COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.786   1.797  -1.894  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.541   1.222  -2.573  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.892   3.081  -0.762  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.524   1.930  -0.391  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.773   1.141  -4.083  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.099   2.193  -0.920  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.624   4.798  -0.794  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.677   2.720  -0.287  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.287   2.807  -0.176  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.911   3.834  -0.326  1.00  0.00           N  
HETATM   11  O   UNL     1      -9.655   2.535   0.240  1.00  0.00           O  
HETATM   12  O   UNL     1      -6.421   2.069  -2.307  1.00  0.00           O  
HETATM   13  N   UNL     1      -4.809   4.380  -1.069  1.00  0.00           N  
HETATM   14  N   UNL     1      -9.923   0.900  -2.115  1.00  0.00           N  
HETATM   15  C   UNL     1     -10.230  -0.189  -1.373  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.348  -0.718  -1.923  1.00  0.00           C  
HETATM   17  N   UNL     1     -11.666   0.063  -2.962  1.00  0.00           N  
HETATM   18  N   UNL     1     -10.805   1.015  -3.046  1.00  0.00           N  
HETATM   19  C   UNL     1     -12.088  -1.945  -1.458  1.00  0.00           C  
HETATM   20  O   UNL     1     -11.428  -2.495  -0.316  1.00  0.00           O  
HETATM   21  O   UNL     1     -13.348  -3.335   0.710  1.00  0.00           O  
HETATM   22  C   UNL     1     -12.053  -3.668   0.208  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.301  -5.049   2.413  1.00  0.00           C  
HETATM   24  C   UNL     1     -14.074  -4.447   1.237  1.00  0.00           C  
HETATM   25  O   UNL     1     -13.184  -4.078   3.455  1.00  0.00           O  
HETATM   26  O   UNL     1     -11.149  -5.957   3.045  1.00  0.00           O  
HETATM   27  C   UNL     1     -11.198  -4.239   1.342  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.904  -5.461   1.938  1.00  0.00           C  
HETATM   29  C   UNL     1     -15.449  -3.978   1.717  1.00  0.00           C  
HETATM   30  O   UNL     1      -9.922  -4.628   0.830  1.00  0.00           O  
HETATM   31  O   UNL     1     -16.214  -3.522   0.599  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.990   2.879   1.220  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.659   0.498  -4.703  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.512   3.928   0.098  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.276   3.004   1.297  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.598   3.500  -1.054  1.00  0.00           C  
HETATM   37  C   UNL     1       4.564   2.288   1.117  1.00  0.00           C  
HETATM   38  C   UNL     1       0.206   3.052   1.681  1.00  0.00           C  
HETATM   39  N   UNL     1       2.474   2.757   0.812  1.00  0.00           N  
HETATM   40  N   UNL     1       4.313   3.553   1.474  1.00  0.00           N  
HETATM   41  N   UNL     1       3.065   3.800   1.281  1.00  0.00           N  
HETATM   42  C   UNL     1       1.053   2.658   0.468  1.00  0.00           C  
HETATM   43  C   UNL     1       3.389   1.768   0.690  1.00  0.00           C  
HETATM   44  O   UNL     1       0.763   3.538  -0.620  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.784   4.456  -2.234  1.00  0.00           C  
HETATM   46  O   UNL     1      -2.071   3.441   2.401  1.00  0.00           O  
HETATM   47  O   UNL     1       0.451   2.139   2.752  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.019   3.990  -3.348  1.00  0.00           O  
HETATM   49  O   UNL     1       6.310   1.457   2.534  1.00  0.00           O  
HETATM   50  C   UNL     1       5.895   1.583   1.173  1.00  0.00           C  
HETATM   51  O   UNL     1       9.290   2.491  -0.152  1.00  0.00           O  
HETATM   52  O   UNL     1       6.551   2.473  -0.978  1.00  0.00           O  
HETATM   53  N   UNL     1       9.929   0.828   2.111  1.00  0.00           N  
HETATM   54  O   UNL     1       6.911  -0.148   4.842  1.00  0.00           O  
HETATM   55  C   UNL     1       8.662   1.554   1.989  1.00  0.00           C  
HETATM   56  C   UNL     1       7.555   0.776   2.704  1.00  0.00           C  
HETATM   57  C   UNL     1       7.883   0.675   4.195  1.00  0.00           C  
HETATM   58  C   UNL     1       6.935   2.394   0.396  1.00  0.00           C  
HETATM   59  C   UNL     1       8.298   1.702   0.508  1.00  0.00           C  
HETATM   60  N   UNL     1      10.831   1.030   3.006  1.00  0.00           N  
HETATM   61  N   UNL     1      11.816   0.220   2.834  1.00  0.00           N  
HETATM   62  C   UNL     1      11.557  -0.558   1.777  1.00  0.00           C  
HETATM   63  C   UNL     1      10.348  -0.176   1.305  1.00  0.00           C  
HETATM   64  C   UNL     1      12.440  -1.645   1.220  1.00  0.00           C  
HETATM   65  O   UNL     1      11.805  -2.240   0.087  1.00  0.00           O  
HETATM   66  O   UNL     1      13.768  -2.751  -1.067  1.00  0.00           O  
HETATM   67  C   UNL     1      14.617  -3.725  -1.678  1.00  0.00           C  
HETATM   68  C   UNL     1      13.876  -4.387  -2.843  1.00  0.00           C  
HETATM   69  C   UNL     1      12.580  -5.016  -2.322  1.00  0.00           C  
HETATM   70  C   UNL     1      11.739  -3.933  -1.638  1.00  0.00           C  
HETATM   71  C   UNL     1      12.563  -3.289  -0.520  1.00  0.00           C  
HETATM   72  O   UNL     1      10.560  -4.522  -1.086  1.00  0.00           O  
HETATM   73  O   UNL     1      11.846  -5.572  -3.414  1.00  0.00           O  
HETATM   74  O   UNL     1      13.565  -3.403  -3.832  1.00  0.00           O  
HETATM   75  O   UNL     1      16.633  -2.524  -1.100  1.00  0.00           O  
HETATM   76  C   UNL     1      15.883  -3.043  -2.201  1.00  0.00           C  
