COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.312  -0.232  -0.635  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.657  -0.631  -0.083  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.455  -1.393  -0.789  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.087  -1.764  -2.202  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.741  -1.898  -0.188  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.888  -0.962  -0.577  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.194  -1.474   0.033  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.340  -0.539  -0.356  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.112   0.837   0.274  1.00  0.00           C  
HETATM   10  N   UNL     1       4.688  -0.501   0.782  1.00  0.00           N  
HETATM   11  N   UNL     1       7.065  -2.034   0.153  1.00  0.00           N  
HETATM   12  N   UNL     1       8.754   0.280  -1.028  1.00  0.00           N  
HETATM   13  N   UNL     1       6.562   1.743  -0.388  1.00  0.00           N  
HETATM   14  C   UNL     1     -11.664  -1.117   0.148  1.00  0.00           C  
HETATM   15  C   UNL     1     -12.821  -0.248  -0.347  1.00  0.00           C  
HETATM   16  C   UNL     1     -14.145  -0.826   0.157  1.00  0.00           C  
HETATM   17  C   UNL     1     -15.303   0.044  -0.338  1.00  0.00           C  
HETATM   18  C   UNL     1     -15.203   1.434   0.293  1.00  0.00           C  
HETATM   19  C   UNL     1     -16.632  -0.602   0.060  1.00  0.00           C  
HETATM   20  C   UNL     1     -17.788   0.200  -0.541  1.00  0.00           C  
HETATM   21  C   UNL     1     -19.117  -0.446  -0.143  1.00  0.00           C  
HETATM   22  C   UNL     1     -20.274   0.356  -0.744  1.00  0.00           C  
HETATM   23  C   UNL     1     -20.219   0.263  -2.270  1.00  0.00           C  
HETATM   24  C   UNL     1       3.837   0.499   0.903  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.788   0.322  -1.051  1.00  0.00           O  
HETATM   26  C   UNL     1       6.251  -2.990   0.720  1.00  0.00           C  
HETATM   27  C   UNL     1       9.558  -0.745  -1.176  1.00  0.00           C  
HETATM   28  C   UNL     1       7.313   2.788  -0.887  1.00  0.00           C  
HETATM   29  O   UNL     1       3.185   2.394   2.988  1.00  0.00           O  
HETATM   30  C   UNL     1     -21.603  -0.215  -0.245  1.00  0.00           C  
HETATM   31  C   UNL     1       2.528  -0.020   1.450  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.301  -0.387   0.396  1.00  0.00           O  
HETATM   33  C   UNL     1       6.965  -4.190   0.792  1.00  0.00           C  
HETATM   34  C   UNL     1      10.821  -0.263  -1.879  1.00  0.00           C  
HETATM   35  C   UNL     1       6.571   3.962  -0.766  1.00  0.00           C  
HETATM   36  O   UNL     1       2.065   4.239   2.513  1.00  0.00           O  
HETATM   37  C   UNL     1       2.796  -1.530   1.627  1.00  0.00           C  
HETATM   38  C   UNL     1       8.224  -3.966   0.245  1.00  0.00           C  
HETATM   39  C   UNL     1      10.577   1.220  -2.066  1.00  0.00           C  
HETATM   40  C   UNL     1       5.335   3.628  -0.199  1.00  0.00           C  
HETATM   41  C   UNL     1       4.235  -1.678   1.162  1.00  0.00           C  
HETATM   42  C   UNL     1       8.268  -2.602  -0.171  1.00  0.00           C  
HETATM   43  C   UNL     1       9.234   1.434  -1.480  1.00  0.00           C  
HETATM   44  C   UNL     1       5.341   2.235   0.021  1.00  0.00           C  
HETATM   45  C   UNL     1       1.393   0.215   0.451  1.00  0.00           C  
HETATM   46  C   UNL     1       9.304  -4.948   0.121  1.00  0.00           C  
HETATM   47  C   UNL     1      11.380   2.120  -2.623  1.00  0.00           C  
HETATM   48  C   UNL     1       4.056   4.188   0.247  1.00  0.00           C  
HETATM   49  C   UNL     1       0.064  -0.206   1.082  1.00  0.00           C  
HETATM   50  C   UNL     1       9.471  -5.725  -1.160  1.00  0.00           C  
HETATM   51  O   UNL     1      10.064  -5.135   1.048  1.00  0.00           O  
HETATM   52  C   UNL     1      12.722   1.699  -3.165  1.00  0.00           C  
HETATM   53  C   UNL     1       3.226   3.011   0.714  1.00  0.00           C  
HETATM   54  O   UNL     1       3.729   5.357   0.243  1.00  0.00           O  
HETATM   55  C   UNL     1       1.716   4.350   3.918  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.039  -0.071   0.064  1.00  0.00           C  
HETATM   57  C   UNL     1       2.824   3.192   2.155  1.00  0.00           C  
HETATM   58  C   UNL     1       4.127   1.812   0.569  1.00  0.00           C  
HETATM   59  C   UNL     1       4.930  -2.865   1.163  1.00  0.00           C  
HETATM   60  C   UNL     1       9.384  -2.056  -0.788  1.00  0.00           C  
HETATM   61  C   UNL     1       8.594   2.675  -1.425  1.00  0.00           C  
