COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.690   1.803  -0.493  1.00  0.00           C  
HETATM    2  C   UNL     1       6.217  -0.552  -0.516  1.00  0.00           C  
HETATM    3  C   UNL     1       7.721  -0.261  -0.545  1.00  0.00           C  
HETATM    4  C   UNL     1       7.997   1.083   0.134  1.00  0.00           C  
HETATM    5  C   UNL     1       7.173   2.181  -0.539  1.00  0.00           C  
HETATM    6  C   UNL     1       4.880   2.855  -1.255  1.00  0.00           C  
HETATM    7  C   UNL     1       5.925  -1.812  -1.331  1.00  0.00           C  
HETATM    8  C   UNL     1       3.943   3.597  -0.301  1.00  0.00           C  
HETATM    9  C   UNL     1       5.565  -3.001  -0.443  1.00  0.00           C  
HETATM   10  C   UNL     1       8.461  -1.342   0.198  1.00  0.00           C  
HETATM   11  C   UNL     1       2.933   4.418  -1.112  1.00  0.00           C  
HETATM   12  C   UNL     1       3.667  -2.143   0.738  1.00  0.00           C  
HETATM   13  C   UNL     1       1.676   4.642  -0.265  1.00  0.00           C  
HETATM   14  C   UNL     1       3.174  -1.786   2.143  1.00  0.00           C  
HETATM   15  C   UNL     1       1.732  -1.278   2.055  1.00  0.00           C  
HETATM   16  C   UNL     1       1.680  -0.082   1.099  1.00  0.00           C  
HETATM   17  C   UNL     1       2.231  -0.505  -0.265  1.00  0.00           C  
HETATM   18  C   UNL     1       0.583   5.288  -1.117  1.00  0.00           C  
HETATM   19  C   UNL     1       4.519  -3.831  -1.153  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.546   5.780  -0.207  1.00  0.00           C  
HETATM   21  C   UNL     1       2.239   0.699  -1.208  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.872   5.728  -0.967  1.00  0.00           C  
HETATM   23  C   UNL     1       3.964  -4.886  -0.548  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.029   5.987  -0.001  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.358   5.786  -0.729  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.258   4.860   0.092  1.00  0.00           C  
HETATM   27  C   UNL     1       2.899  -5.562  -1.192  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.789   3.731  -0.795  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.638  -0.196  -0.476  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.346  -1.235   0.378  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.012   0.897   0.405  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.250  -2.650  -0.183  1.00  0.00           C  
HETATM   33  C   UNL     1       2.180  -6.518  -0.547  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.429   2.673   0.071  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.658   0.498  -1.394  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.133   1.667   1.115  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.311  -2.673  -1.706  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.980  -3.299   0.292  1.00  0.00           C  
HETATM   39  C   UNL     1       0.962  -6.913  -1.127  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.579  -4.478  -0.187  1.00  0.00           C  
HETATM   41  C   UNL     1       0.012  -7.553  -0.398  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.376  -5.029   0.315  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.294  -7.569  -0.912  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.720  -6.021  -0.329  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.358  -7.519  -0.062  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.521  -6.519   0.208  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.588  -7.088  -0.591  1.00  0.00           C  
HETATM   48  N   UNL     1       1.275  -0.862   3.388  1.00  0.00           N  
HETATM   49  O   UNL     1       5.508   0.537  -1.116  1.00  0.00           O  
HETATM   50  O   UNL     1       5.257   1.740   0.865  1.00  0.00           O  
HETATM   51  O   UNL     1       9.389   1.392   0.014  1.00  0.00           O  
HETATM   52  O   UNL     1       5.031  -2.565   0.805  1.00  0.00           O  
HETATM   53  O   UNL     1       3.564  -0.996  -0.108  1.00  0.00           O  
HETATM   54  O   UNL     1       4.703   4.477   0.530  1.00  0.00           O  
HETATM   55  O   UNL     1       9.798  -1.291   0.301  1.00  0.00           O  
HETATM   56  O   UNL     1       7.851  -2.255   0.702  1.00  0.00           O  
HETATM   57  O   UNL     1       1.997   5.496   0.836  1.00  0.00           O  
HETATM   58  O   UNL     1       4.007  -0.765   2.696  1.00  0.00           O  
HETATM   59  O   UNL     1       0.328   0.356   0.954  1.00  0.00           O  
HETATM   60  O   UNL     1       1.128   6.394  -1.840  1.00  0.00           O  
HETATM   61  O   UNL     1      -2.955   7.327   0.490  1.00  0.00           O  
HETATM   62  O   UNL     1      -6.350   5.614   0.620  1.00  0.00           O  
HETATM   63  O   UNL     1      -7.309   1.824  -0.468  1.00  0.00           O  
HETATM   64  O   UNL     1      -8.809  -1.227   1.708  1.00  0.00           O  
HETATM   65  O   UNL     1      -6.136   2.605   1.240  1.00  0.00           O  
HETATM   66  H   UNL     1       5.890  -0.671   0.512  1.00  0.00           H  
HETATM   67  H   UNL     1       8.066  -0.228  -1.577  1.00  0.00           H  
HETATM   68  H   UNL     1       7.729   1.018   1.189  1.00  0.00           H  
HETATM   69  H   UNL     1       7.487   2.290  -1.577  1.00  0.00           H  
HETATM   70  H   UNL     1       7.319   3.122  -0.009  1.00  0.00           H  
HETATM   71  H   UNL     1       5.562   3.569  -1.723  1.00  0.00           H  
HETATM   72  H   UNL     1       4.292   2.364  -2.032  1.00  0.00           H  
HETATM   73  H   UNL     1       5.087  -1.609  -2.006  1.00  0.00           H  
HETATM   74  H   UNL     1       6.793  -2.066  -1.943  1.00  0.00           H  
HETATM   75  H   UNL     1       3.399   2.882   0.315  1.00  0.00           H  
HETATM   76  H   UNL     1       6.447  -3.615  -0.269  1.00  0.00           H  
HETATM   77  H   UNL     1       3.380   5.377  -1.371  1.00  0.00           H  
HETATM   78  H   UNL     1       2.671   3.879  -2.019  1.00  0.00           H  
HETATM   79  H   UNL     1       3.057  -2.950   0.333  1.00  0.00           H  
