COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.208  -0.847  -1.781  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.382  -1.689  -1.498  1.00  0.00           O  
HETATM    3  C   UNL     1     -10.387  -1.209  -2.648  1.00  0.00           C  
HETATM    4  N   UNL     1      -9.075   0.410  -1.315  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.933   0.760  -0.467  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.652   0.515  -1.222  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.647  -0.228  -2.182  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.953  -0.102   0.797  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.174   0.233   1.615  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.123   1.230   2.571  1.00  0.00           C  
HETATM   11  N   UNL     1     -10.187   1.529   3.290  1.00  0.00           N  
HETATM   12  C   UNL     1     -11.333   0.896   3.129  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.459  -0.111   2.191  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.363  -0.450   1.413  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.513   1.120  -0.832  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.249   0.802  -1.501  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.681  -0.470  -0.924  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.274  -1.052  -0.041  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.257   1.946  -1.287  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.761   3.184  -1.983  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.753   3.129  -2.671  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.107   4.348  -1.839  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.523  -0.361   0.439  1.00  0.00           O  
HETATM   24  C   UNL     1       0.177  -1.096  -0.224  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.445  -2.210  -1.025  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.962  -2.194  -0.828  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.514  -0.958  -1.389  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.582  -3.399  -1.539  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.081  -3.452  -1.239  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.723  -4.581  -2.049  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.294  -3.711   0.254  1.00  0.00           C  
HETATM   32  N   UNL     1       1.513  -0.916  -0.244  1.00  0.00           N  
HETATM   33  C   UNL     1       2.118   0.167   0.534  1.00  0.00           C  
HETATM   34  C   UNL     1       3.435   0.557  -0.086  1.00  0.00           C  
HETATM   35  O   UNL     1       3.829  -0.014  -1.081  1.00  0.00           O  
HETATM   36  C   UNL     1       2.351  -0.306   1.971  1.00  0.00           C  
HETATM   37  C   UNL     1       1.025  -0.578   2.631  1.00  0.00           C  
HETATM   38  C   UNL     1       0.460  -1.838   2.554  1.00  0.00           C  
HETATM   39  C   UNL     1       0.375   0.429   3.320  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.757  -2.088   3.160  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.842   0.179   3.926  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.409  -1.079   3.844  1.00  0.00           C  
HETATM   43  N   UNL     1       4.175   1.540   0.464  1.00  0.00           N  
HETATM   44  C   UNL     1       5.399   1.995  -0.200  1.00  0.00           C  
HETATM   45  C   UNL     1       6.530   1.058   0.136  1.00  0.00           C  
HETATM   46  O   UNL     1       6.418   0.279   1.052  1.00  0.00           O  
HETATM   47  C   UNL     1       5.745   3.406   0.280  1.00  0.00           C  
HETATM   48  C   UNL     1       4.679   4.368  -0.176  1.00  0.00           C  
HETATM   49  O   UNL     1       3.698   3.956  -0.748  1.00  0.00           O  
HETATM   50  O   UNL     1       4.819   5.683   0.052  1.00  0.00           O  
HETATM   51  C   UNL     1       7.802   1.094  -0.671  1.00  0.00           C  
HETATM   52  O   UNL     1       8.731   0.104  -0.155  1.00  0.00           O  
HETATM   53  C   UNL     1       9.925   0.006  -0.770  1.00  0.00           C  
HETATM   54  O   UNL     1      10.184   0.728  -1.712  1.00  0.00           O  
HETATM   55  C   UNL     1      10.920  -0.980  -0.299  1.00  0.00           C  
HETATM   56  C   UNL     1      11.849  -0.625   0.680  1.00  0.00           C  
HETATM   57  C   UNL     1      12.775  -1.550   1.116  1.00  0.00           C  
HETATM   58  C   UNL     1      12.785  -2.827   0.584  1.00  0.00           C  
HETATM   59  C   UNL     1      11.867  -3.185  -0.388  1.00  0.00           C  
HETATM   60  C   UNL     1      10.932  -2.272  -0.828  1.00  0.00           C  
HETATM   61  C   UNL     1       9.933  -2.664  -1.886  1.00  0.00           C  
HETATM   62  C   UNL     1      11.841   0.766   1.260  1.00  0.00           C  
HETATM   63  H   UNL     1     -10.327  -2.262  -2.922  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.311  -1.028  -2.099  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.375  -0.597  -3.550  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.736   1.084  -1.541  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.995   1.813  -0.190  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.980  -1.155   0.518  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.056   0.095   1.385  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.202   1.769   2.732  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.184   1.169   3.736  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.400  -0.626   2.064  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.433  -1.230   0.669  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.530   1.765  -0.109  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.426   0.669  -2.568  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.156   2.145  -0.220  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.286   1.668  -1.698  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.469   5.115  -2.305  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.214  -2.072  -2.081  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.045  -3.167  -0.688  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.191  -2.244   0.237  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.040  -0.492  -2.095  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.430  -3.303  -2.614  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.107  -4.314  -1.185  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.541  -2.502  -1.513  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.791  -4.619  -1.835  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.572  -4.397  -3.112  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.264  -5.531  -1.775  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.836  -2.907   0.830  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.362  -3.749   0.467  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.834  -4.661   0.527  1.00  0.00           H  
