COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.102   2.986  -0.513  1.00  0.00           N  
HETATM    2  C   UNL     1       3.243   2.046  -0.426  1.00  0.00           C  
HETATM    3  C   UNL     1       2.862   0.762  -1.118  1.00  0.00           C  
HETATM    4  O   UNL     1       2.265   0.788  -2.173  1.00  0.00           O  
HETATM    5  C   UNL     1       3.564   1.761   1.043  1.00  0.00           C  
HETATM    6  C   UNL     1       4.932   1.139   1.148  1.00  0.00           C  
HETATM    7  C   UNL     1       5.207  -0.146   1.419  1.00  0.00           C  
HETATM    8  C   UNL     1       6.216   1.822   0.966  1.00  0.00           C  
HETATM    9  N   UNL     1       6.561  -0.342   1.432  1.00  0.00           N  
HETATM   10  C   UNL     1       7.207   0.843   1.158  1.00  0.00           C  
HETATM   11  C   UNL     1       6.583   3.135   0.667  1.00  0.00           C  
HETATM   12  C   UNL     1       8.547   1.199   1.047  1.00  0.00           C  
HETATM   13  C   UNL     1       7.905   3.464   0.563  1.00  0.00           C  
HETATM   14  C   UNL     1       8.887   2.500   0.751  1.00  0.00           C  
HETATM   15  N   UNL     1       3.197  -0.425  -0.543  1.00  0.00           N  
HETATM   16  C   UNL     1       2.794  -1.645  -1.270  1.00  0.00           C  
HETATM   17  C   UNL     1       1.762  -2.380  -0.454  1.00  0.00           C  
HETATM   18  O   UNL     1       1.495  -2.020   0.673  1.00  0.00           O  
HETATM   19  C   UNL     1       4.015  -2.543  -1.481  1.00  0.00           C  
HETATM   20  C   UNL     1       4.999  -1.848  -2.386  1.00  0.00           C  
HETATM   21  O   UNL     1       4.751  -0.748  -2.818  1.00  0.00           O  
HETATM   22  O   UNL     1       6.153  -2.452  -2.712  1.00  0.00           O  
HETATM   23  N   UNL     1       1.132  -3.459  -1.008  1.00  0.00           N  
HETATM   24  C   UNL     1       0.137  -4.126  -0.138  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.242  -3.692  -0.563  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.421  -3.194  -1.654  1.00  0.00           O  
HETATM   27  C   UNL     1       0.376  -3.722   1.319  1.00  0.00           C  
HETATM   28  C   UNL     1       1.709  -4.301   1.796  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.757  -4.264   2.191  1.00  0.00           C  
HETATM   30  C   UNL     1       2.812  -3.928   0.804  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.285  -3.868   0.295  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.609  -3.418  -0.177  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.980  -2.152   0.552  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.504  -1.904   1.639  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.652  -4.500   0.112  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.338  -5.730  -0.700  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.375  -5.740  -1.437  1.00  0.00           O  
HETATM   38  N   UNL     1      -5.126  -6.819  -0.606  1.00  0.00           N  
HETATM   39  N   UNL     1      -4.863  -1.289  -0.034  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.166  -0.067   0.747  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.021   1.130  -0.157  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.722   1.247  -1.139  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.186   0.050   1.916  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.456   1.326   2.671  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.402   2.022   2.367  1.00  0.00           O  
HETATM   46  N   UNL     1      -3.647   1.694   3.684  1.00  0.00           N  
HETATM   47  N   UNL     1      -4.092   2.079   0.145  1.00  0.00           N  
HETATM   48  C   UNL     1      -4.002   3.227  -0.779  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.699   3.946  -0.547  1.00  0.00           C  
HETATM   50  O   UNL     1      -2.667   4.970   0.102  1.00  0.00           O  
HETATM   51  C   UNL     1      -5.167   4.184  -0.521  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.194   5.244  -1.592  1.00  0.00           C  
HETATM   53  O   UNL     1      -4.421   5.183  -2.524  1.00  0.00           O  
HETATM   54  N   UNL     1      -6.076   6.260  -1.513  1.00  0.00           N  
HETATM   55  N   UNL     1      -1.553   3.424  -1.079  1.00  0.00           N  
HETATM   56  C   UNL     1      -0.326   4.217  -0.838  1.00  0.00           C  
HETATM   57  C   UNL     1       0.132   3.984   0.603  1.00  0.00           C  
HETATM   58  C   UNL     1       1.326   3.065   0.610  1.00  0.00           C  
HETATM   59  O   UNL     1       1.591   2.405   1.592  1.00  0.00           O  
HETATM   60  H   UNL     1       1.920   3.510  -1.308  1.00  0.00           H  
HETATM   61  H   UNL     1       4.114   2.481  -0.915  1.00  0.00           H  
HETATM   62  H   UNL     1       3.545   2.694   1.606  1.00  0.00           H  
HETATM   63  H   UNL     1       2.821   1.076   1.451  1.00  0.00           H  
HETATM   64  H   UNL     1       4.468  -0.913   1.601  1.00  0.00           H  
HETATM   65  H   UNL     1       7.000  -1.189   1.605  1.00  0.00           H  
HETATM   66  H   UNL     1       5.824   3.890   0.518  1.00  0.00           H  
HETATM   67  H   UNL     1       9.319   0.457   1.192  1.00  0.00           H  
HETATM   68  H   UNL     1       8.188   4.480   0.332  1.00  0.00           H  
HETATM   69  H   UNL     1       9.928   2.775   0.665  1.00  0.00           H  
HETATM   70  H   UNL     1       3.676  -0.468   0.299  1.00  0.00           H  
HETATM   71  H   UNL     1       2.369  -1.371  -2.236  1.00  0.00           H  
HETATM   72  H   UNL     1       4.486  -2.747  -0.520  1.00  0.00           H  
HETATM   73  H   UNL     1       3.701  -3.482  -1.939  1.00  0.00           H  
HETATM   74  H   UNL     1       6.753  -1.967  -3.295  1.00  0.00           H  
HETATM   75  H   UNL     1       1.323  -3.766  -1.908  1.00  0.00           H  
HETATM   76  H   UNL     1       0.228  -5.207  -0.239  1.00  0.00           H  
HETATM   77  H   UNL     1       0.405  -2.635   1.394  1.00  0.00           H  
