COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.291  -0.029  -1.342  1.00  0.00           C  
HETATM    2  N   UNL     1     -10.758  -0.767  -0.195  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.458  -0.645   0.139  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.728   0.079  -0.511  1.00  0.00           O  
HETATM    5  N   UNL     1      -8.967  -1.324   1.195  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.615  -1.286   1.472  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.125  -2.022   2.428  1.00  0.00           N  
HETATM    8  N   UNL     1      -6.785  -0.472   0.738  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.373  -0.343   1.105  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.679   0.615   0.135  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.267   0.744   0.502  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.454   1.542  -0.217  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.892   2.155  -1.171  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.156   1.661   0.120  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.332   2.546  -0.706  1.00  0.00           C  
HETATM   16  C   UNL     1       0.576   3.348   0.203  1.00  0.00           C  
HETATM   17  C   UNL     1       1.125   4.595  -0.464  1.00  0.00           C  
HETATM   18  C   UNL     1       0.272   1.755  -1.841  1.00  0.00           C  
HETATM   19  C   UNL     1       1.612   2.254  -2.356  1.00  0.00           C  
HETATM   20  C   UNL     1       0.352   0.280  -1.535  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.671  -0.366  -1.461  1.00  0.00           O  
HETATM   22  O   UNL     1       1.544  -0.322  -1.377  1.00  0.00           O  
HETATM   23  C   UNL     1       1.558  -1.760  -1.235  1.00  0.00           C  
HETATM   24  C   UNL     1       1.217  -2.174   0.193  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.298  -2.339   0.328  1.00  0.00           C  
HETATM   26  C   UNL     1       2.838  -2.404  -1.735  1.00  0.00           C  
HETATM   27  O   UNL     1       3.087  -2.003  -3.089  1.00  0.00           O  
HETATM   28  C   UNL     1       2.562  -3.934  -1.801  1.00  0.00           C  
HETATM   29  C   UNL     1       4.073  -2.230  -0.878  1.00  0.00           C  
HETATM   30  C   UNL     1       4.623  -0.827  -0.692  1.00  0.00           C  
HETATM   31  C   UNL     1       4.298   0.113  -1.839  1.00  0.00           C  
HETATM   32  O   UNL     1       3.892  -2.870   0.384  1.00  0.00           O  
HETATM   33  C   UNL     1       4.755  -2.504   1.448  1.00  0.00           C  
HETATM   34  C   UNL     1       6.185  -2.968   1.151  1.00  0.00           C  
HETATM   35  C   UNL     1       4.279  -3.220   2.725  1.00  0.00           C  
HETATM   36  O   UNL     1       4.746  -1.105   1.696  1.00  0.00           O  
HETATM   37  C   UNL     1       4.206  -0.271   0.665  1.00  0.00           C  
HETATM   38  C   UNL     1       4.730   1.150   0.891  1.00  0.00           C  
HETATM   39  C   UNL     1       6.106   1.049   1.579  1.00  0.00           C  
HETATM   40  C   UNL     1       3.788   1.890   1.836  1.00  0.00           C  
HETATM   41  C   UNL     1       2.978   2.984   1.122  1.00  0.00           C  
HETATM   42  O   UNL     1       3.544   3.250  -0.153  1.00  0.00           O  
HETATM   43  C   UNL     1       3.071   4.244   2.001  1.00  0.00           C  
HETATM   44  C   UNL     1       1.529   2.529   1.028  1.00  0.00           C  
HETATM   45  O   UNL     1       1.486   1.151   0.644  1.00  0.00           O  
HETATM   46  C   UNL     1       2.547   0.757  -0.229  1.00  0.00           C  
HETATM   47  C   UNL     1       2.661  -0.711  -0.232  1.00  0.00           C  
HETATM   48  C   UNL     1       2.751  -1.881  -0.235  1.00  0.00           C  
HETATM   49  H   UNL     1     -10.758  -0.325  -2.246  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.352  -0.252  -1.457  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.161   1.041  -1.178  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.340  -1.344   0.323  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.564  -1.840   1.760  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.696  -2.650   2.898  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.135   0.016  -0.023  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.296   0.048   2.120  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.894  -1.321   1.056  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.756   0.223  -0.879  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.159   1.592   0.184  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.917   0.255   1.264  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.052   3.269  -1.155  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.145   3.772   0.981  1.00  0.00           H  
HETATM   63  H   UNL     1       0.306   5.280  -0.684  1.00  0.00           H  
HETATM   64  H   UNL     1       1.836   5.082   0.204  1.00  0.00           H  
HETATM   65  H   UNL     1       1.627   4.320  -1.391  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.442   1.835  -2.702  1.00  0.00           H  
HETATM   67  H   UNL     1       2.217   2.601  -1.518  1.00  0.00           H  
HETATM   68  H   UNL     1       2.130   1.443  -2.867  1.00  0.00           H  
HETATM   69  H   UNL     1       1.450   3.077  -3.052  1.00  0.00           H  
HETATM   70  H   UNL     1       0.735  -2.149  -1.878  1.00  0.00           H  
HETATM   71  H   UNL     1       1.708  -3.119   0.424  1.00  0.00           H  
