COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.718  -1.293   1.394  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.059  -0.351   0.268  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.214  -0.110   0.011  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.233   2.516   0.619  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.425   2.007   1.785  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.089   1.459   1.278  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.690   0.238   2.110  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.261  -0.896   1.177  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.366  -1.953   1.116  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.386  -2.590  -0.274  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.346  -3.782  -0.277  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.484  -3.506  -1.226  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.417  -2.415  -0.946  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.418  -2.158  -1.791  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.375  -1.030  -1.499  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.951   0.384  -1.901  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.403   1.544  -1.012  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.222   2.484  -0.762  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.744   3.886  -0.444  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.898  -3.995   1.134  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.793   3.396  -0.082  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.626  -4.187  -2.219  1.00  0.00           O  
HETATM   23  O   UNL     1      -8.955  -0.344  -2.610  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.441   1.993   0.360  1.00  0.00           O  
HETATM   25  C   UNL     1       0.028  -0.778   1.081  1.00  0.00           C  
HETATM   26  C   UNL     1       1.347  -1.284   1.670  1.00  0.00           C  
HETATM   27  C   UNL     1       2.505  -0.489   1.056  1.00  0.00           C  
HETATM   28  C   UNL     1       2.400  -0.571  -0.471  1.00  0.00           C  
HETATM   29  C   UNL     1       1.001  -0.121  -0.899  1.00  0.00           C  
HETATM   30  C   UNL     1       0.898  -0.168  -2.425  1.00  0.00           C  
HETATM   31  C   UNL     1       3.970  -0.662   2.895  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.060  -1.491   1.672  1.00  0.00           O  
HETATM   33  O   UNL     1       1.340  -1.100   3.087  1.00  0.00           O  
HETATM   34  N   UNL     1       3.786  -1.061   1.493  1.00  0.00           N  
HETATM   35  O   UNL     1       0.020  -0.985  -0.330  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.604   0.583   2.972  1.00  0.00           O  
HETATM   37  C   UNL     1       3.947  -0.442  -2.160  1.00  0.00           C  
HETATM   38  C   UNL     1       4.676   0.530  -3.090  1.00  0.00           C  
HETATM   39  C   UNL     1       5.769   1.255  -2.296  1.00  0.00           C  
HETATM   40  C   UNL     1       6.660   0.208  -1.619  1.00  0.00           C  
HETATM   41  C   UNL     1       5.780  -0.740  -0.800  1.00  0.00           C  
HETATM   42  C   UNL     1       6.663  -1.771  -0.094  1.00  0.00           C  
HETATM   43  C   UNL     1       6.612   2.109  -3.246  1.00  0.00           C  
HETATM   44  O   UNL     1       3.380   0.281  -1.066  1.00  0.00           O  
HETATM   45  O   UNL     1       5.168   2.091  -1.306  1.00  0.00           O  
HETATM   46  O   UNL     1       7.609   0.871  -0.742  1.00  0.00           O  
HETATM   47  O   UNL     1       4.865  -1.413  -1.662  1.00  0.00           O  
HETATM   48  C   UNL     1       8.814   0.322  -0.520  1.00  0.00           C  
HETATM   49  C   UNL     1       9.799   1.010   0.390  1.00  0.00           C  
HETATM   50  C   UNL     1      11.082   0.182   0.471  1.00  0.00           C  
HETATM   51  C   UNL     1      12.127   0.940   1.293  1.00  0.00           C  
HETATM   52  C   UNL     1      10.782  -1.160   1.141  1.00  0.00           C  
HETATM   53  O   UNL     1       9.108  -0.723  -1.049  1.00  0.00           O  
HETATM   54  C   UNL     1      -1.846   3.337   0.390  1.00  0.00           C  
HETATM   55  C   UNL     1      -0.786   4.400   0.519  1.00  0.00           C  
HETATM   56  C   UNL     1      -2.178   1.054   4.192  1.00  0.00           C  
HETATM   57  O   UNL     1      -2.068   2.484   1.403  1.00  0.00           O  
HETATM   58  O   UNL     1      -2.496   3.251  -0.625  1.00  0.00           O  
HETATM   59  C   UNL     1       3.620  -2.520   1.487  1.00  0.00           C  
