COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      20.352   1.835  -1.219  1.00  0.00           C  
HETATM    2  C   UNL     1      18.862   1.622  -1.144  1.00  0.00           C  
HETATM    3  C   UNL     1      18.114   1.104  -2.345  1.00  0.00           C  
HETATM    4  C   UNL     1      18.217   1.887  -0.034  1.00  0.00           C  
HETATM    5  C   UNL     1      16.727   1.673   0.041  1.00  0.00           C  
HETATM    6  C   UNL     1      16.403   0.753   1.219  1.00  0.00           C  
HETATM    7  C   UNL     1      14.913   0.540   1.294  1.00  0.00           C  
HETATM    8  C   UNL     1      14.045   1.536   2.019  1.00  0.00           C  
HETATM    9  C   UNL     1      14.372  -0.511   0.729  1.00  0.00           C  
HETATM   10  C   UNL     1      12.873  -0.659   0.691  1.00  0.00           C  
HETATM   11  C   UNL     1      12.415  -0.843  -0.757  1.00  0.00           C  
HETATM   12  C   UNL     1      10.916  -0.991  -0.795  1.00  0.00           C  
HETATM   13  C   UNL     1      10.286  -2.342  -0.576  1.00  0.00           C  
HETATM   14  C   UNL     1      10.160   0.056  -1.018  1.00  0.00           C  
HETATM   15  C   UNL     1       8.661  -0.065  -0.928  1.00  0.00           C  
HETATM   16  C   UNL     1       8.125   0.965   0.069  1.00  0.00           C  
HETATM   17  C   UNL     1       6.626   0.844   0.159  1.00  0.00           C  
HETATM   18  C   UNL     1       5.751   1.565  -0.834  1.00  0.00           C  
HETATM   19  C   UNL     1       6.083   0.113   1.101  1.00  0.00           C  
HETATM   20  C   UNL     1       4.591  -0.101   1.123  1.00  0.00           C  
HETATM   21  C   UNL     1       4.291  -1.601   1.115  1.00  0.00           C  
HETATM   22  C   UNL     1       2.799  -1.814   1.138  1.00  0.00           C  
HETATM   23  C   UNL     1       2.058  -1.820   2.450  1.00  0.00           C  
HETATM   24  C   UNL     1       2.146  -1.995   0.016  1.00  0.00           C  
HETATM   25  C   UNL     1       0.643  -2.096   0.028  1.00  0.00           C  
HETATM   26  C   UNL     1       0.052  -1.006  -0.868  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.452  -1.107  -0.857  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.150  -2.056  -1.796  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.152  -0.370  -0.031  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.657  -0.375  -0.106  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.234  -0.816   1.240  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.739  -0.821   1.165  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.510   0.450   1.414  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.377  -1.930   0.883  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.870  -1.909   0.679  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.206  -2.503  -0.690  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.699  -2.483  -0.893  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.548  -3.607  -0.358  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.259  -1.488  -1.536  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.761  -1.395  -1.620  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.216  -0.075  -1.054  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.425   0.965  -1.869  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.205   0.814  -3.352  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.872   2.262  -1.318  1.00  0.00           C  
HETATM   45  O   UNL     1     -13.062   3.205  -2.060  1.00  0.00           O  
HETATM   46  C   UNL     1     -13.088   2.412   0.134  1.00  0.00           C  
HETATM   47  O   UNL     1     -13.499   3.602   0.642  1.00  0.00           O  
HETATM   48  C   UNL     1     -14.811   4.041   0.285  1.00  0.00           C  
HETATM   49  C   UNL     1     -12.877   1.360   0.959  1.00  0.00           C  
HETATM   50  O   UNL     1     -13.075   1.493   2.295  1.00  0.00           O  
HETATM   51  C   UNL     1     -11.922   1.399   3.135  1.00  0.00           C  
HETATM   52  C   UNL     1     -12.436   0.066   0.402  1.00  0.00           C  
HETATM   53  O   UNL     1     -12.246  -0.880   1.140  1.00  0.00           O  
HETATM   54  H   UNL     1      20.557   2.851  -1.557  1.00  0.00           H  
HETATM   55  H   UNL     1      20.791   1.685  -0.232  1.00  0.00           H  
HETATM   56  H   UNL     1      20.786   1.124  -1.921  1.00  0.00           H  
HETATM   57  H   UNL     1      18.812   0.943  -3.166  1.00  0.00           H  
HETATM   58  H   UNL     1      17.627   0.162  -2.091  1.00  0.00           H  
HETATM   59  H   UNL     1      17.360   1.832  -2.645  1.00  0.00           H  
HETATM   60  H   UNL     1      18.754   2.258   0.826  1.00  0.00           H  
HETATM   61  H   UNL     1      16.230   2.633   0.181  1.00  0.00           H  
HETATM   62  H   UNL     1      16.379   1.215  -0.885  1.00  0.00           H  
HETATM   63  H   UNL     1      16.900  -0.206   1.079  1.00  0.00           H  
HETATM   64  H   UNL     1      16.751   1.212   2.145  1.00  0.00           H  
