COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.111   0.693   1.638  1.00  0.00           C  
HETATM    2  C   UNL     1       4.546   1.025   2.124  1.00  0.00           C  
HETATM    3  C   UNL     1       5.397   0.236   1.119  1.00  0.00           C  
HETATM    4  C   UNL     1       4.592   0.181  -0.180  1.00  0.00           C  
HETATM    5  C   UNL     1       5.359   0.886  -1.299  1.00  0.00           C  
HETATM    6  C   UNL     1       7.341   0.727  -2.638  1.00  0.00           C  
HETATM    7  C   UNL     1       3.318   0.943   0.191  1.00  0.00           C  
HETATM    8  C   UNL     1       2.680   1.608  -0.742  1.00  0.00           C  
HETATM    9  C   UNL     1       1.523   2.539  -0.476  1.00  0.00           C  
HETATM   10  C   UNL     1       1.850   3.616   0.554  1.00  0.00           C  
HETATM   11  C   UNL     1       0.391   1.603  -0.166  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.578   1.757  -1.034  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.911   1.053  -0.982  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.085   0.198  -2.239  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.033   2.091  -0.912  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.363   2.188  -0.206  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.570   1.579   0.461  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.852   2.412   0.497  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.040   2.201   1.777  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.208   2.733  -2.108  1.00  0.00           C  
HETATM   21  C   UNL     1       1.196   3.259  -1.802  1.00  0.00           C  
HETATM   22  C   UNL     1       0.372   0.499   0.866  1.00  0.00           C  
HETATM   23  C   UNL     1       1.219  -1.651   1.492  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.390  -2.818   0.150  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.782  -3.452   0.203  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.102  -2.976  -0.166  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.824  -2.528   1.107  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.076  -4.504  -0.226  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.829  -2.437  -1.371  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.575  -1.227  -1.803  1.00  0.00           C  
HETATM   31  C   UNL     1       0.639  -3.880  -0.247  1.00  0.00           C  
HETATM   32  C   UNL     1       2.037  -3.252  -0.239  1.00  0.00           C  
HETATM   33  C   UNL     1       2.313  -2.665   1.148  1.00  0.00           C  
HETATM   34  C   UNL     1       0.639   1.202   2.172  1.00  0.00           C  
HETATM   35  C   UNL     1       2.078   1.161   2.602  1.00  0.00           C  
HETATM   36  C   UNL     1       2.482   2.432   3.358  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.206   1.499  -0.265  1.00  0.00           N  
HETATM   38  O   UNL     1       6.547   0.150  -1.599  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.433   3.298  -0.688  1.00  0.00           O  
HETATM   40  O   UNL     1       2.109   2.951  -2.843  1.00  0.00           O  
HETATM   41  O   UNL     1       1.254  -0.576   0.551  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.057  -2.292   1.436  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.763  -2.476  -0.155  1.00  0.00           O  
HETATM   44  O   UNL     1       0.342  -4.367  -1.557  1.00  0.00           O  
HETATM   45  O   UNL     1       3.012  -4.254  -0.537  1.00  0.00           O  
HETATM   46  O   UNL     1       3.585  -2.014   1.147  1.00  0.00           O  
HETATM   47  O   UNL     1       0.049   2.497   2.251  1.00  0.00           O  
HETATM   48  H   UNL     1       3.089  -0.439   1.724  1.00  0.00           H  
HETATM   49  H   UNL     1       4.746   2.084   2.030  1.00  0.00           H  
HETATM   50  H   UNL     1       4.696   0.652   3.128  1.00  0.00           H  
HETATM   51  H   UNL     1       6.344   0.743   0.954  1.00  0.00           H  
HETATM   52  H   UNL     1       5.565  -0.773   1.493  1.00  0.00           H  
HETATM   53  H   UNL     1       4.341  -0.841  -0.452  1.00  0.00           H  
HETATM   54  H   UNL     1       4.732   0.943  -2.189  1.00  0.00           H  
HETATM   55  H   UNL     1       5.627   1.893  -0.978  1.00  0.00           H  
HETATM   56  H   UNL     1       8.223   0.110  -2.806  1.00  0.00           H  
HETATM   57  H   UNL     1       6.755   0.781  -3.556  1.00  0.00           H  
HETATM   58  H   UNL     1       7.649   1.731  -2.345  1.00  0.00           H  
HETATM   59  H   UNL     1       3.020   1.491  -1.772  1.00  0.00           H  
HETATM   60  H   UNL     1       0.928   3.973   1.012  1.00  0.00           H  
HETATM   61  H   UNL     1       2.500   3.198   1.323  1.00  0.00           H  
HETATM   62  H   UNL     1       2.357   4.447   0.062  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.951   0.415  -0.100  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.113   0.279  -2.594  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.404   0.549  -3.014  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.863  -0.843  -2.004  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.696   2.952  -0.335  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.297   2.410  -1.921  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.674   0.499   0.349  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.824   3.401   0.039  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.800   1.881   0.409  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.453   1.531   2.531  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.476   3.051   2.161  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.206   2.231  -3.078  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.919   3.558  -2.124  1.00  0.00           H  
