COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.221   8.620  -0.700  1.00  0.00           C  
HETATM    2  C   UNL     1       7.473  -0.285   0.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.715   7.650  -0.042  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.435   5.171   0.130  1.00  0.00           C  
HETATM    5  C   UNL     1       2.206   1.346  -2.869  1.00  0.00           C  
HETATM    6  C   UNL     1       2.973  -0.907  -3.115  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.325  -3.099   0.728  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.338  -4.316  -1.560  1.00  0.00           C  
HETATM    9  C   UNL     1       7.811   0.238   2.142  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.677   6.319  -0.153  1.00  0.00           C  
HETATM   11  C   UNL     1       2.491   1.298  -1.497  1.00  0.00           C  
HETATM   12  C   UNL     1       3.265  -0.985  -1.760  1.00  0.00           C  
HETATM   13  C   UNL     1       5.200  -0.313   1.618  1.00  0.00           C  
HETATM   14  C   UNL     1       3.026   0.124  -0.936  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.470  -3.707  -0.665  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.418   6.515   0.225  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.780   5.279   0.308  1.00  0.00           C  
HETATM   18  C   UNL     1       2.447   0.256  -3.656  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.566   8.726  -0.515  1.00  0.00           C  
HETATM   20  C   UNL     1       6.144  -0.568   0.635  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.697  -4.316  -1.313  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.580   7.387  -0.618  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.966  -3.099   0.479  1.00  0.00           C  
HETATM   24  C   UNL     1       5.614   0.201   2.832  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.325   7.577  -0.237  1.00  0.00           C  
HETATM   26  C   UNL     1       3.828  -2.233  -1.188  1.00  0.00           C  
HETATM   27  C   UNL     1       2.358   2.235  -0.444  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.194  -3.708  -0.168  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.283   6.247  -0.344  1.00  0.00           C  
HETATM   30  C   UNL     1       2.796   1.640   0.697  1.00  0.00           C  
HETATM   31  C   UNL     1       3.142  -3.162  -0.381  1.00  0.00           C  
HETATM   32  C   UNL     1       5.102  -2.693  -1.352  1.00  0.00           C  
HETATM   33  C   UNL     1       2.830   2.266   2.025  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.133  -5.546   0.816  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.866  -4.295   1.398  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.301  -4.402  -0.986  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.355  -4.113   1.712  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.808  -4.225  -0.769  1.00  0.00           C  
HETATM   39  C   UNL     1       6.194  -2.025  -2.148  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.538  -5.886   2.227  1.00  0.00           C  
HETATM   41  C   UNL     1       6.408  -4.689  -0.581  1.00  0.00           C  
HETATM   42  C   UNL     1       1.826   3.640  -0.567  1.00  0.00           C  
HETATM   43  C   UNL     1       3.743  -0.609   1.372  1.00  0.00           C  
HETATM   44  C   UNL     1       1.703  -3.062   0.055  1.00  0.00           C  
HETATM   45  C   UNL     1       0.312   3.633  -0.347  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.228   5.059  -0.472  1.00  0.00           C  
HETATM   47  N   UNL     1       6.887   0.463   3.055  1.00  0.00           N  
HETATM   48  N   UNL     1       3.971  -4.125  -0.076  1.00  0.00           N  
HETATM   49  N   UNL     1       3.205   0.353   0.407  1.00  0.00           N  
HETATM   50  N   UNL     1       5.208  -3.854  -0.674  1.00  0.00           N  
HETATM   51  N   UNL     1      -4.571  -3.708   0.083  1.00  0.00           N  
HETATM   52  N   UNL     1      -7.138  -4.663   0.595  1.00  0.00           N  
HETATM   53  O   UNL     1       3.288   1.571   3.086  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.701  -6.066  -0.120  1.00  0.00           O  
HETATM   55  O   UNL     1       2.445   3.410   2.168  1.00  0.00           O  
HETATM   56  O   UNL     1       0.868  -3.707  -0.909  1.00  0.00           O  
HETATM   57  O   UNL     1      -1.643   5.052  -0.267  1.00  0.00           O  
HETATM   58  H   UNL     1      -1.643   9.506  -0.918  1.00  0.00           H  
HETATM   59  H   UNL     1       8.234  -0.466   0.163  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.223   8.601  -0.103  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.953   4.208   0.205  1.00  0.00           H  
HETATM   62  H   UNL     1       1.791   2.243  -3.303  1.00  0.00           H  
HETATM   63  H   UNL     1       3.157  -1.759  -3.752  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.710  -2.630   1.621  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.951  -4.789  -2.450  1.00  0.00           H  
HETATM   66  H   UNL     1       8.844   0.465   2.360  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.486   6.574   0.375  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.361   4.394   0.521  1.00  0.00           H  
HETATM   69  H   UNL     1       2.224   0.301  -4.712  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.048   9.691  -0.582  1.00  0.00           H  
HETATM   71  H   UNL     1       5.850  -0.977  -0.321  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.372  -4.789  -2.010  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.513   7.331  -0.773  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.290  -2.626   1.175  1.00  0.00           H  
