COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.018   0.531 -10.823  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.774   1.470 -10.672  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.465  -0.837 -10.501  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.137  -3.270 -10.335  1.00  0.00           C  
HETATM    5  C   UNL     1       0.353  -1.885 -10.668  1.00  0.00           C  
HETATM    6  C   UNL     1       1.726  -1.701 -11.173  1.00  0.00           C  
HETATM    7  O   UNL     1       2.456  -2.661 -11.319  1.00  0.00           O  
HETATM    8  C   UNL     1       2.212  -0.343 -11.501  1.00  0.00           C  
HETATM    9  C   UNL     1       3.502  -0.143 -11.979  1.00  0.00           C  
HETATM   10  C   UNL     1       3.933   1.139 -12.280  1.00  0.00           C  
HETATM   11  C   UNL     1       3.089   2.220 -12.108  1.00  0.00           C  
HETATM   12  C   UNL     1       1.800   2.036 -11.632  1.00  0.00           C  
HETATM   13  C   UNL     1       1.353   0.756 -11.326  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.862  -1.060  -9.984  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.859  -0.980  -8.479  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.670  -0.154  -7.865  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.681   0.635  -8.656  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.592   0.005  -6.369  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.606   1.123  -6.026  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.528   1.283  -4.530  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.368   1.222  -3.924  1.00  0.00           C  
HETATM   22  C   UNL     1       0.899   1.117  -4.732  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.301   1.256  -2.419  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.374  -0.170  -1.872  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.307  -0.135  -0.367  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.251  -0.701   0.343  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.465  -1.277  -0.339  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.123  -0.775   1.842  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.751   0.470   2.470  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.623   0.396   3.970  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.047   1.371   4.627  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.613   2.617   3.899  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.817   1.247   6.111  1.00  0.00           C  
HETATM   34  C   UNL     1       0.550   0.611   6.365  1.00  0.00           C  
HETATM   35  C   UNL     1       0.779   0.487   7.849  1.00  0.00           C  
HETATM   36  C   UNL     1       1.076  -0.677   8.371  1.00  0.00           C  
HETATM   37  C   UNL     1       1.299  -1.869   7.476  1.00  0.00           C  
HETATM   38  C   UNL     1       1.193  -0.824   9.866  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.170  -1.196  10.451  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.053  -1.343  11.946  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.842  -0.658  12.736  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.949   0.180  12.151  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.643  -0.709  14.229  1.00  0.00           C  
HETATM   44  C   UNL     1       0.321   0.399  14.653  1.00  0.00           C  
HETATM   45  C   UNL     1       0.520   0.348  16.146  1.00  0.00           C  
HETATM   46  C   UNL     1       1.729   0.264  16.643  1.00  0.00           C  
HETATM   47  C   UNL     1       1.923   0.087  18.127  1.00  0.00           C  
HETATM   48  C   UNL     1       2.926   0.344  15.731  1.00  0.00           C  
HETATM   49  H   UNL     1       0.655  -3.993 -10.530  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.416  -3.313  -9.282  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.004  -3.507 -10.951  1.00  0.00           H  
HETATM   52  H   UNL     1       4.166  -0.983 -12.115  1.00  0.00           H  
HETATM   53  H   UNL     1       4.935   1.295 -12.651  1.00  0.00           H  
HETATM   54  H   UNL     1       3.436   3.214 -12.345  1.00  0.00           H  
HETATM   55  H   UNL     1       1.145   2.884 -11.499  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.212  -2.045 -10.295  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.526  -0.295 -10.387  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.189  -1.604  -7.906  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.321   1.193  -7.973  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.162   1.329  -9.317  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.290  -0.045  -9.250  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.253  -0.928  -5.921  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.578   0.258  -5.979  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.945   2.057  -6.474  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.620   0.870  -6.416  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.428   1.448  -3.957  1.00  0.00           H  
HETATM   67  H   UNL     1       0.943   1.939  -5.447  1.00  0.00           H  
HETATM   68  H   UNL     1       1.760   1.168  -4.066  1.00  0.00           H  
HETATM   69  H   UNL     1       0.910   0.168  -5.268  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.138   1.837  -2.031  1.00  0.00           H  
HETATM   71  H   UNL     1       0.635   1.718  -2.107  1.00  0.00           H  
HETATM   72  H   UNL     1       0.462  -0.750  -2.260  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.311  -0.631  -2.184  1.00  0.00           H  