HETATM   92  H   UNL     1       2.073  -1.504  -0.775  1.00  0.00           H  
HETATM   93  H   UNL     1       1.450   1.028   0.539  1.00  0.00           H  
HETATM   94  H   UNL     1       2.947  -1.218   1.961  1.00  0.00           H  
HETATM   95  H   UNL     1       2.882   0.468   2.526  1.00  0.00           H  
HETATM   96  H   UNL     1       0.969  -2.626   2.020  1.00  0.00           H  
HETATM   97  H   UNL     1       0.819   1.412   3.384  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.199  -3.072   3.099  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.349   0.966   4.464  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.360  -1.275   4.317  1.00  0.00           H  
HETATM  101  H   UNL     1       3.896   1.946   1.300  1.00  0.00           H  
HETATM  102  H   UNL     1       5.244   2.006  -1.279  1.00  0.00           H  
HETATM  103  H   UNL     1       5.801   3.416   1.369  1.00  0.00           H  
HETATM  104  H   UNL     1       6.707   3.705  -0.135  1.00  0.00           H  
HETATM  105  H   UNL     1       4.109   6.261  -0.259  1.00  0.00           H  
HETATM  106  H   UNL     1       7.577   0.871  -1.714  1.00  0.00           H  
HETATM  107  H   UNL     1       8.251   2.084  -0.599  1.00  0.00           H  
HETATM  108  H   UNL     1      13.495  -1.276   1.874  1.00  0.00           H  
HETATM  109  H   UNL     1      13.512  -3.547   0.928  1.00  0.00           H  
HETATM  110  H   UNL     1      11.880  -4.184  -0.800  1.00  0.00           H  
HETATM  111  H   UNL     1       9.041  -3.073  -1.411  1.00  0.00           H  
HETATM  112  H   UNL     1       9.662  -1.786  -2.473  1.00  0.00           H  
HETATM  113  H   UNL     1      10.373  -3.416  -2.540  1.00  0.00           H  
HETATM  114  H   UNL     1      11.186   0.793   2.131  1.00  0.00           H  
HETATM  115  H   UNL     1      12.853   1.042   1.558  1.00  0.00           H  
HETATM  116  H   UNL     1      11.478   1.470   0.512  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   63   64   65                                       
CONECT    4    5   66    1                                            
CONECT    5    6    4    8   67                                       
CONECT    6    7    7    5   15                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   68   69                                       
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   70                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   71                                       
CONECT   13   12   12   14   72                                       
CONECT   14    9    9   13   73                                       
CONECT   15   16   74    6                                            
CONECT   16   15   17   19   75                                       
CONECT   17   16   18   18   27                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   76   77                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   78                                                 
CONECT   23   24   24                                                 
CONECT   24   23   23   25   32                                       
CONECT   25   24   26   79   80                                       
CONECT   26   25   81   27   28                                       
CONECT   27   26   82   17                                            
CONECT   28   26   83   29   84                                       
CONECT   29   28   31   30   85                                       
CONECT   30   29   88   86   87                                       
CONECT   31   29   91   89   90                                       
CONECT   32   33   92   24                                            
CONECT   33   32   34   36   93                                       
CONECT   34   33   35   35   43                                       
CONECT   35   34   34                                                 
CONECT   36   33   37   94   95                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37   40   96                                       
CONECT   39   37   41   41   97                                       
CONECT   40   38   42   42   98                                       
CONECT   41   39   39   42   99                                       
CONECT   42   40   40   41  100                                       
CONECT   43   44  101   34                                            
CONECT   44   47   45   43  102                                       
CONECT   45   46   46   51   44                                       
CONECT   46   45   45                                                 
CONECT   47   48   44  103  104                                       
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48  105                                                 
CONECT   51   45  106  107   52                                       
CONECT   52   51   53                                                 
CONECT   53   52   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   56   60   60                                       
CONECT   56   55   57   57   62                                       
CONECT   57   56   56   58  108                                       
CONECT   58   57   59   59  109                                       
CONECT   59   58   58   60  110                                       
CONECT   60   59   55   55   61                                       
CONECT   61   60  111  112  113                                       
CONECT   62   56  114  115  116                                       
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    5                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70   10                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   22                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   57                                                      
CONECT  109   58                                                      
CONECT  110   59                                                      
CONECT  111   61                                                      
CONECT  112   61                                                      
CONECT  113   61                                                      
CONECT  114   62                                                      
CONECT  115   62                                                      
CONECT  116   62                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
