COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.873   4.479  -1.699  1.00  0.00           C  
HETATM    2  C   UNL     1       2.081   2.965  -1.753  1.00  0.00           C  
HETATM    3  C   UNL     1       3.520   2.633  -1.351  1.00  0.00           C  
HETATM    4  C   UNL     1       3.743   1.123  -1.454  1.00  0.00           C  
HETATM    5  C   UNL     1       5.140   0.777  -0.934  1.00  0.00           C  
HETATM    6  C   UNL     1       5.363  -0.733  -1.037  1.00  0.00           C  
HETATM    7  C   UNL     1       6.760  -1.079  -0.517  1.00  0.00           C  
HETATM    8  C   UNL     1       6.983  -2.589  -0.620  1.00  0.00           C  
HETATM    9  C   UNL     1       8.380  -2.934  -0.100  1.00  0.00           C  
HETATM   10  C   UNL     1       8.603  -4.444  -0.203  1.00  0.00           C  
HETATM   11  C   UNL     1      10.000  -4.790   0.317  1.00  0.00           C  
HETATM   12  C   UNL     1      10.223  -6.300   0.214  1.00  0.00           C  
HETATM   13  C   UNL     1     -15.780  -5.549   0.104  1.00  0.00           C  
HETATM   14  C   UNL     1     -16.709  -6.343   1.024  1.00  0.00           C  
HETATM   15  C   UNL     1     -18.009  -6.663   0.283  1.00  0.00           C  
HETATM   16  C   UNL     1      11.620  -6.646   0.734  1.00  0.00           C  
HETATM   17  C   UNL     1      11.843  -8.156   0.631  1.00  0.00           C  
HETATM   18  C   UNL     1      13.240  -8.502   1.151  1.00  0.00           C  
HETATM   19  C   UNL     1      13.417 -10.021   1.165  1.00  0.00           C  
HETATM   20  C   UNL     1      14.294  -7.873   0.238  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.463   2.304  -2.350  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.103   2.021  -1.227  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.058   1.347  -0.276  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.405   1.135  -0.971  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.334   0.341  -0.051  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.634   0.021  -0.792  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.563  -0.773   0.128  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.863  -1.093  -0.613  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.792  -1.887   0.307  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.092  -2.207  -0.434  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.021  -3.001   0.486  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.321  -3.321  -0.255  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.251  -4.115   0.666  1.00  0.00           C  
HETATM   34  C   UNL     1     -13.550  -4.435  -0.075  1.00  0.00           C  
HETATM   35  C   UNL     1     -14.480  -5.229   0.845  1.00  0.00           C  
HETATM   36  N   UNL     1       1.152   2.310  -0.829  1.00  0.00           N  
HETATM   37  O   UNL     1       2.215   4.960  -0.397  1.00  0.00           O  
HETATM   38  C   UNL     1       2.054   6.371  -0.238  1.00  0.00           C  
HETATM   39  C   UNL     1       2.676   6.810   1.090  1.00  0.00           C  
HETATM   40  O   UNL     1       4.054   6.434   1.120  1.00  0.00           O  
HETATM   41  C   UNL     1       1.934   6.125   2.242  1.00  0.00           C  
HETATM   42  O   UNL     1       2.460   6.583   3.489  1.00  0.00           O  
HETATM   43  C   UNL     1       0.444   6.473   2.154  1.00  0.00           C  
HETATM   44  O   UNL     1       0.273   7.882   2.318  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.091   6.048   0.784  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.563   6.446   0.666  1.00  0.00           C  
HETATM   47  O   UNL     1      -2.094   5.947  -0.564  1.00  0.00           O  
HETATM   48  O   UNL     1       0.663   6.696  -0.242  1.00  0.00           O  
HETATM   49  O   UNL     1       4.427   3.309  -2.224  1.00  0.00           O  
HETATM   50  O   UNL     1      -2.994   2.403  -1.265  1.00  0.00           O  
HETATM   51  H   UNL     1       2.507   4.961  -2.442  1.00  0.00           H  
HETATM   52  H   UNL     1       0.828   4.710  -1.908  1.00  0.00           H  
HETATM   53  H   UNL     1       1.896   2.609  -2.767  1.00  0.00           H  
HETATM   54  H   UNL     1       3.694   2.957  -0.325  1.00  0.00           H  
HETATM   55  H   UNL     1       2.994   0.603  -0.857  1.00  0.00           H  
HETATM   56  H   UNL     1       3.656   0.813  -2.496  1.00  0.00           H  
HETATM   57  H   UNL     1       5.889   1.297  -1.531  1.00  0.00           H  
HETATM   58  H   UNL     1       5.227   1.087   0.107  1.00  0.00           H  
HETATM   59  H   UNL     1       4.614  -1.253  -0.440  1.00  0.00           H  
HETATM   60  H   UNL     1       5.276  -1.043  -2.079  1.00  0.00           H  
HETATM   61  H   UNL     1       7.509  -0.559  -1.114  1.00  0.00           H  
HETATM   62  H   UNL     1       6.847  -0.769   0.525  1.00  0.00           H  
HETATM   63  H   UNL     1       6.234  -3.108  -0.023  1.00  0.00           H  
HETATM   64  H   UNL     1       6.897  -2.898  -1.662  1.00  0.00           H  
HETATM   65  H   UNL     1       9.129  -2.414  -0.697  1.00  0.00           H  
HETATM   66  H   UNL     1       8.467  -2.625   0.942  1.00  0.00           H  
HETATM   67  H   UNL     1       7.854  -4.964   0.394  1.00  0.00           H  
HETATM   68  H   UNL     1       8.517  -4.754  -1.245  1.00  0.00           H  
HETATM   69  H   UNL     1      10.749  -4.270  -0.280  1.00  0.00           H  
HETATM   70  H   UNL     1      10.087  -4.480   1.359  1.00  0.00           H  