HETATM   65  H   UNL     1      14.674   2.287   2.496  1.00  0.00           H  
HETATM   66  H   UNL     1      13.376   2.021   1.308  1.00  0.00           H  
HETATM   67  H   UNL     1      13.456   1.020   2.778  1.00  0.00           H  
HETATM   68  H   UNL     1      15.001  -1.272   0.290  1.00  0.00           H  
HETATM   69  H   UNL     1      12.579  -1.528   1.278  1.00  0.00           H  
HETATM   70  H   UNL     1      12.409   0.235   1.108  1.00  0.00           H  
HETATM   71  H   UNL     1      12.710   0.027  -1.345  1.00  0.00           H  
HETATM   72  H   UNL     1      12.879  -1.737  -1.174  1.00  0.00           H  
HETATM   73  H   UNL     1      11.067  -3.098  -0.497  1.00  0.00           H  
HETATM   74  H   UNL     1       9.701  -2.326   0.343  1.00  0.00           H  
HETATM   75  H   UNL     1       9.635  -2.580  -1.417  1.00  0.00           H  
HETATM   76  H   UNL     1      10.612   1.005  -1.267  1.00  0.00           H  
HETATM   77  H   UNL     1       8.222   0.117  -1.909  1.00  0.00           H  
HETATM   78  H   UNL     1       8.396  -1.068  -0.592  1.00  0.00           H  
HETATM   79  H   UNL     1       8.564   0.783   1.050  1.00  0.00           H  
HETATM   80  H   UNL     1       8.390   1.967  -0.267  1.00  0.00           H  
HETATM   81  H   UNL     1       6.376   2.062  -1.575  1.00  0.00           H  
HETATM   82  H   UNL     1       5.098   0.847  -1.331  1.00  0.00           H  
HETATM   83  H   UNL     1       5.145   2.306  -0.313  1.00  0.00           H  
HETATM   84  H   UNL     1       6.704  -0.337   1.861  1.00  0.00           H  
HETATM   85  H   UNL     1       4.174   0.349   2.024  1.00  0.00           H  
HETATM   86  H   UNL     1       4.144   0.364   0.244  1.00  0.00           H  
HETATM   87  H   UNL     1       4.708  -2.050   0.214  1.00  0.00           H  
HETATM   88  H   UNL     1       4.738  -2.066   1.994  1.00  0.00           H  
HETATM   89  H   UNL     1       2.750  -1.585   3.259  1.00  0.00           H  
HETATM   90  H   UNL     1       1.265  -1.073   2.423  1.00  0.00           H  
HETATM   91  H   UNL     1       1.624  -2.805   2.618  1.00  0.00           H  
HETATM   92  H   UNL     1       2.686  -2.072  -0.916  1.00  0.00           H  
HETATM   93  H   UNL     1       0.342  -3.076  -0.344  1.00  0.00           H  
HETATM   94  H   UNL     1       0.278  -1.967   1.047  1.00  0.00           H  
HETATM   95  H   UNL     1       0.353  -0.027  -0.496  1.00  0.00           H  
HETATM   96  H   UNL     1       0.417  -1.136  -1.887  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.408  -2.642  -2.340  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.794  -2.726  -1.225  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.754  -1.488  -2.504  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.650   0.241   0.705  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.012   0.628  -0.343  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.979  -1.068  -0.884  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.878  -1.819   1.477  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.911  -0.123   2.018  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.822   1.238   1.719  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.023   0.748   0.500  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.243   0.281   2.203  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.832  -2.859   0.796  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.351  -2.499   1.459  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.229  -0.881   0.728  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.725  -1.913  -1.470  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.847  -3.531  -0.738  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.904  -4.380   0.062  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.211  -3.224   0.418  1.00  0.00           H  
HETATM  115  H   UNL     1     -11.143  -4.030  -1.168  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.644  -0.733  -2.004  1.00  0.00           H  
HETATM  117  H   UNL     1     -12.071  -1.470  -2.663  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.208  -2.210  -1.050  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.131   0.490  -3.826  1.00  0.00           H  
HETATM  120  H   UNL     1     -11.897   1.772  -3.773  1.00  0.00           H  
HETATM  121  H   UNL     1     -11.427   0.072  -3.531  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.903   4.066  -0.801  1.00  0.00           H  
HETATM  123  H   UNL     1     -15.550   3.353   0.696  1.00  0.00           H  
HETATM  124  H   UNL     1     -14.982   5.040   0.687  1.00  0.00           H  
HETATM  125  H   UNL     1     -11.172   2.119   2.804  1.00  0.00           H  
HETATM  126  H   UNL     1     -12.204   1.615   4.165  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.509   0.392   3.074  1.00  0.00           H  
CONECT    1    2   54   55   56                                       
CONECT    2    1    4    4    3                                       