HETATM   62  C   UNL     1       2.657  -1.937   3.095  1.00  0.00           C  
HETATM   63  C   UNL     1       6.461  -5.492   1.360  1.00  0.00           C  
HETATM   64  C   UNL     1      12.052  -0.501  -1.002  1.00  0.00           C  
HETATM   65  C   UNL     1       7.018   5.343  -1.172  1.00  0.00           C  
HETATM   66  H   UNL     1      -3.065  -0.868  -1.484  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.346   0.808  -0.957  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.962  -0.289   0.895  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.432  -2.636  -2.190  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.991  -1.996  -2.764  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.570  -0.928  -2.675  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.948  -2.900  -0.562  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.648  -1.927   0.897  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.681   0.041  -0.203  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.981  -0.933  -1.663  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.401  -2.477  -0.341  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.101  -1.504   1.119  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.376  -0.440  -1.441  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.168   1.249  -0.085  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.928   1.503  -0.003  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.075   0.738   1.359  1.00  0.00           H  
HETATM   82  H   UNL     1       6.824  -1.106   0.007  1.00  0.00           H  
HETATM   83  H   UNL     1       6.845   0.817  -0.335  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.784  -2.132  -0.230  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.662  -1.133   1.238  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.701   0.768   0.032  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.824  -0.231  -1.437  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.266  -1.841  -0.221  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.143  -0.842   1.247  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.253   0.132  -1.423  1.00  0.00           H  
HETATM   91  H   UNL     1     -16.027   2.053  -0.060  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.253   1.345   1.378  1.00  0.00           H  
HETATM   93  H   UNL     1     -14.256   1.894   0.009  1.00  0.00           H  
HETATM   94  H   UNL     1     -16.666  -1.625  -0.315  1.00  0.00           H  
HETATM   95  H   UNL     1     -16.721  -0.610   1.146  1.00  0.00           H  
HETATM   96  H   UNL     1     -17.755   1.223  -0.166  1.00  0.00           H  
HETATM   97  H   UNL     1     -17.699   0.207  -1.627  1.00  0.00           H  
HETATM   98  H   UNL     1     -19.151  -1.469  -0.518  1.00  0.00           H  
HETATM   99  H   UNL     1     -19.206  -0.454   0.943  1.00  0.00           H  
HETATM  100  H   UNL     1     -20.189   1.399  -0.440  1.00  0.00           H  
HETATM  101  H   UNL     1     -19.272   0.669  -2.625  1.00  0.00           H  
HETATM  102  H   UNL     1     -20.304  -0.780  -2.574  1.00  0.00           H  
HETATM  103  H   UNL     1     -21.043   0.834  -2.698  1.00  0.00           H  
HETATM  104  H   UNL     1     -21.641  -0.149   0.842  1.00  0.00           H  
HETATM  105  H   UNL     1     -22.427   0.356  -0.673  1.00  0.00           H  
HETATM  106  H   UNL     1     -21.687  -1.258  -0.549  1.00  0.00           H  
HETATM  107  H   UNL     1       2.299   0.446   2.409  1.00  0.00           H  
HETATM  108  H   UNL     1      10.937  -0.758  -2.844  1.00  0.00           H  
HETATM  109  H   UNL     1       2.126  -2.117   0.999  1.00  0.00           H  
HETATM  110  H   UNL     1       1.352   1.272   0.190  1.00  0.00           H  
HETATM  111  H   UNL     1       1.572  -0.375  -0.447  1.00  0.00           H  
HETATM  112  H   UNL     1      11.071   3.153  -2.688  1.00  0.00           H  
HETATM  113  H   UNL     1       0.130  -1.243   1.411  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.151   0.434   1.938  1.00  0.00           H  
HETATM  115  H   UNL     1       8.760  -5.362  -1.901  1.00  0.00           H  
HETATM  116  H   UNL     1      10.486  -5.594  -1.535  1.00  0.00           H  
HETATM  117  H   UNL     1       9.289  -6.783  -0.969  1.00  0.00           H  
HETATM  118  H   UNL     1      13.234   2.567  -3.581  1.00  0.00           H  
HETATM  119  H   UNL     1      13.321   1.274  -2.361  1.00  0.00           H  
HETATM  120  H   UNL     1      12.580   0.952  -3.947  1.00  0.00           H  
HETATM  121  H   UNL     1       2.342   2.898   0.086  1.00  0.00           H  
HETATM  122  H   UNL     1       2.626   4.431   4.513  1.00  0.00           H  
HETATM  123  H   UNL     1       1.102   5.238   4.071  1.00  0.00           H  