HETATM   77  H   UNL     1      -9.010   2.779  -2.313  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.343   0.223  -2.182  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.352   0.943   0.038  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.680   0.570  -4.281  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.883   2.148  -4.488  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.882   1.207  -0.508  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.380   1.739   0.054  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.479   3.809  -0.560  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.557   2.650   1.195  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.691  -0.561  -0.514  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.110  -1.674  -1.191  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.106  -2.684  -2.258  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.151  -4.412  -0.584  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.832  -5.924   2.788  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.198  -5.201   0.459  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.702  -4.392   4.232  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.250  -6.230   2.818  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.066  -3.482   2.115  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.990  -6.239   1.178  1.00  0.00           H  
HETATM   96  H   UNL     1     -15.968  -4.807   2.199  1.00  0.00           H  
HETATM   97  H   UNL     1     -15.326  -3.163   2.430  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.420  -3.902   0.433  1.00  0.00           H  
HETATM   99  H   UNL     1     -17.100  -3.209   0.830  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.213   3.416   1.430  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.738   0.412  -5.663  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.285   4.956   0.381  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.551   1.984   1.030  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.853   2.487  -1.363  1.00  0.00           H  
HETATM  105  H   UNL     1       0.468   4.062   1.997  1.00  0.00           H  
HETATM  106  H   UNL     1       0.819   1.633   0.179  1.00  0.00           H  
HETATM  107  H   UNL     1       3.219   0.768   0.322  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.838   4.494  -2.508  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.445   5.452  -1.952  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.971   2.900   3.196  1.00  0.00           H  
HETATM  111  H   UNL     1       1.372   2.117   3.047  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.090   4.549  -4.134  1.00  0.00           H  
HETATM  113  H   UNL     1       5.800   0.592   0.729  1.00  0.00           H  
HETATM  114  H   UNL     1       9.122   2.625  -1.095  1.00  0.00           H  
HETATM  115  H   UNL     1       5.694   2.896  -1.123  1.00  0.00           H  
HETATM  116  H   UNL     1       7.056  -0.256   5.792  1.00  0.00           H  
HETATM  117  H   UNL     1       8.764   2.542   2.439  1.00  0.00           H  
HETATM  118  H   UNL     1       7.482  -0.226   2.279  1.00  0.00           H  
HETATM  119  H   UNL     1       7.869   1.671   4.638  1.00  0.00           H  
HETATM  120  H   UNL     1       8.873   0.236   4.320  1.00  0.00           H  
HETATM  121  H   UNL     1       7.001   3.398   0.815  1.00  0.00           H  
HETATM  122  H   UNL     1       8.245   0.717   0.045  1.00  0.00           H  
HETATM  123  H   UNL     1       9.821  -0.591   0.459  1.00  0.00           H  
HETATM  124  H   UNL     1      13.396  -1.218   0.919  1.00  0.00           H  
HETATM  125  H   UNL     1      12.606  -2.405   1.984  1.00  0.00           H  
HETATM  126  H   UNL     1      14.889  -4.483  -0.943  1.00  0.00           H  
HETATM  127  H   UNL     1      14.506  -5.160  -3.283  1.00  0.00           H  
HETATM  128  H   UNL     1      12.818  -5.801  -1.605  1.00  0.00           H  
HETATM  129  H   UNL     1      11.459  -3.174  -2.368  1.00  0.00           H  
HETATM  130  H   UNL     1      12.808  -4.041   0.231  1.00  0.00           H  
HETATM  131  H   UNL     1       9.980  -3.893  -0.636  1.00  0.00           H  
HETATM  132  H   UNL     1      11.012  -5.988  -3.157  1.00  0.00           H  
HETATM  133  H   UNL     1      13.094  -3.753  -4.600  1.00  0.00           H  
HETATM  134  H   UNL     1      17.451  -2.077  -1.358  1.00  0.00           H  
HETATM  135  H   UNL     1      16.489  -3.768  -2.744  1.00  0.00           H  
HETATM  136  H   UNL     1      15.607  -2.227  -2.868  1.00  0.00           H  
CONECT    1    2   14    4   77                                       
CONECT    2    5   12    1   78                                       
CONECT    3   13    8    8    6                                       
CONECT    4    1    9   11   79                                       
CONECT    5   33    2   80   81                                       
CONECT    6   12    3    9   82                                       
CONECT    7   13   13   10                                            
CONECT    8   10    3    3   83                                       
CONECT    9    6    4   32   84                                       
CONECT   10    7   34    8                                            
CONECT   11    4   85                                                 
CONECT   12    2    6                                                 
CONECT   13    7    7    3                                            
CONECT   14    1   18   15                                            
CONECT   15   14   16   16   86                                       
CONECT   16   17   15   15   19                                       
CONECT   17   18   18   16                                            
CONECT   18   14   17   17                                            
CONECT   19   16   20   87   88                                       
CONECT   20   19   22                                                 
CONECT   21   22   24                                                 
CONECT   22   20   27   21   89                                       
CONECT   23   28   24   25   90                                       