HETATM   75  H   UNL     1       4.885   0.402   3.603  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.269  -3.796   2.161  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.624  -5.358   1.384  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.053  -5.463  -0.966  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.020  -3.980  -1.951  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.603  -4.646   2.630  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.577  -3.053   1.832  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.074  -3.175  -0.891  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.355  -4.831  -1.491  1.00  0.00           H  
HETATM   84  H   UNL     1       6.824  -1.439  -1.479  1.00  0.00           H  
HETATM   85  H   UNL     1       6.798  -2.784  -2.645  1.00  0.00           H  
HETATM   86  H   UNL     1       5.749  -1.369  -2.896  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.882  -5.369   2.928  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.568  -5.572   2.395  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.457  -6.962   2.379  1.00  0.00           H  
HETATM   90  H   UNL     1       7.000  -4.379   0.280  1.00  0.00           H  
HETATM   91  H   UNL     1       6.116  -5.733  -0.464  1.00  0.00           H  
HETATM   92  H   UNL     1       7.000  -4.576  -1.489  1.00  0.00           H  
HETATM   93  H   UNL     1       2.299   4.274   0.183  1.00  0.00           H  
HETATM   94  H   UNL     1       2.047   4.027  -1.562  1.00  0.00           H  
HETATM   95  H   UNL     1       3.639  -1.619   0.975  1.00  0.00           H  
HETATM   96  H   UNL     1       3.192  -0.529   2.309  1.00  0.00           H  
HETATM   97  H   UNL     1       1.582  -3.548   1.023  1.00  0.00           H  
HETATM   98  H   UNL     1       1.420  -2.013   0.137  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.161   2.999  -1.097  1.00  0.00           H  
HETATM  100  H   UNL     1       0.091   3.246   0.647  1.00  0.00           H  
HETATM  101  H   UNL     1       0.244   5.693   0.278  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.007   5.446  -1.467  1.00  0.00           H  
HETATM  103  H   UNL     1       3.292   2.026   3.940  1.00  0.00           H  
CONECT    1   19   22   22   58                                       
CONECT    2   20   20    9   59                                       
CONECT    3   16   16   25   60                                       
CONECT    4   17   17   10   61                                       
CONECT    5   11   11   18   62                                       
CONECT    6   18   18   12   63                                       
CONECT    7   23   23   28   64                                       
CONECT    8   15   15   21   65                                       
CONECT    9    2   47   47   66                                       
CONECT   10   25    4   29   29                                       
CONECT   11    5    5   27   14                                       
CONECT   12   14   14    6   26                                       
CONECT   13   20   43   24   24                                       
CONECT   14   11   49   12   12                                       
CONECT   15   23   56    8    8                                       
CONECT   16    3    3   17   67                                       
CONECT   17   16    4    4   68                                       
CONECT   18    5    6    6   69                                       
CONECT   19   25   25    1   70                                       
CONECT   20    2    2   13   71                                       
CONECT   21   28   28    8   72                                       
CONECT   22    1    1   29   73                                       
CONECT   23    7    7   15   74                                       
CONECT   24   13   13   47   75                                       
CONECT   25    3   19   19   10                                       
CONECT   26   12   32   32   31                                       
CONECT   27   42   11   30   30                                       
CONECT   28    7   51   21   21                                       
CONECT   29   10   10   22   57                                       
CONECT   30   27   27   33   49                                       
CONECT   31   26   44   48   48                                       
CONECT   32   26   26   39   50                                       
CONECT   33   55   55   30   53                                       
CONECT   34   54   54   40   52                                       
CONECT   35   51   37   76   77                                       
CONECT   36   38   51   78   79                                       
CONECT   37   52   35   80   81                                       
CONECT   38   36   52   82   83                                       
CONECT   39   32   84   85   86                                       
CONECT   40   34   87   88   89                                       
CONECT   41   50   90   91   92                                       
CONECT   42   45   27   93   94                                       
CONECT   43   49   13   95   96                                       
CONECT   44   31   56   97   98                                       
CONECT   45   46   42   99  100                                       
CONECT   46   57   45  101  102                                       
CONECT   47    9    9   24                                            
CONECT   48   31   31   50                                            
CONECT   49   30   14   43                                            
CONECT   50   32   48   41                                            
CONECT   51   36   35   28                                            
CONECT   52   34   38   37                                            
CONECT   53   33  103                                                 
CONECT   54   34   34                                                 
CONECT   55   33   33                                                 
CONECT   56   44   15                                                 
CONECT   57   29   46                                                 
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   53                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
