1.590   2.147  -0.554  1.00  0.00           H  
HETATM   89  H   UNL     1       2.720  -1.731  -2.664  1.00  0.00           H  
HETATM   90  H   UNL     1       3.387   0.427  -4.398  1.00  0.00           H  
HETATM   91  H   UNL     1       0.400  -1.122  -3.291  1.00  0.00           H  
HETATM   92  H   UNL     1       1.692   1.013  -4.833  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.722   1.867  -5.441  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.165   4.039  -6.506  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.296   5.511  -7.132  1.00  0.00           H  
HETATM   96  H   UNL     1       1.024   4.822  -6.697  1.00  0.00           H  
HETATM   97  H   UNL     1       1.489   2.656  -5.627  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.249  -3.098  -4.280  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.005  -4.829  -6.015  1.00  0.00           H  
HETATM  100  H   UNL     1       1.758  -4.623  -7.720  1.00  0.00           H  
HETATM  101  H   UNL     1       3.278  -2.685  -7.692  1.00  0.00           H  
HETATM  102  H   UNL     1       3.030  -0.952  -5.960  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.675   0.312   0.123  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.704   1.993  -0.380  1.00  0.00           H  
HETATM  105  H   UNL     1       3.335  -0.419  -0.210  1.00  0.00           H  
HETATM  106  H   UNL     1       4.234   0.374   1.104  1.00  0.00           H  
HETATM  107  H   UNL     1       3.169  -1.005   1.461  1.00  0.00           H  
HETATM  108  H   UNL     1       1.204   3.344   0.420  1.00  0.00           H  
HETATM  109  H   UNL     1       0.462   4.404   1.643  1.00  0.00           H  
HETATM  110  H   UNL     1       2.179   3.955   1.779  1.00  0.00           H  
HETATM  111  H   UNL     1       1.398   3.119   4.237  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.127   3.801   3.624  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.085   2.136   4.254  1.00  0.00           H  
CONECT    1    2   63                                                 
CONECT    2    1    3   58   60                                       
CONECT    3    2    4   13   64                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    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    7   11   11   69                                       
CONECT   13    3   14   25   70                                       
CONECT   14   13   15   19   21                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   71   72   73                                       
CONECT   19   14   20   74   75                                       
CONECT   20   19   21                                                 
CONECT   21   14   20   22   76                                       
CONECT   22   21   23   77   78                                       
CONECT   23   22   24   25   79                                       
CONECT   24   23   80                                                 
CONECT   25   13   23   26   27                                       
CONECT   26   25   81   82   83                                       
CONECT   27   25   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   34   84                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   85   86   87                                       
CONECT   34   29   35   35   60                                       
CONECT   35   34   34   36   59                                       
CONECT   36   35   37   58   88                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   42   89                                       
CONECT   41   40   90                                                 
CONECT   42   40   43   52   91                                       
CONECT   43   42   44   92                                            
CONECT   44   43   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   47   51                                       
CONECT   47   46   46   48   93                                       
CONECT   48   47   49   49   94                                       
CONECT   49   48   48   50   95                                       
CONECT   50   49   51   51   96                                       
CONECT   51   46   50   50   97                                       
CONECT   52   42   53   53   57                                       
CONECT   53   52   52   54   98                                       
CONECT   54   53   55   55   99                                       
CONECT   55   54   54   56  100                                       
CONECT   56   55   57   57  101                                       
CONECT   57   52   56   56  102                                       
CONECT   58    2   36  103  104                                       
CONECT   59   35  105  106  107                                       
CONECT   60    2   34   61   62                                       
CONECT   61   60  108  109  110                                       
CONECT   62   60  111  112  113                                       
CONECT   63    1                                                      
CONECT   64    3                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   29                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   36                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   55                                                      
CONECT  101   56                                                      
CONECT  102   57                                                      
CONECT  103   58                                                      
CONECT  104   58                                                      
CONECT  105   59                                                      
CONECT  106   59                                                      
CONECT  107   59                                                      
CONECT  108   61                                                      
CONECT  109   61                                                      
CONECT  110   61                                                      
CONECT  111   62                                                      
CONECT  112   62                                                      
CONECT  113   62                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