CONECT    3    2   57   58   59                                       
CONECT    4    2    2    5   60                                       
CONECT    5    4    6   61   62                                       
CONECT    6    5    7   63   64                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   65   66   67                                       
CONECT    9    7    7   10   68                                       
CONECT   10    9   11   69   70                                       
CONECT   11   10   12   71   72                                       
CONECT   12   11   14   14   13                                       
CONECT   13   12   73   74   75                                       
CONECT   14   12   12   15   76                                       
CONECT   15   14   16   77   78                                       
CONECT   16   15   17   79   80                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17   81   82   83                                       
CONECT   19   17   17   20   84                                       
CONECT   20   19   21   85   86                                       
CONECT   21   20   22   87   88                                       
CONECT   22   21   24   24   23                                       
CONECT   23   22   89   90   91                                       
CONECT   24   22   22   25   92                                       
CONECT   25   24   26   93   94                                       
CONECT   26   25   27   95   96                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27   97   98   99                                       
CONECT   29   27   27   30  100                                       
CONECT   30   29   31  101  102                                       
CONECT   31   30   32  103  104                                       
CONECT   32   31   34   34   33                                       
CONECT   33   32  105  106  107                                       
CONECT   34   32   32   35  108                                       
CONECT   35   34   36  109  110                                       
CONECT   36   35   37  111  112                                       
CONECT   37   36   39   39   38                                       
CONECT   38   37  113  114  115                                       
CONECT   39   37   37   40  116                                       
CONECT   40   39   41  117  118                                       
CONECT   41   40   42   42   52                                       
CONECT   42   41   41   44   43                                       
CONECT   43   42  119  120  121                                       
CONECT   44   42   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   49   49                                       
CONECT   47   46   48                                                 
CONECT   48   47  122  123  124                                       
CONECT   49   46   46   50   52                                       
CONECT   50   49   51                                                 
CONECT   51   50  125  126  127                                       
CONECT   52   41   49   53   53                                       
CONECT   53   52   52                                                 
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   23                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   28                                                      
CONECT   98   28                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   30                                                      
CONECT  103   31                                                      
CONECT  104   31                                                      
CONECT  105   33                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   35                                                      
CONECT  110   35                                                      
CONECT  111   36                                                      
CONECT  112   36                                                      
CONECT  113   38                                                      
CONECT  114   38                                                      
CONECT  115   38                                                      
CONECT  116   39                                                      
CONECT  117   40                                                      
CONECT  118   40                                                      
CONECT  119   43                                                      
CONECT  120   43                                                      
CONECT  121   43                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   51                                                      
CONECT  126   51                                                      
CONECT  127   51                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