HETATM   80  H   UNL     1       1.318   3.683   0.111  1.00  0.00           H  
HETATM   81  H   UNL     1       3.211  -2.671   2.778  1.00  0.00           H  
HETATM   82  H   UNL     1       1.087  -2.073   1.681  1.00  0.00           H  
HETATM   83  H   UNL     1       2.286   0.731   1.500  1.00  0.00           H  
HETATM   84  H   UNL     1       1.602  -1.291  -0.684  1.00  0.00           H  
HETATM   85  H   UNL     1       0.191   4.556  -1.821  1.00  0.00           H  
HETATM   86  H   UNL     1       4.215  -3.569  -2.157  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.606   5.139   0.673  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.339   6.801   0.103  1.00  0.00           H  
HETATM   89  H   UNL     1       2.633   0.398  -2.179  1.00  0.00           H  
HETATM   90  H   UNL     1       1.223   1.074  -1.328  1.00  0.00           H  
HETATM   91  H   UNL     1       2.868   1.485  -0.789  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.870   6.489  -1.748  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.992   4.744  -1.420  1.00  0.00           H  
HETATM   94  H   UNL     1       4.286  -5.194   0.432  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.958   5.293   0.839  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.854   6.751  -0.849  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.173   5.351  -1.710  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.675   4.436   0.909  1.00  0.00           H  
HETATM   99  H   UNL     1       2.638  -5.306  -2.213  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.531   4.134  -1.484  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.969   3.285  -1.355  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.851  -0.637  -1.080  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.409  -0.967   0.451  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.334   0.472   1.128  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.103  -3.234   0.198  1.00  0.00           H  
HETATM  106  H   UNL     1       2.486  -6.903   0.404  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.149   1.242  -2.006  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.129  -0.243  -2.039  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.420   0.987  -0.786  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.709   0.980   1.734  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.698   2.444   1.742  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.787   2.123   0.372  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.483  -2.093  -2.112  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.239  -3.703  -2.057  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.255  -2.241  -2.039  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.360  -2.805   1.034  1.00  0.00           H  
HETATM  117  H   UNL     1       0.767  -6.681  -2.166  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.154  -5.006  -0.929  1.00  0.00           H  
HETATM  119  H   UNL     1       0.214  -7.950   0.578  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.969  -4.638   1.242  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.463  -7.573  -1.974  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.109  -6.425  -1.249  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.266  -7.691   0.989  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.346  -6.447   1.275  1.00  0.00           H  
HETATM  125  H   UNL     1      -3.783  -7.221  -1.646  1.00  0.00           H  
HETATM  126  H   UNL     1       1.307  -1.633   4.038  1.00  0.00           H  
HETATM  127  H   UNL     1       1.815  -0.080   3.727  1.00  0.00           H  
HETATM  128  H   UNL     1       4.325   1.506   0.971  1.00  0.00           H  
HETATM  129  H   UNL     1       9.642   2.232   0.422  1.00  0.00           H  
HETATM  130  H   UNL     1       5.259   5.098   0.041  1.00  0.00           H  
HETATM  131  H   UNL     1      10.229  -2.007   0.788  1.00  0.00           H  
HETATM  132  H   UNL     1       2.608   5.102   1.474  1.00  0.00           H  
HETATM  133  H   UNL     1       4.937  -1.017   2.776  1.00  0.00           H  
HETATM  134  H   UNL     1       0.221   1.112   0.361  1.00  0.00           H  
HETATM  135  H   UNL     1       0.488   6.851  -2.402  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.661   7.558   1.110  1.00  0.00           H  
HETATM  137  H   UNL     1      -6.965   5.093   1.154  1.00  0.00           H  
HETATM  138  H   UNL     1      -9.220  -1.870   2.302  1.00  0.00           H  
CONECT    1   49    6   50    5                                       
CONECT    2    7   49    3   66                                       
CONECT    3    2   10    4   67                                       
CONECT    4    3    5   51   68                                       
CONECT    5    1    4   69   70                                       
CONECT    6    8    1   71   72                                       
CONECT    7    9    2   73   74                                       
CONECT    8   11    6   54   75                                       
CONECT    9   19    7   52   76                                       
CONECT   10    3   56   56   55                                       
CONECT   11   13    8   77   78                                       
CONECT   12   53   52   14   79                                       
CONECT   13   18   11   57   80                                       
CONECT   14   12   15   58   81                                       
CONECT   15   16   14   48   82                                       
CONECT   16   17   59   15   83                                       
CONECT   17   21   53   16   84                                       
CONECT   18   20   60   13   85                                       
CONECT   19   23   23    9   86                                       
CONECT   20   22   18   87   88                                       
CONECT   21   17   89   90   91                                       
CONECT   22   24   20   92   93                                       
CONECT   23   27   19   19   94                                       
CONECT   24   25   22   61   95                                       