CONECT   24   21   23   29   91                                       
CONECT   25   23   92                                                 
CONECT   26   28   93                                                 
CONECT   27   30   22   28   94                                       
CONECT   28   27   26   23   95                                       
CONECT   29   24   31   96   97                                       
CONECT   30   27   98                                                 
CONECT   31   29   99                                                 
CONECT   32    9  100                                                 
CONECT   33    5  101                                                 
CONECT   34   36   10   35  102                                       
CONECT   35   34   38   46  103                                       
CONECT   36   45   44   34  104                                       
CONECT   37   40   43   43   50                                       
CONECT   38   42   35   47  105                                       
CONECT   39   41   42   43                                            
CONECT   40   41   41   37                                            
CONECT   41   40   40   39                                            
CONECT   42   44   39   38  106                                       
CONECT   43   39   37   37  107                                       
CONECT   44   36   42                                                 
CONECT   45   48   36  108  109                                       
CONECT   46   35  110                                                 
CONECT   47   38  111                                                 
CONECT   48   45  112                                                 
CONECT   49   56   50                                                 
CONECT   50   49   37   58  113                                       
CONECT   51   59  114                                                 
CONECT   52   58  115                                                 
CONECT   53   55   60   63                                            
CONECT   54   57  116                                                 
CONECT   55   56   53   59  117                                       
CONECT   56   57   49   55  118                                       
CONECT   57   54   56  119  120                                       
CONECT   58   50   59   52  121                                       
CONECT   59   55   58   51  122                                       
CONECT   60   53   61   61                                            
CONECT   61   60   60   62                                            
CONECT   62   61   63   63   64                                       
CONECT   63   53   62   62  123                                       
CONECT   64   62   65  124  125                                       
CONECT   65   64   71                                                 
CONECT   66   71   67                                                 
CONECT   67   66   68   76  126                                       
CONECT   68   69   67   74  127                                       
CONECT   69   70   73   68  128                                       
CONECT   70   72   71   69  129                                       
CONECT   71   65   70   66  130                                       
CONECT   72   70  131                                                 
CONECT   73   69  132                                                 
CONECT   74   68  133                                                 
CONECT   75   76  134                                                 
CONECT   76   67   75  135  136                                       
CONECT   77    1                                                      
CONECT   78    2                                                      
CONECT   79    4                                                      
CONECT   80    5                                                      
CONECT   81    5                                                      
CONECT   82    6                                                      
CONECT   83    8                                                      
CONECT   84    9                                                      
CONECT   85   11                                                      
CONECT   86   15                                                      
CONECT   87   19                                                      
CONECT   88   19                                                      
CONECT   89   22                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   38                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   45                                                      
CONECT  109   45                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   52                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   57                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   59                                                      
CONECT  123   63                                                      
CONECT  124   64                                                      
CONECT  125   64                                                      
CONECT  126   67                                                      
CONECT  127   68                                                      
CONECT  128   69                                                      
CONECT  129   70                                                      
CONECT  130   71                                                      
CONECT  131   72                                                      
CONECT  132   73                                                      
CONECT  133   74                                                      
CONECT  134   75                                                      
CONECT  135   76                                                      
CONECT  136   76                                                      
MASTER        0    0    0    0    0    0    0    0  136    0  136    0
END