HETATM   60  H   UNL     1      -5.488  -2.061   1.471  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.666  -0.736   2.330  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.270   0.108  -0.310  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.976   1.212   2.289  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.242   2.822   2.484  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.188   1.170   0.232  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.541  -0.086   2.709  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.084  -0.497   0.178  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.176  -2.721   1.866  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.383  -2.931  -0.532  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.719  -1.854  -1.007  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.813  -4.677  -0.598  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.297  -1.817  -0.055  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.543  -2.755  -2.681  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.979  -1.143  -0.599  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.979   0.505  -2.379  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.765   1.154  -0.061  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.204   2.092  -1.509  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.593   2.523  -1.651  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.903   4.556  -0.266  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.330   4.255  -1.286  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.372   3.847   0.446  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.135  -5.050   1.276  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.151  -3.690   1.867  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.801  -3.399   1.265  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.078   0.286   1.292  1.00  0.00           H  
HETATM   86  H   UNL     1       1.469  -2.342   1.440  1.00  0.00           H  
HETATM   87  H   UNL     1       2.443   0.553   1.371  1.00  0.00           H  
HETATM   88  H   UNL     1       2.566  -1.599  -0.793  1.00  0.00           H  
HETATM   89  H   UNL     1       0.828   0.899  -0.556  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.125   0.055  -2.727  1.00  0.00           H  
HETATM   91  H   UNL     1       1.574   0.569  -2.858  1.00  0.00           H  
HETATM   92  H   UNL     1       1.172  -1.163  -2.777  1.00  0.00           H  
HETATM   93  H   UNL     1       4.989  -0.891   3.207  1.00  0.00           H  
HETATM   94  H   UNL     1       3.792   0.409   2.995  1.00  0.00           H  
HETATM   95  H   UNL     1       3.266  -1.208   3.523  1.00  0.00           H  
HETATM   96  H   UNL     1       0.598  -1.616   3.432  1.00  0.00           H  
HETATM   97  H   UNL     1       3.153  -0.945  -2.713  1.00  0.00           H  
HETATM   98  H   UNL     1       5.129  -0.022  -3.913  1.00  0.00           H  
HETATM   99  H   UNL     1       3.968   1.259  -3.484  1.00  0.00           H  
HETATM  100  H   UNL     1       7.199  -0.359  -2.378  1.00  0.00           H  
HETATM  101  H   UNL     1       5.225  -0.168  -0.057  1.00  0.00           H  
HETATM  102  H   UNL     1       7.361  -1.258   0.569  1.00  0.00           H  
HETATM  103  H   UNL     1       6.038  -2.446   0.490  1.00  0.00           H  
HETATM  104  H   UNL     1       7.221  -2.341  -0.836  1.00  0.00           H  
HETATM  105  H   UNL     1       5.974   2.844  -3.737  1.00  0.00           H  
HETATM  106  H   UNL     1       7.388   2.624  -2.679  1.00  0.00           H  
HETATM  107  H   UNL     1       7.075   1.469  -3.997  1.00  0.00           H  
HETATM  108  H   UNL     1       4.609   2.725  -1.776  1.00  0.00           H  
HETATM  109  H   UNL     1      10.029   2.000  -0.006  1.00  0.00           H  
HETATM  110  H   UNL     1       9.366   1.109   1.385  1.00  0.00           H  
HETATM  111  H   UNL     1      11.467   0.008  -0.534  1.00  0.00           H  
HETATM  112  H   UNL     1      11.743   1.114   2.298  1.00  0.00           H  
HETATM  113  H   UNL     1      13.042   0.350   1.350  1.00  0.00           H  
HETATM  114  H   UNL     1      12.341   1.896   0.815  1.00  0.00           H  
HETATM  115  H   UNL     1      10.397  -0.986   2.146  1.00  0.00           H  
HETATM  116  H   UNL     1      10.038  -1.700   0.556  1.00  0.00           H  
HETATM  117  H   UNL     1      11.697  -1.750   1.199  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.310   4.322   1.496  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.038   4.264  -0.262  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.244   5.384   0.416  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.383   1.331   4.885  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.802   1.925   3.988  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.788   0.267   4.635  1.00  0.00           H  
HETATM  124  H   UNL     1       3.233  -2.838   0.520  1.00  0.00           H  
HETATM  125  H   UNL     1       4.585  -2.996   1.667  1.00  0.00           H  
HETATM  126  H   UNL     1       2.921  -2.810   2.272  1.00  0.00           H  
CONECT    1    2    9   60   61                                       
CONECT    2    1    3    3   62                                       
CONECT    3    2    2                                                 
CONECT    4    5   21   21   24                                       
CONECT    5    4    6   63   64                                       
CONECT    6    5    7   57   65                                       
CONECT    7    6    8   36   66                                       
CONECT    8    7    9   32   67                                       