HETATM   74  H   UNL     1       0.518   0.355   0.125  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.165  -2.115  -0.968  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.175  -1.623   0.412  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.934  -0.510  -0.955  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.069  -0.827   2.115  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.638  -1.664   2.207  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.805   0.522   2.197  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.237   1.359   2.105  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.007  -0.461   4.503  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.489   3.127   3.497  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.093   3.280   4.591  1.00  0.00           H  
HETATM   85  H   UNL     1       0.056   2.347   3.083  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.596   0.622   6.548  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.848   2.237   6.568  1.00  0.00           H  
HETATM   88  H   UNL     1       1.328   1.236   5.928  1.00  0.00           H  
HETATM   89  H   UNL     1       0.580  -0.378   5.908  1.00  0.00           H  
HETATM   90  H   UNL     1       0.699   1.358   8.482  1.00  0.00           H  
HETATM   91  H   UNL     1       2.171  -1.692   6.847  1.00  0.00           H  
HETATM   92  H   UNL     1       1.466  -2.755   8.088  1.00  0.00           H  
HETATM   93  H   UNL     1       0.422  -2.020   6.848  1.00  0.00           H  
HETATM   94  H   UNL     1       1.529   0.117  10.299  1.00  0.00           H  
HETATM   95  H   UNL     1       1.914  -1.608  10.098  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.506  -2.138  10.018  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.891  -0.412  10.218  1.00  0.00           H  
HETATM   98  H   UNL     1       0.681  -2.014  12.366  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.578  -0.440  11.514  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.550   0.601  12.957  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.518   0.988  11.560  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.227  -1.678  14.507  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.601  -0.568  14.728  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.094   1.368  14.375  1.00  0.00           H  
HETATM  105  H   UNL     1       1.279   0.258  14.153  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.333   0.381  16.806  1.00  0.00           H  
HETATM  107  H   UNL     1       2.989   0.038  18.351  1.00  0.00           H  
HETATM  108  H   UNL     1       1.480   0.931  18.654  1.00  0.00           H  
HETATM  109  H   UNL     1       1.441  -0.835  18.449  1.00  0.00           H  
HETATM  110  H   UNL     1       2.874   1.260  15.143  1.00  0.00           H  
HETATM  111  H   UNL     1       3.838   0.346  16.328  1.00  0.00           H  
HETATM  112  H   UNL     1       2.931  -0.516  15.062  1.00  0.00           H  
CONECT    1    2    2    3   13                                       
CONECT    2    1    1                                                 
CONECT    3    1    5    5   14                                       
CONECT    4    5   49   50   51                                       
CONECT    5    3    3    4    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   13                                       
CONECT    9    8    8   10   52                                       
CONECT   10    9   11   11   53                                       
CONECT   11   10   10   12   54                                       
CONECT   12   11   13   13   55                                       
CONECT   13    1    8   12   12                                       
CONECT   14    3   15   56   57                                       
CONECT   15   14   16   16   58                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   59   60   61                                       
CONECT   18   16   19   62   63                                       
CONECT   19   18   20   64   65                                       
CONECT   20   19   21   21   66                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21   67   68   69                                       
CONECT   23   21   24   70   71                                       
CONECT   24   23   25   72   73                                       
CONECT   25   24   26   26   74                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   75   76   77                                       
CONECT   28   26   29   78   79                                       
CONECT   29   28   30   80   81                                       
CONECT   30   29   31   31   82                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31   83   84   85                                       
CONECT   33   31   34   86   87                                       
CONECT   34   33   35   88   89                                       
CONECT   35   34   36   36   90                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36   91   92   93                                       
CONECT   38   36   39   94   95                                       
CONECT   39   38   40   96   97                                       
CONECT   40   39   41   41   98                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41   99  100  101                                       
CONECT   43   41   44  102  103                                       
CONECT   44   43   45  104  105                                       
CONECT   45   44   46   46  106                                       
CONECT   46   45   45   47   48                                       
CONECT   47   46  107  108  109                                       
CONECT   48   46  110  111  112                                       
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   42                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   47                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
CONECT  111   48                                                      
CONECT  112   48                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