HETATM   72  H   UNL     1       1.562  -1.407   0.886  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.546  -2.582   1.361  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.792  -1.410   0.044  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.636  -3.144  -0.325  1.00  0.00           H  
HETATM   76  H   UNL     1       2.386  -2.251  -3.707  1.00  0.00           H  
HETATM   77  H   UNL     1       1.798  -4.133  -2.552  1.00  0.00           H  
HETATM   78  H   UNL     1       3.480  -4.457  -2.067  1.00  0.00           H  
HETATM   79  H   UNL     1       2.214  -4.282  -0.828  1.00  0.00           H  
HETATM   80  H   UNL     1       4.885  -2.807  -1.392  1.00  0.00           H  
HETATM   81  H   UNL     1       5.736  -0.914  -0.673  1.00  0.00           H  
HETATM   82  H   UNL     1       3.300  -0.109  -2.219  1.00  0.00           H  
HETATM   83  H   UNL     1       4.331   1.143  -1.485  1.00  0.00           H  
HETATM   84  H   UNL     1       5.029  -0.021  -2.637  1.00  0.00           H  
HETATM   85  H   UNL     1       6.823  -2.749   2.007  1.00  0.00           H  
HETATM   86  H   UNL     1       6.187  -4.042   0.962  1.00  0.00           H  
HETATM   87  H   UNL     1       6.562  -2.444   0.273  1.00  0.00           H  
HETATM   88  H   UNL     1       3.270  -2.889   2.972  1.00  0.00           H  
HETATM   89  H   UNL     1       4.277  -4.298   2.558  1.00  0.00           H  
HETATM   90  H   UNL     1       4.952  -2.981   3.548  1.00  0.00           H  
HETATM   91  H   UNL     1       3.121  -0.277   0.748  1.00  0.00           H  
HETATM   92  H   UNL     1       4.863   1.686  -0.034  1.00  0.00           H  
HETATM   93  H   UNL     1       6.792   0.493   0.941  1.00  0.00           H  
HETATM   94  H   UNL     1       6.501   2.050   1.751  1.00  0.00           H  
HETATM   95  H   UNL     1       5.998   0.532   2.533  1.00  0.00           H  
HETATM   96  H   UNL     1       3.103   1.184   2.305  1.00  0.00           H  
HETATM   97  H   UNL     1       4.383   2.362   2.628  1.00  0.00           H  
HETATM   98  H   UNL     1       4.461   3.555  -0.120  1.00  0.00           H  
HETATM   99  H   UNL     1       4.103   4.593   2.028  1.00  0.00           H  
HETATM  100  H   UNL     1       2.434   5.025   1.586  1.00  0.00           H  
HETATM  101  H   UNL     1       2.742   4.006   3.013  1.00  0.00           H  
HETATM  102  H   UNL     1       1.138   2.540   2.082  1.00  0.00           H  
HETATM  103  H   UNL     1       2.336   1.108  -1.239  1.00  0.00           H  
HETATM  104  H   UNL     1       3.484   1.193   0.119  1.00  0.00           H  
HETATM  105  H   UNL     1       2.832  -2.928  -0.238  1.00  0.00           H  
CONECT    1    2   49   50   51                                       
CONECT    2    1    3   52                                            
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   53                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6   54                                            
CONECT    8    9    6   55                                            
CONECT    9   10    8   56   57                                       
CONECT   10   11    9   58   59                                       
CONECT   11   12   10   60                                            
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   12                                                 
CONECT   15   16   18   14   61                                       
CONECT   16   44   15   17   62                                       
CONECT   17   16   63   64   65                                       
CONECT   18   20   15   19   66                                       
CONECT   19   18   67   68   69                                       
CONECT   20   21   21   22   18                                       
CONECT   21   20   20                                                 
CONECT   22   23   20                                                 
CONECT   23   26   24   22   70                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   73   74   75                                       
CONECT   26   29   27   23   28                                       
CONECT   27   26   76                                                 
CONECT   28   26   77   78   79                                       
CONECT   29   32   30   26   80                                       
CONECT   30   37   31   29   81                                       
CONECT   31   30   82   83   84                                       
CONECT   32   33   29                                                 
CONECT   33   35   34   36   32                                       
CONECT   34   33   85   86   87                                       
CONECT   35   33   88   89   90                                       
CONECT   36   33   37                                                 
CONECT   37   36   38   30   91                                       
CONECT   38   37   39   40   92                                       
CONECT   39   38   93   94   95                                       
CONECT   40   38   41   96   97                                       
CONECT   41   42   43   40   44                                       
CONECT   42   41   98                                                 
CONECT   43   41   99  100  101                                       
CONECT   44   41   16   45  102                                       
CONECT   45   44   46                                                 
CONECT   46   45   47  103  104                                       
CONECT   47   46   48   48   48                                       
CONECT   48   47   47   47  105                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   48                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