HETATM  124  H   UNL     1       1.158   3.465   4.225  1.00  0.00           H  
HETATM  125  H   UNL     1       4.425  -3.760   1.529  1.00  0.00           H  
HETATM  126  H   UNL     1      10.218  -2.743  -0.992  1.00  0.00           H  
HETATM  127  H   UNL     1       9.101   3.551  -1.806  1.00  0.00           H  
HETATM  128  H   UNL     1       1.646  -1.716   3.439  1.00  0.00           H  
HETATM  129  H   UNL     1       2.850  -3.005   3.196  1.00  0.00           H  
HETATM  130  H   UNL     1       3.375  -1.379   3.697  1.00  0.00           H  
HETATM  131  H   UNL     1       5.984  -6.073   0.570  1.00  0.00           H  
HETATM  132  H   UNL     1       7.297  -6.056   1.773  1.00  0.00           H  
HETATM  133  H   UNL     1       5.736  -5.288   2.148  1.00  0.00           H  
HETATM  134  H   UNL     1      12.164  -1.569  -0.815  1.00  0.00           H  
HETATM  135  H   UNL     1      12.940  -0.127  -1.511  1.00  0.00           H  
HETATM  136  H   UNL     1      11.929   0.023  -0.054  1.00  0.00           H  
HETATM  137  H   UNL     1       8.026   5.292  -1.583  1.00  0.00           H  
HETATM  138  H   UNL     1       6.338   5.738  -1.927  1.00  0.00           H  
HETATM  139  H   UNL     1       7.014   5.997  -0.301  1.00  0.00           H  
CONECT    1    2   32   66   67                                       
CONECT    2    1    3    3   68                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3   69   70   71                                       
CONECT    5    3    6   72   73                                       
CONECT    6    5    7   74   75                                       
CONECT    7    6    8   76   77                                       
CONECT    8    7    9   14   78                                       
CONECT    9    8   79   80   81                                       
CONECT   10   24   24   41                                            
CONECT   11   42   26   82                                            
CONECT   12   27   43   43                                            
CONECT   13   28   44   83                                            
CONECT   14    8   15   84   85                                       
CONECT   15   14   16   86   87                                       
CONECT   16   15   17   88   89                                       
CONECT   17   16   18   19   90                                       
CONECT   18   17   91   92   93                                       
CONECT   19   17   20   94   95                                       
CONECT   20   19   21   96   97                                       
CONECT   21   20   22   98   99                                       
CONECT   22   21   23   30  100                                       
CONECT   23   22  101  102  103                                       
CONECT   24   10   10   58   31                                       
CONECT   25   56   56                                                 
CONECT   26   11   33   33   59                                       
CONECT   27   12   34   60   60                                       
CONECT   28   13   61   61   35                                       
CONECT   29   57   57                                                 
CONECT   30   22  104  105  106                                       
CONECT   31   24   45   37  107                                       
CONECT   32    1   56                                                 
CONECT   33   26   26   38   63                                       
CONECT   34   27   64   39  108                                       
CONECT   35   28   65   40   40                                       
CONECT   36   57   55                                                 
CONECT   37   31   41   62  109                                       
CONECT   38   33   42   42   46                                       
CONECT   39   34   47   47   43                                       
CONECT   40   35   35   44   48                                       
CONECT   41   37   10   59   59                                       
CONECT   42   11   38   38   60                                       
CONECT   43   12   12   39   61                                       
CONECT   44   13   40   58   58                                       
CONECT   45   31   49  110  111                                       
CONECT   46   38   50   51   51                                       
CONECT   47   39   39   52  112                                       
CONECT   48   40   53   54   54                                       
CONECT   49   45   56  113  114                                       
CONECT   50   46  115  116  117                                       
CONECT   51   46   46                                                 
CONECT   52   47  118  119  120                                       
