COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.298   4.490   2.389  1.00  0.00           C  
HETATM    2  C   UNL     1      13.043   3.311   1.487  1.00  0.00           C  
HETATM    3  C   UNL     1      14.005   2.151   1.472  1.00  0.00           C  
HETATM    4  C   UNL     1      11.984   3.294   0.715  1.00  0.00           C  
HETATM    5  C   UNL     1      11.022   4.453   0.730  1.00  0.00           C  
HETATM    6  C   UNL     1      10.848   4.990  -0.692  1.00  0.00           C  
HETATM    7  C   UNL     1       9.885   6.150  -0.677  1.00  0.00           C  
HETATM    8  C   UNL     1      10.382   7.537  -0.358  1.00  0.00           C  
HETATM    9  C   UNL     1       8.618   5.952  -0.941  1.00  0.00           C  
HETATM   10  C   UNL     1       8.092   4.550  -1.107  1.00  0.00           C  
HETATM   11  C   UNL     1       6.905   4.335  -0.166  1.00  0.00           C  
HETATM   12  C   UNL     1       6.379   2.932  -0.333  1.00  0.00           C  
HETATM   13  C   UNL     1       5.385   2.625  -1.423  1.00  0.00           C  
HETATM   14  C   UNL     1       6.787   1.980   0.470  1.00  0.00           C  
HETATM   15  C   UNL     1       6.169   0.609   0.386  1.00  0.00           C  
HETATM   16  C   UNL     1       7.266  -0.432   0.156  1.00  0.00           C  
HETATM   17  C   UNL     1       6.648  -1.804   0.073  1.00  0.00           C  
HETATM   18  C   UNL     1       6.373  -2.584   1.332  1.00  0.00           C  
HETATM   19  C   UNL     1       6.350  -2.318  -1.095  1.00  0.00           C  
HETATM   20  C   UNL     1       5.628  -3.639  -1.174  1.00  0.00           C  
HETATM   21  C   UNL     1       4.349  -3.472  -1.997  1.00  0.00           C  
HETATM   22  C   UNL     1       3.627  -4.792  -2.076  1.00  0.00           C  
HETATM   23  C   UNL     1       4.005  -5.795  -3.136  1.00  0.00           C  
HETATM   24  C   UNL     1       2.671  -5.068  -1.225  1.00  0.00           C  
HETATM   25  C   UNL     1       2.026  -6.430  -1.231  1.00  0.00           C  
HETATM   26  C   UNL     1       2.178  -7.073   0.149  1.00  0.00           C  
HETATM   27  C   UNL     1       1.533  -8.435   0.142  1.00  0.00           C  
HETATM   28  C   UNL     1       2.326  -9.642  -0.288  1.00  0.00           C  
HETATM   29  C   UNL     1       0.284  -8.569   0.511  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.550  -7.350   0.806  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.844  -7.407  -0.009  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.678  -6.187   0.286  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.600  -6.175   1.477  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.601  -5.137  -0.494  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.526  -3.967  -0.275  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.700  -2.693  -0.085  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.625  -1.523   0.134  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.210  -0.794  -1.048  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.919  -1.140   1.351  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.941  -0.054   1.573  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.062  -0.586   2.468  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.084   0.500   2.690  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.883   1.511   3.789  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.148   0.564   1.927  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.213   1.592   2.206  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.464   2.406   0.962  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.457   2.067   0.131  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.323   0.873   0.442  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.707   2.862  -1.090  1.00  0.00           C  
HETATM   50  O   UNL     1     -11.610   2.553  -1.842  1.00  0.00           O  
HETATM   51  C   UNL     1      -9.860   4.031  -1.396  1.00  0.00           C  
HETATM   52  O   UNL     1     -10.088   4.762  -2.517  1.00  0.00           O  
HETATM   53  C   UNL     1     -11.312   5.498  -2.573  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.855   4.373  -0.557  1.00  0.00           C  
HETATM   55  O   UNL     1      -8.074   5.448  -0.833  1.00  0.00           O  
HETATM   56  C   UNL     1      -6.704   5.191  -1.146  1.00  0.00           C  
HETATM   57  C   UNL     1      -8.615   3.580   0.664  1.00  0.00           C  
HETATM   58  O   UNL     1      -7.717   3.888   1.422  1.00  0.00           O  
HETATM   59  H   UNL     1      14.218   4.326   2.951  1.00  0.00           H  
HETATM   60  H   UNL     1      13.396   5.394   1.788  1.00  0.00           H  
HETATM   61  H   UNL     1      12.465   4.604   3.083  1.00  0.00           H  
HETATM   62  H   UNL     1      13.699   1.416   2.216  1.00  0.00           H  
HETATM   63  H   UNL     1      14.003   1.691   0.484  1.00  0.00           H  
HETATM   64  H   UNL     1      15.008   2.508   1.705  1.00  0.00           H  
HETATM   65  H   UNL     1      11.801   2.448   0.068  1.00  0.00           H  
HETATM   66  H   UNL     1      10.057   4.120   1.114  1.00  0.00           H  
HETATM   67  H   UNL     1      11.415   5.243   1.371  1.00  0.00           H  
HETATM   68  H   UNL     1      11.812   5.323  -1.075  1.00  0.00           H  
HETATM   69  H   UNL     1      10.455   4.201  -1.333  1.00  0.00           H  
HETATM   70  H   UNL     1      10.684   8.035  -1.280  1.00  0.00           H  
HETATM   71  H   UNL     1       9.585   8.107   0.119  1.00  0.00           H  
HETATM   72  H   UNL     1      11.236   7.471   0.316  1.00  0.00           H  
HETATM   73  H   UNL     1       7.949   6.795  -1.039  1.00  0.00           H  
HETATM   74  H   UNL     1       7.770   4.403  -2.138  1.00  0.00           H  
HETATM   75  H   UNL     1       8.880   3.836  -0.868  1.00  0.00           H  
HETATM   76  H   UNL     1       7.227   4.482   0.864  1.00  0.00           H  
HETATM   77  H   UNL     1       6.117   5.049  -0.406  1.00  0.00           H  
HETATM   78  H   UNL     1       5.230   3.513  -2.035  1.00  0.00           H  