HETATM   71  H   UNL     1       9.474  -6.820   0.811  1.00  0.00           H  
HETATM   72  H   UNL     1      10.137  -6.610  -0.827  1.00  0.00           H  
HETATM   73  H   UNL     1     -15.556  -6.140  -0.784  1.00  0.00           H  
HETATM   74  H   UNL     1     -16.268  -4.620  -0.192  1.00  0.00           H  
HETATM   75  H   UNL     1     -16.221  -7.272   1.319  1.00  0.00           H  
HETATM   76  H   UNL     1     -16.933  -5.752   1.912  1.00  0.00           H  
HETATM   77  H   UNL     1     -17.785  -7.254  -0.605  1.00  0.00           H  
HETATM   78  H   UNL     1     -18.671  -7.228   0.938  1.00  0.00           H  
HETATM   79  H   UNL     1     -18.497  -5.734  -0.012  1.00  0.00           H  
HETATM   80  H   UNL     1      12.369  -6.126   0.137  1.00  0.00           H  
HETATM   81  H   UNL     1      11.707  -6.336   1.776  1.00  0.00           H  
HETATM   82  H   UNL     1      11.094  -8.676   1.228  1.00  0.00           H  
HETATM   83  H   UNL     1      11.757  -8.466  -0.410  1.00  0.00           H  
HETATM   84  H   UNL     1      13.357  -8.113   2.163  1.00  0.00           H  
HETATM   85  H   UNL     1      13.300 -10.410   0.153  1.00  0.00           H  
HETATM   86  H   UNL     1      14.413 -10.267   1.536  1.00  0.00           H  
HETATM   87  H   UNL     1      12.666 -10.469   1.816  1.00  0.00           H  
HETATM   88  H   UNL     1      14.168  -6.791   0.228  1.00  0.00           H  
HETATM   89  H   UNL     1      15.289  -8.119   0.609  1.00  0.00           H  
HETATM   90  H   UNL     1      14.177  -8.262  -0.774  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.650   0.383   0.027  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.199   1.975   0.604  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.252   0.582  -1.898  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.846  -0.588   0.244  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.558   0.932   0.837  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.122   0.950  -1.087  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.410  -0.570  -1.680  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.075  -1.702   0.424  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.787  -0.182   1.016  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.351  -0.164  -0.908  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.639  -1.684  -1.501  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.304  -2.816   0.603  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.016  -1.296   1.195  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.580  -1.278  -0.729  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.868  -2.798  -1.322  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.534  -3.930   0.782  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.245  -2.410   1.375  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.809  -2.392  -0.550  1.00  0.00           H  
HETATM  109  H   UNL     1     -11.097  -3.912  -1.143  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.763  -5.044   0.961  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.475  -3.524   1.554  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.038  -3.506  -0.371  1.00  0.00           H  
HETATM  113  H   UNL     1     -13.326  -5.026  -0.963  1.00  0.00           H  
HETATM  114  H   UNL     1     -14.704  -4.638   1.733  1.00  0.00           H  
HETATM  115  H   UNL     1     -13.992  -6.158   1.140  1.00  0.00           H  
HETATM  116  H   UNL     1       1.441   2.084   0.069  1.00  0.00           H  
HETATM  117  H   UNL     1       2.550   6.888  -1.060  1.00  0.00           H  
HETATM  118  H   UNL     1       2.590   7.891   1.194  1.00  0.00           H  
HETATM  119  H   UNL     1       4.585   6.832   0.417  1.00  0.00           H  
HETATM  120  H   UNL     1       2.061   5.045   2.167  1.00  0.00           H  
HETATM  121  H   UNL     1       3.402   6.400   3.609  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.100   5.945   2.938  1.00  0.00           H  
HETATM  123  H   UNL     1       0.595   8.222   3.164  1.00  0.00           H  
HETATM  124  H   UNL     1       0.004   4.967   0.677  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.122   6.024   1.501  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.648   7.532   0.684  1.00  0.00           H  
HETATM  127  H   UNL     1      -3.026   6.163  -0.706  1.00  0.00           H  
HETATM  128  H   UNL     1       4.280   3.126  -3.162  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.159   2.950  -0.484  1.00  0.00           H  
CONECT    1   37    2   51   52                                       
CONECT    2    1   36    3   53                                       
CONECT    3   49    2    4   54                                       
CONECT    4    3    5   55   56                                       
CONECT    5    4    6   57   58                                       
CONECT    6    5    7   59   60                                       
CONECT    7    6    8   61   62                                       
CONECT    8    7    9   63   64                                       
CONECT    9    8   10   65   66                                       
CONECT   10    9   11   67   68                                       
CONECT   11   10   12   69   70                                       
CONECT   12   11   16   71   72                                       
CONECT   13   35   14   73   74                                       
CONECT   14   13   15   75   76                                       
CONECT   15   14   77   78   79                                       
