COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.725   0.537  -0.435  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.513  -0.374  -0.595  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.164   1.809  -0.401  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.592   2.017  -0.562  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.895   3.492  -0.498  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.185   4.086   0.716  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.458   5.440   0.776  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.451   6.198  -0.380  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.166   5.603  -1.595  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.888   4.251  -1.654  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.955  -1.158   2.594  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.289  -1.223   2.950  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.181  -1.931   2.166  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.738  -2.574   1.025  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.405  -2.505   0.666  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.512  -1.801   1.453  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.058  -1.730   1.064  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.932  -1.110  -0.329  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.488  -1.132  -0.759  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.665  -0.480  -0.153  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.411   0.274  -0.292  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.474  -3.119   1.051  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.541  -3.486   2.003  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.004  -4.760   1.990  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.402  -5.668   1.026  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.335  -5.301   0.075  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.875  -4.029   0.090  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.112  -1.875  -1.819  1.00  0.00           N  
HETATM   29  C   UNL     1       0.271  -2.045  -2.301  1.00  0.00           C  
HETATM   30  C   UNL     1       1.040  -0.757  -2.154  1.00  0.00           C  
HETATM   31  O   UNL     1       0.451   0.304  -2.151  1.00  0.00           O  
HETATM   32  C   UNL     1       0.125  -2.418  -3.798  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.142  -3.312  -3.774  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.012  -2.650  -2.685  1.00  0.00           C  
HETATM   35  O   UNL     1       2.280   0.687   1.222  1.00  0.00           O  
HETATM   36  O   UNL     1       5.181   0.530   0.561  1.00  0.00           O  
HETATM   37  O   UNL     1       3.471  -1.155   0.169  1.00  0.00           O  
HETATM   38  C   UNL     1       8.451   2.709  -1.232  1.00  0.00           C  
HETATM   39  C   UNL     1       6.415   1.690  -1.912  1.00  0.00           C  
HETATM   40  C   UNL     1       5.164   1.741  -2.319  1.00  0.00           C  
HETATM   41  C   UNL     1       4.407   0.465  -2.587  1.00  0.00           C  
HETATM   42  C   UNL     1       3.117   0.456  -1.764  1.00  0.00           C  
HETATM   43  O   UNL     1       7.097   2.838  -1.671  1.00  0.00           O  
HETATM   44  P   UNL     1       3.537   0.560   0.055  1.00  0.00           P  
HETATM   45  C   UNL     1       4.601  -1.719   0.669  1.00  0.00           C  
HETATM   46  O   UNL     1       3.603   2.275  -0.059  1.00  0.00           O  
HETATM   47  C   UNL     1       4.010   2.890   1.083  1.00  0.00           C  
HETATM   48  C   UNL     1       5.363   2.995   1.371  1.00  0.00           C  
HETATM   49  C   UNL     1       5.775   3.621   2.532  1.00  0.00           C  
HETATM   50  C   UNL     1       4.839   4.141   3.407  1.00  0.00           C  
HETATM   51  C   UNL     1       3.490   4.038   3.122  1.00  0.00           C  
HETATM   52  C   UNL     1       3.074   3.418   1.960  1.00  0.00           C  
HETATM   53  N   UNL     1       2.381  -0.784  -2.024  1.00  0.00           N  
HETATM   54  C   UNL     1       5.587  -2.181  -0.192  1.00  0.00           C  
HETATM   55  C   UNL     1       4.775  -1.831   2.041  1.00  0.00           C  
HETATM   56  C   UNL     1       5.925  -2.405   2.546  1.00  0.00           C  
HETATM   57  C   UNL     1       6.903  -2.869   1.686  1.00  0.00           C  
HETATM   58  C   UNL     1       6.735  -2.755   0.319  1.00  0.00           C  
HETATM   59  H   UNL     1      -6.911   1.623  -1.527  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.127   1.502   0.235  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.194   3.493   1.619  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.680   5.905   1.725  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.667   7.255  -0.334  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.160   6.196  -2.498  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.666   3.786  -2.603  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.259  -0.604   3.206  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.635  -0.720   3.842  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.223  -1.982   2.445  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.434  -3.127   0.413  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.060  -3.004  -0.227  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.519  -1.116   1.786  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.531  -1.683  -1.037  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.782   1.001  -0.165  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.230  -2.777   2.756  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.275  -5.046   2.733  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.982  -6.663   1.015  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.645  -6.010  -0.679  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.607  -3.743  -0.651  1.00  0.00           H  
HETATM   79  H   UNL     1       0.768  -2.847  -1.757  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.035  -1.529  -4.408  1.00  0.00           H  