CONECT    9    1    8   10   68                                       
CONECT   10    9   11   69   70                                       
CONECT   11   10   12   20   71                                       
CONECT   12   11   13   22   22                                       
CONECT   13   12   14   14   72                                       
CONECT   14   13   13   15   73                                       
CONECT   15   14   16   23   74                                       
CONECT   16   15   17   23   75                                       
CONECT   17   16   18   76   77                                       
CONECT   18   17   19   24   78                                       
CONECT   19   18   79   80   81                                       
CONECT   20   11   82   83   84                                       
CONECT   21    4    4                                                 
CONECT   22   12   12                                                 
CONECT   23   15   16                                                 
CONECT   24    4   18                                                 
CONECT   25   26   32   35   85                                       
CONECT   26   25   27   33   86                                       
CONECT   27   26   28   34   87                                       
CONECT   28   27   29   44   88                                       
CONECT   29   28   30   35   89                                       
CONECT   30   29   90   91   92                                       
CONECT   31   34   93   94   95                                       
CONECT   32    8   25                                                 
CONECT   33   26   96                                                 
CONECT   34   27   31   59                                            
CONECT   35   25   29                                                 
CONECT   36    7   56                                                 
CONECT   37   38   44   47   97                                       
CONECT   38   37   39   98   99                                       
CONECT   39   38   40   43   45                                       
CONECT   40   39   41   46  100                                       
CONECT   41   40   42   47  101                                       
CONECT   42   41  102  103  104                                       
CONECT   43   39  105  106  107                                       
CONECT   44   28   37                                                 
CONECT   45   39  108                                                 
CONECT   46   40   48                                                 
CONECT   47   37   41                                                 
CONECT   48   46   49   53   53                                       
CONECT   49   48   50  109  110                                       
CONECT   50   49   51   52  111                                       
CONECT   51   50  112  113  114                                       
CONECT   52   50  115  116  117                                       
CONECT   53   48   48                                                 
CONECT   54   55   57   58   58                                       
CONECT   55   54  118  119  120                                       
CONECT   56   36  121  122  123                                       
CONECT   57    6   54                                                 
CONECT   58   54   54                                                 
CONECT   59   34  124  125  126                                       
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   19                                                      
CONECT   82   20                                                      
CONECT   83   20                                                      
CONECT   84   20                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   33                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   43                                                      
CONECT  108   45                                                      
CONECT  109   49                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
CONECT  113   51                                                      
CONECT  114   51                                                      
CONECT  115   52                                                      
CONECT  116   52                                                      
CONECT  117   52                                                      
CONECT  118   55                                                      
CONECT  119   55                                                      
CONECT  120   55                                                      
CONECT  121   56                                                      
CONECT  122   56                                                      
CONECT  123   56                                                      
CONECT  124   59                                                      
CONECT  125   59                                                      
CONECT  126   59                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