CONECT   16   17   12   80   81                                       
CONECT   17   16   18   82   83                                       
CONECT   18   19   17   20   84                                       
CONECT   19   18   85   86   87                                       
CONECT   20   18   88   89   90                                       
CONECT   21   22   22                                                 
CONECT   22   36   23   21   21                                       
CONECT   23   22   24   91   92                                       
CONECT   24   23   50   25   93                                       
CONECT   25   24   26   94   95                                       
CONECT   26   25   27   96   97                                       
CONECT   27   26   28   98   99                                       
CONECT   28   27   29  100  101                                       
CONECT   29   28   30  102  103                                       
CONECT   30   29   31  104  105                                       
CONECT   31   30   32  106  107                                       
CONECT   32   31   33  108  109                                       
CONECT   33   32   34  110  111                                       
CONECT   34   33   35  112  113                                       
CONECT   35   13   34  114  115                                       
CONECT   36    2   22  116                                            
CONECT   37   38    1                                                 
CONECT   38   39   48   37  117                                       
CONECT   39   40   41   38  118                                       
CONECT   40   39  119                                                 
CONECT   41   42   43   39  120                                       
CONECT   42   41  121                                                 
CONECT   43   44   41   45  122                                       
CONECT   44   43  123                                                 
CONECT   45   43   48   46  124                                       
CONECT   46   45   47  125  126                                       
CONECT   47   46  127                                                 
CONECT   48   38   45                                                 
CONECT   49    3  128                                                 
CONECT   50   24  129                                                 
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   19                                                      
CONECT   86   19                                                      
CONECT   87   19                                                      
CONECT   88   20                                                      
CONECT   89   20                                                      
CONECT   90   20                                                      
CONECT   91   23                                                      
CONECT   92   23                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   25                                                      
CONECT   96   26                                                      
CONECT   97   26                                                      
CONECT   98   27                                                      
CONECT   99   27                                                      
CONECT  100   28                                                      
CONECT  101   28                                                      
CONECT  102   29                                                      
CONECT  103   29                                                      
CONECT  104   30                                                      
CONECT  105   30                                                      
CONECT  106   31                                                      
CONECT  107   31                                                      
CONECT  108   32                                                      
CONECT  109   32                                                      
CONECT  110   33                                                      
CONECT  111   33                                                      
CONECT  112   34                                                      
CONECT  113   34                                                      
CONECT  114   35                                                      
CONECT  115   35                                                      
CONECT  116   36                                                      
CONECT  117   38                                                      
CONECT  118   39                                                      
CONECT  119   40                                                      
CONECT  120   41                                                      
CONECT  121   42                                                      
CONECT  122   43                                                      
CONECT  123   44                                                      
CONECT  124   45                                                      
CONECT  125   46                                                      
CONECT  126   46                                                      
CONECT  127   47                                                      
CONECT  128   49                                                      
CONECT  129   50                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