HETATM   79  H   UNL     1       5.768   1.817  -2.047  1.00  0.00           H  
HETATM   80  H   UNL     1       4.439   2.321  -0.976  1.00  0.00           H  
HETATM   81  H   UNL     1       7.565   2.179   1.191  1.00  0.00           H  
HETATM   82  H   UNL     1       5.648   0.387   1.318  1.00  0.00           H  
HETATM   83  H   UNL     1       5.461   0.579  -0.442  1.00  0.00           H  
HETATM   84  H   UNL     1       7.787  -0.211  -0.775  1.00  0.00           H  
HETATM   85  H   UNL     1       7.975  -0.403   0.984  1.00  0.00           H  
HETATM   86  H   UNL     1       6.632  -1.977   2.200  1.00  0.00           H  
HETATM   87  H   UNL     1       5.315  -2.845   1.374  1.00  0.00           H  
HETATM   88  H   UNL     1       6.972  -3.495   1.334  1.00  0.00           H  
HETATM   89  H   UNL     1       6.622  -1.796  -2.000  1.00  0.00           H  
HETATM   90  H   UNL     1       6.273  -4.377  -1.651  1.00  0.00           H  
HETATM   91  H   UNL     1       5.373  -3.974  -0.169  1.00  0.00           H  
HETATM   92  H   UNL     1       3.704  -2.733  -1.520  1.00  0.00           H  
HETATM   93  H   UNL     1       4.605  -3.136  -3.002  1.00  0.00           H  
HETATM   94  H   UNL     1       4.854  -5.418  -3.706  1.00  0.00           H  
HETATM   95  H   UNL     1       4.275  -6.739  -2.662  1.00  0.00           H  
HETATM   96  H   UNL     1       3.159  -5.953  -3.805  1.00  0.00           H  
HETATM   97  H   UNL     1       2.344  -4.319  -0.518  1.00  0.00           H  
HETATM   98  H   UNL     1       0.967  -6.329  -1.470  1.00  0.00           H  
HETATM   99  H   UNL     1       2.509  -7.057  -1.980  1.00  0.00           H  
HETATM  100  H   UNL     1       3.237  -7.173   0.388  1.00  0.00           H  
HETATM  101  H   UNL     1       1.695  -6.445   0.897  1.00  0.00           H  
HETATM  102  H   UNL     1       2.820 -10.081   0.579  1.00  0.00           H  
HETATM  103  H   UNL     1       1.656 -10.376  -0.735  1.00  0.00           H  
HETATM  104  H   UNL     1       3.076  -9.342  -1.020  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.149  -9.555   0.604  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.792  -7.323   1.869  1.00  0.00           H  
HETATM  107  H   UNL     1       0.009  -6.453   0.538  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.602  -7.433  -1.072  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.403  -8.303   0.259  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.469  -7.094   2.048  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.366  -5.319   2.110  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.633  -6.103   1.137  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.876  -5.109  -1.293  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.177  -3.852  -1.141  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.131  -4.143   0.614  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.048  -2.808   0.781  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.095  -2.516  -0.974  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.787  -1.195  -1.969  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.292  -0.928  -1.058  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.976   0.268  -0.973  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.429  -1.601   2.196  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.465   0.800   2.055  1.00  0.00           H  
HETATM  123  H   UNL     1      -5.356   0.255   0.614  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.538  -1.439   1.985  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.647  -0.895   3.427  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.914   1.346   4.261  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.916   2.516   3.368  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.673   1.402   4.532  1.00  0.00           H  
HETATM  129  H   UNL     1      -8.260  -0.120   1.099  1.00  0.00           H  
HETATM  130  H   UNL     1     -10.134   1.090   2.503  1.00  0.00           H  
HETATM  131  H   UNL     1      -8.882   2.250   3.009  1.00  0.00           H  
HETATM  132  H   UNL     1     -12.177   1.190   1.041  1.00  0.00           H  
HETATM  133  H   UNL     1     -11.677   0.429  -0.489  1.00  0.00           H  
HETATM  134  H   UNL     1     -10.742   0.137   0.997  1.00  0.00           H  
HETATM  135  H   UNL     1     -11.312   6.264  -1.798  1.00  0.00           H  
HETATM  136  H   UNL     1     -11.407   5.971  -3.551  1.00  0.00           H  
HETATM  137  H   UNL     1     -12.151   4.821  -2.414  1.00  0.00           H  
HETATM  138  H   UNL     1      -6.202   4.779  -0.271  1.00  0.00           H  
HETATM  139  H   UNL     1      -6.647   4.477  -1.968  1.00  0.00           H  
HETATM  140  H   UNL     1      -6.217   6.121  -1.440  1.00  0.00           H  
CONECT    1    2   59   60   61                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   62   63   64                                       
CONECT    4    2    2    5   65                                       
CONECT    5    4    6   66   67                                       
CONECT    6    5    7   68   69                                       
CONECT    7    6    9    9    8                                       
CONECT    8    7   70   71   72                                       
CONECT    9    7    7   10   73                                       
CONECT   10    9   11   74   75                                       
CONECT   11   10   12   76   77                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   78   79   80                                       
CONECT   14   12   12   15   81                                       
CONECT   15   14   16   82   83                                       
CONECT   16   15   17   84   85                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17   86   87   88                                       
CONECT   19   17   17   20   89                                       
CONECT   20   19   21   90   91                                       
CONECT   21   20   22   92   93                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   94   95   96                                       