HETATM   81  H   UNL     1       0.993  -2.978  -4.147  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.649  -3.288  -4.739  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.888  -4.334  -3.496  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.744  -1.987  -3.147  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.521  -3.416  -2.100  1.00  0.00           H  
HETATM   86  H   UNL     1       2.043   1.596   1.449  1.00  0.00           H  
HETATM   87  H   UNL     1       5.815   0.458  -0.165  1.00  0.00           H  
HETATM   88  H   UNL     1       8.878   3.700  -1.076  1.00  0.00           H  
HETATM   89  H   UNL     1       8.478   2.150  -0.297  1.00  0.00           H  
HETATM   90  H   UNL     1       9.029   2.179  -1.989  1.00  0.00           H  
HETATM   91  H   UNL     1       6.899   0.735  -1.771  1.00  0.00           H  
HETATM   92  H   UNL     1       4.680   2.696  -2.460  1.00  0.00           H  
HETATM   93  H   UNL     1       4.162   0.405  -3.647  1.00  0.00           H  
HETATM   94  H   UNL     1       5.023  -0.389  -2.306  1.00  0.00           H  
HETATM   95  H   UNL     1       2.500   1.310  -2.044  1.00  0.00           H  
HETATM   96  H   UNL     1       6.095   2.588   0.688  1.00  0.00           H  
HETATM   97  H   UNL     1       6.828   3.703   2.757  1.00  0.00           H  
HETATM   98  H   UNL     1       5.163   4.629   4.314  1.00  0.00           H  
HETATM   99  H   UNL     1       2.761   4.445   3.807  1.00  0.00           H  
HETATM  100  H   UNL     1       2.020   3.341   1.736  1.00  0.00           H  
HETATM  101  H   UNL     1       2.859  -1.624  -2.104  1.00  0.00           H  
HETATM  102  H   UNL     1       5.456  -2.092  -1.260  1.00  0.00           H  
HETATM  103  H   UNL     1       4.011  -1.468   2.713  1.00  0.00           H  
HETATM  104  H   UNL     1       6.060  -2.492   3.614  1.00  0.00           H  
HETATM  105  H   UNL     1       7.802  -3.318   2.083  1.00  0.00           H  
HETATM  106  H   UNL     1       7.502  -3.114  -0.351  1.00  0.00           H  
CONECT    1   21    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   59   60                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   61                                       
CONECT    7    8    6    6   62                                       
CONECT    8    9    9    7   63                                       
CONECT    9   10    8    8   64                                       
CONECT   10    5    5    9   65                                       
CONECT   11   16   16   12   66                                       
CONECT   12   11   13   13   67                                       
CONECT   13   12   12   14   68                                       
CONECT   14   13   15   15   69                                       
CONECT   15   16   14   14   70                                       
CONECT   16   17   11   11   15                                       
CONECT   17   18   16   22   71                                       
CONECT   18   19   17   21   72                                       
CONECT   19   18   28   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   18    1   73                                            
CONECT   22   17   23   23   27                                       
CONECT   23   22   22   24   74                                       
CONECT   24   23   25   25   75                                       
CONECT   25   24   24   26   76                                       
CONECT   26   25   27   27   77                                       
CONECT   27   22   26   26   78                                       
CONECT   28   29   19   34                                            
CONECT   29   30   32   28   79                                       
CONECT   30   29   53   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   28   84   85                                       
CONECT   35   44   86                                                 
CONECT   36   44   87                                                 
CONECT   37   44   45                                                 
CONECT   38   43   88   89   90                                       
CONECT   39   40   40   43   91                                       
CONECT   40   39   39   41   92                                       
CONECT   41   40   42   93   94                                       
CONECT   42   41   44   53   95                                       
CONECT   43   38   39                                                 
CONECT   44   35   36   37   42                                       
CONECT   44   46                                                      
CONECT   45   37   55   54   54                                       
CONECT   46   44   47                                                 
CONECT   47   46   48   48   52                                       
CONECT   48   47   47   49   96                                       
CONECT   49   48   50   50   97                                       
CONECT   50   49   49   51   98                                       
CONECT   51   50   52   52   99                                       
CONECT   52   47   51   51  100                                       
CONECT   53   42   30  101                                            
CONECT   54   45   45   58  102                                       
CONECT   55   45   56   56  103                                       
CONECT   56   55   55   57  104                                       
CONECT   57   56   58   58  105                                       
CONECT   58   54   57   57  106                                       
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   29                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   52                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   55                                                      
CONECT  104   56                                                      
CONECT  105   57                                                      
CONECT  106   58                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