HETATM   76  H   UNL     1       1.160   4.339  -1.623  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.652   0.051   0.918  1.00  0.00           H  
HETATM   78  H   UNL     1       1.387  -1.261   2.496  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.385  -2.013  -0.585  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.828  -4.287  -0.496  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.979  -3.812   1.213  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.843  -1.439   1.150  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.845  -2.909   1.098  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.298  -2.917   1.979  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.550  -4.893   0.646  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.097  -4.885  -0.235  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.562  -4.823  -1.133  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.559  -3.050  -1.880  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.755  -0.664  -1.381  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.185  -0.791  -2.580  1.00  0.00           H  
HETATM   91  H   UNL     1       0.606  -4.705   0.464  1.00  0.00           H  
HETATM   92  H   UNL     1       2.086  -2.460  -0.987  1.00  0.00           H  
HETATM   93  H   UNL     1       2.314  -3.465   1.889  1.00  0.00           H  
HETATM   94  H   UNL     1       0.074   0.608   2.958  1.00  0.00           H  
HETATM   95  H   UNL     1       2.091   0.372   3.429  1.00  0.00           H  
HETATM   96  H   UNL     1       1.951   2.473   4.309  1.00  0.00           H  
HETATM   97  H   UNL     1       3.556   2.419   3.542  1.00  0.00           H  
HETATM   98  H   UNL     1       2.226   3.307   2.761  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.150   0.611   0.122  1.00  0.00           H  
HETATM  100  H   UNL     1       1.916   3.395  -3.680  1.00  0.00           H  
HETATM  101  H   UNL     1       0.958  -5.040  -1.876  1.00  0.00           H  
HETATM  102  H   UNL     1       3.922  -3.926  -0.549  1.00  0.00           H  
HETATM  103  H   UNL     1       3.825  -1.618   1.996  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.914   2.497   2.161  1.00  0.00           H  
CONECT    1   35    7    2   48                                       
CONECT    2    1    3   49   50                                       
CONECT    3    2    4   51   52                                       
CONECT    4    7    5    3   53                                       
CONECT    5    4   38   54   55                                       
CONECT    6   38   56   57   58                                       
CONECT    7    8    8    1    4                                       
CONECT    8    9    7    7   59                                       
CONECT    9   10   11   21    8                                       
CONECT   10    9   60   61   62                                       
CONECT   11   22   12   12    9                                       
CONECT   12   11   11   13   20                                       
CONECT   13   15   12   14   63                                       
CONECT   14   13   64   65   66                                       
CONECT   15   37   13   67   68                                       
CONECT   16   17   39   39   37                                       
CONECT   17   19   18   16   69                                       
CONECT   18   19   17   70   71                                       
CONECT   19   18   17   72   73                                       
CONECT   20   12   21   74   75                                       
CONECT   21    9   20   40   76                                       
CONECT   22   41   11   34   77                                       
CONECT   23   33   42   41   78                                       
CONECT   24   31   25   42   79                                       
CONECT   25   43   24   80   81                                       
CONECT   26   29   27   43   28                                       
CONECT   27   26   82   83   84                                       
CONECT   28   26   85   86   87                                       
CONECT   29   30   30   26   88                                       
CONECT   30   29   29   89   90                                       
CONECT   31   44   32   24   91                                       
CONECT   32   45   31   33   92                                       
CONECT   33   32   46   23   93                                       
CONECT   34   22   47   35   94                                       
CONECT   35   34   36    1   95                                       
CONECT   36   35   96   97   98                                       
CONECT   37   16   15   99                                            
CONECT   38    5    6                                                 
CONECT   39   16   16                                                 
CONECT   40   21  100                                                 
CONECT   41   23   22                                                 
CONECT   42   24   23                                                 
CONECT   43   26   25                                                 
CONECT   44   31  101                                                 
CONECT   45   32  102                                                 
CONECT   46   33  103                                                 
CONECT   47   34  104                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   40                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