CONECT   24   22   22   25   97                                       
CONECT   25   24   26   98   99                                       
CONECT   26   25   27  100  101                                       
CONECT   27   26   29   29   28                                       
CONECT   28   27  102  103  104                                       
CONECT   29   27   27   30  105                                       
CONECT   30   29   31  106  107                                       
CONECT   31   30   32  108  109                                       
CONECT   32   31   33   34   34                                       
CONECT   33   32  110  111  112                                       
CONECT   34   32   32   35  113                                       
CONECT   35   34   36  114  115                                       
CONECT   36   35   37  116  117                                       
CONECT   37   36   39   39   38                                       
CONECT   38   37  118  119  120                                       
CONECT   39   37   37   40  121                                       
CONECT   40   39   41  122  123                                       
CONECT   41   40   42  124  125                                       
CONECT   42   41   43   44   44                                       
CONECT   43   42  126  127  128                                       
CONECT   44   42   42   45  129                                       
CONECT   45   44   46  130  131                                       
CONECT   46   45   57   47   47                                       
CONECT   47   46   46   49   48                                       
CONECT   48   47  132  133  134                                       
CONECT   49   47   51   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   49   54   54   52                                       
CONECT   52   51   53                                                 
CONECT   53   52  135  136  137                                       
CONECT   54   51   51   55   57                                       
CONECT   55   54   56                                                 
CONECT   56   55  138  139  140                                       
CONECT   57   46   54   58   58                                       
CONECT   58   57   57                                                 
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    6                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   18                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   20                                                      
CONECT   91   20                                                      
CONECT   92   21                                                      
CONECT   93   21                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   23                                                      
CONECT   97   24                                                      
CONECT   98   25                                                      
CONECT   99   25                                                      
CONECT  100   26                                                      
CONECT  101   26                                                      
CONECT  102   28                                                      
CONECT  103   28                                                      
CONECT  104   28                                                      
CONECT  105   29                                                      
CONECT  106   30                                                      
CONECT  107   30                                                      
CONECT  108   31                                                      
CONECT  109   31                                                      
CONECT  110   33                                                      
CONECT  111   33                                                      
CONECT  112   33                                                      
CONECT  113   34                                                      
CONECT  114   35                                                      
CONECT  115   35                                                      
CONECT  116   36                                                      
CONECT  117   36                                                      
CONECT  118   38                                                      
CONECT  119   38                                                      
CONECT  120   38                                                      
CONECT  121   39                                                      
CONECT  122   40                                                      
CONECT  123   40                                                      
CONECT  124   41                                                      
CONECT  125   41                                                      
CONECT  126   43                                                      
CONECT  127   43                                                      
CONECT  128   43                                                      
CONECT  129   44                                                      
CONECT  130   45                                                      
CONECT  131   45                                                      
CONECT  132   48                                                      
CONECT  133   48                                                      
CONECT  134   48                                                      
CONECT  135   53                                                      
CONECT  136   53                                                      
CONECT  137   53                                                      
CONECT  138   56                                                      
CONECT  139   56                                                      
CONECT  140   56                                                      
MASTER        0    0    0    0    0    0    0    0  140    0  140    0
END