CONECT   25   26   24   96   97                                       
CONECT   26   28   25   62   98                                       
CONECT   27   33   33   23   99                                       
CONECT   28   34   26  100  101                                       
CONECT   29   35   30   31  102                                       
CONECT   30   64   29   32  103                                       
CONECT   31   36   29   63  104                                       
CONECT   32   30   37   38  105                                       
CONECT   33   39   27   27  106                                       
CONECT   34   63   28   65   65                                       
CONECT   35   29  107  108  109                                       
CONECT   36   31  110  111  112                                       
CONECT   37   32  113  114  115                                       
CONECT   38   32   40   40  116                                       
CONECT   39   41   41   33  117                                       
CONECT   40   38   38   42  118                                       
CONECT   41   43   39   39  119                                       
CONECT   42   40   44   44  120                                       
CONECT   43   45   45   41  121                                       
CONECT   44   42   42   46  122                                       
CONECT   45   47   43   43  123                                       
CONECT   46   44   47   47  124                                       
CONECT   47   46   46   45  125                                       
CONECT   48   15  126  127                                            
CONECT   49    1    2                                                 
CONECT   50    1  128                                                 
CONECT   51    4  129                                                 
CONECT   52    9   12                                                 
CONECT   53   17   12                                                 
CONECT   54    8  130                                                 
CONECT   55   10  131                                                 
CONECT   56   10   10                                                 
CONECT   57   13  132                                                 
CONECT   58   14  133                                                 
CONECT   59   16  134                                                 
CONECT   60   18  135                                                 
CONECT   61   24  136                                                 
CONECT   62   26  137                                                 
CONECT   63   31   34                                                 
CONECT   64   30  138                                                 
CONECT   65   34   34                                                 
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   11                                                      
CONECT   78   11                                                      
CONECT   79   12                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   21                                                      
CONECT   92   22                                                      
CONECT   93   22                                                      
CONECT   94   23                                                      
CONECT   95   24                                                      
CONECT   96   25                                                      
CONECT   97   25                                                      
CONECT   98   26                                                      
CONECT   99   27                                                      
CONECT  100   28                                                      
CONECT  101   28                                                      
CONECT  102   29                                                      
CONECT  103   30                                                      
CONECT  104   31                                                      
CONECT  105   32                                                      
CONECT  106   33                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   36                                                      
CONECT  112   36                                                      
CONECT  113   37                                                      
CONECT  114   37                                                      
CONECT  115   37                                                      
CONECT  116   38                                                      
CONECT  117   39                                                      
CONECT  118   40                                                      
CONECT  119   41                                                      
CONECT  120   42                                                      
CONECT  121   43                                                      
CONECT  122   44                                                      
CONECT  123   45                                                      
CONECT  124   46                                                      
CONECT  125   47                                                      
CONECT  126   48                                                      
CONECT  127   48                                                      
CONECT  128   50                                                      
CONECT  129   51                                                      
CONECT  130   54                                                      
CONECT  131   55                                                      
CONECT  132   57                                                      
CONECT  133   58                                                      
CONECT  134   59                                                      
CONECT  135   60                                                      
CONECT  136   61                                                      
CONECT  137   62                                                      
CONECT  138   64                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