HETATM   78  H   UNL     1       1.952  -3.894   2.778  1.00  0.00           H  
HETATM   79  H   UNL     1       1.631  -5.386   1.862  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.095  -5.221   1.794  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.398  -4.400   3.211  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.587  -3.557   2.190  1.00  0.00           H  
HETATM   83  H   UNL     1       3.721  -4.479   1.046  1.00  0.00           H  
HETATM   84  H   UNL     1       2.493  -4.182  -0.207  1.00  0.00           H  
HETATM   85  H   UNL     1       3.010  -2.858   0.864  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.164  -4.268   1.170  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.569  -3.224  -1.249  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.631  -4.750   1.173  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.642  -4.131  -0.155  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.896  -6.811  -0.016  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.924  -7.610  -1.129  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.262  -1.463  -0.901  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.187  -0.119   1.125  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.315  -0.801   2.585  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.165   0.062   1.535  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.890   1.138   3.927  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.820   2.516   4.170  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.520   2.005   0.924  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.043   2.871  -1.809  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.105   3.628  -0.537  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.041   4.656   0.454  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.695   6.308  -0.767  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.094   6.942  -2.203  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.545   2.593  -1.579  1.00  0.00           H  
HETATM  105  H   UNL     1       0.457   3.898  -1.527  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.539   5.276  -0.988  1.00  0.00           H  
HETATM  107  H   UNL     1       0.408   4.937   1.055  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.680   3.533   1.173  1.00  0.00           H  
CONECT    1    2   60   58                                            
CONECT    2    1    3    5   61                                       
CONECT    3    2    4    4   15                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   62   63                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   64                                       
CONECT    8    6   10   10   11                                       
CONECT    9    7   10   65                                            
CONECT   10    8    8    9   12                                       
CONECT   11    8   13   13   66                                       
CONECT   12   10   14   14   67                                       
CONECT   13   11   11   14   68                                       
CONECT   14   12   12   13   69                                       
CONECT   15   16   70    3                                            
CONECT   16   15   17   19   71                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   72   73                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   74                                                 
CONECT   23   24   75   17                                            
CONECT   24   23   25   27   76                                       
CONECT   25   24   26   26   31                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   29   77                                       
CONECT   28   27   30   78   79                                       
CONECT   29   27   80   81   82                                       
CONECT   30   28   83   84   85                                       
CONECT   31   32   86   25                                            
CONECT   32   31   33   35   87                                       
CONECT   33   32   34   34   39                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   88   89                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   90   91                                            
CONECT   39   40   92   33                                            
CONECT   40   39   41   43   93                                       
CONECT   41   40   42   42   47                                       
CONECT   42   41   41                                                 
CONECT   43   40   44   94   95                                       
CONECT   44   43   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   96   97                                            
CONECT   47   48   98   41                                            
CONECT   48   47   49   51   99                                       
CONECT   49   48   50   50   55                                       
CONECT   50   49   49                                                 
CONECT   51   48   52  100  101                                       
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52  102  103                                            
CONECT   55   56  104   49                                            
CONECT   56   55   57  105  106                                       
CONECT   57   56   58  107  108                                       
CONECT   58   57   59   59    1                                       
CONECT   59   58   58                                                 
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
CONECT  104   55                                                      
CONECT  105   56                                                      
CONECT  106   56                                                      
CONECT  107   57                                                      
CONECT  108   57                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