CONECT   53   48   58   57  121                                       
CONECT   54   48   48                                                 
CONECT   55   36  122  123  124                                       
CONECT   56   32   49   25   25                                       
CONECT   57   29   29   36   53                                       
CONECT   58   24   53   44   44                                       
CONECT   59   41   41   26  125                                       
CONECT   60   42   27   27  126                                       
CONECT   61   28   28   43  127                                       
CONECT   62   37  128  129  130                                       
CONECT   63   33  131  132  133                                       
CONECT   64   34  134  135  136                                       
CONECT   65   35  137  138  139                                       
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    2                                                      
CONECT   69    4                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82   11                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   14                                                      
CONECT   86   15                                                      
CONECT   87   15                                                      
CONECT   88   16                                                      
CONECT   89   16                                                      
CONECT   90   17                                                      
CONECT   91   18                                                      
CONECT   92   18                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   19                                                      
CONECT   96   20                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   21                                                      
CONECT  100   22                                                      
CONECT  101   23                                                      
CONECT  102   23                                                      
CONECT  103   23                                                      
CONECT  104   30                                                      
CONECT  105   30                                                      
CONECT  106   30                                                      
CONECT  107   31                                                      
CONECT  108   34                                                      
CONECT  109   37                                                      
CONECT  110   45                                                      
CONECT  111   45                                                      
CONECT  112   47                                                      
CONECT  113   49                                                      
CONECT  114   49                                                      
CONECT  115   50                                                      
CONECT  116   50                                                      
CONECT  117   50                                                      
CONECT  118   52                                                      
CONECT  119   52                                                      
CONECT  120   52                                                      
CONECT  121   53                                                      
CONECT  122   55                                                      
CONECT  123   55                                                      
CONECT  124   55                                                      
CONECT  125   59                                                      
CONECT  126   60                                                      
CONECT  127   61                                                      
CONECT  128   62                                                      
CONECT  129   62                                                      
CONECT  130   62                                                      
CONECT  131   63                                                      
CONECT  132   63                                                      
CONECT  133   63                                                      
CONECT  134   64                                                      
CONECT  135   64                                                      
CONECT  136   64                                                      
CONECT  137   65                                                      
CONECT  138   65                                                      
CONECT  139   65                                                      
MASTER        0    0    0    0    0    0    0    0  139    0  139    0
END
