COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.980  -0.496  -0.065  1.00  0.00           C  
HETATM    2  C   UNL     1       1.825   0.256  -0.063  1.00  0.00           C  
HETATM    3  C   UNL     1       4.228   0.138  -0.065  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.776   0.723  -0.057  1.00  0.00           C  
HETATM    5  C   UNL     1       0.578  -0.377  -0.063  1.00  0.00           C  
HETATM    6  C   UNL     1      11.613  -0.572   2.380  1.00  0.00           C  
HETATM    7  C   UNL     1      10.168  -0.829  -0.070  1.00  0.00           C  
HETATM    8  C   UNL     1       9.029  -0.088  -0.068  1.00  0.00           C  
HETATM    9  C   UNL     1       7.776  -0.724  -0.068  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.578   0.375  -0.062  1.00  0.00           C  
HETATM   11  C   UNL     1       6.632   0.021  -0.067  1.00  0.00           C  
HETATM   12  C   UNL     1       5.382  -0.614  -0.067  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.626   0.568   2.384  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.387   0.517   1.058  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.482  -0.549   1.142  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.899   1.999  -0.058  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.064  -0.761  -0.261  1.00  0.00           C  
HETATM   18  C   UNL     1     -12.995  -1.417  -1.137  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.702  -0.664  -1.026  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.432   0.186  -0.052  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.695   2.227  -0.055  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.168   0.828  -0.055  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.029   0.086  -0.057  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.825  -0.258  -0.062  1.00  0.00           C  
HETATM   25  C   UNL     1     -13.026   1.880   0.787  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.980   0.494  -0.060  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.228  -0.140  -0.060  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.382   0.612  -0.058  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.632  -0.023  -0.059  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.652  -0.893  -2.083  1.00  0.00           C  
HETATM   31  C   UNL     1      10.664   0.900  -2.088  1.00  0.00           C  
HETATM   32  C   UNL     1      11.707   0.669  -1.026  1.00  0.00           C  
HETATM   33  C   UNL     1      11.432  -0.188  -0.056  1.00  0.00           C  
HETATM   34  C   UNL     1      12.382  -0.517   1.058  1.00  0.00           C  
HETATM   35  C   UNL     1      13.475   0.549   1.151  1.00  0.00           C  
HETATM   36  C   UNL     1      14.065   0.765  -0.248  1.00  0.00           C  
HETATM   37  C   UNL     1      13.003   1.418  -1.132  1.00  0.00           C  
HETATM   38  O   UNL     1      15.209   1.617  -0.160  1.00  0.00           O  
HETATM   39  C   UNL     1      13.026  -1.879   0.789  1.00  0.00           C  
HETATM   40  O   UNL     1     -15.212  -1.609  -0.181  1.00  0.00           O  
HETATM   41  C   UNL     1       2.899  -2.001  -0.061  1.00  0.00           C  
HETATM   42  C   UNL     1       7.695  -2.229  -0.070  1.00  0.00           C  
HETATM   43  H   UNL     1       1.883   1.335  -0.062  1.00  0.00           H  
HETATM   44  H   UNL     1       4.286   1.216  -0.064  1.00  0.00           H  
HETATM   45  H   UNL     1       0.520  -1.456  -0.065  1.00  0.00           H  
HETATM   46  H   UNL     1      10.788  -1.279   2.292  1.00  0.00           H  
HETATM   47  H   UNL     1      12.284  -0.895   3.177  1.00  0.00           H  
HETATM   48  H   UNL     1      11.221   0.417   2.614  1.00  0.00           H  
HETATM   49  H   UNL     1      10.110  -1.908  -0.082  1.00  0.00           H  
HETATM   50  H   UNL     1       9.087   0.991  -0.067  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.520   1.454  -0.060  1.00  0.00           H  
HETATM   52  H   UNL     1       6.690   1.099  -0.065  1.00  0.00           H  
HETATM   53  H   UNL     1       5.324  -1.692  -0.068  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.299   0.895   3.177  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.241  -0.424   2.621  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.796   1.269   2.300  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.056  -1.484   1.506  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.267  -0.215   1.821  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.880   2.363  -1.085  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.768   2.409   0.457  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.991   2.313   0.456  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.348   0.200  -0.689  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.843  -2.447  -0.814  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.328  -1.412  -2.175  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.675   2.589   0.973  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.787   2.543  -0.569  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.564   2.638  -0.568  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.110   1.906  -0.057  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.087  -0.993  -0.058  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.883  -1.337  -0.063  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.248   2.641   0.732  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.569   1.846  -0.158  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.717   2.124   1.594  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.286  -1.218  -0.062  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.324   1.691  -0.057  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.689  -1.101  -0.060  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.030  -1.598  -2.823  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.415   0.053  -2.570  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.753  -1.299  -1.620  1.00  0.00           H  
HETATM   80  H   UNL     1      11.050   1.597  -2.831  1.00  0.00           H  
HETATM   81  H   UNL     1      10.421  -0.047  -2.571  1.00  0.00           H  
HETATM   82  H   UNL     1       9.766   1.316  -1.631  1.00  0.00           H  
HETATM   83  H   UNL     1      13.046   1.482   1.516  1.00  0.00           H  
HETATM   84  H   UNL     1      14.258   0.212   1.831  1.00  0.00           H  
HETATM   85  H   UNL     1      14.356  -0.195  -0.675  1.00  0.00           H  
HETATM   86  H   UNL     1      13.340   1.414  -2.168  1.00  0.00           H  
HETATM   87  H   UNL     1      12.853   2.448  -0.807  1.00  0.00           H  
HETATM   88  H   UNL     1      15.633   1.795  -1.010  1.00  0.00           H  
HETATM   89  H   UNL     1      12.250  -2.642   0.728  1.00  0.00           H  
HETATM   90  H   UNL     1      13.574  -1.842  -0.152  1.00  0.00           H  
HETATM   91  H   UNL     1      13.713  -2.122   1.600  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.631  -1.785  -1.035  1.00  0.00           H  
HETATM   93  H   UNL     1       2.877  -2.366  -1.087  1.00  0.00           H  
HETATM   94  H   UNL     1       3.770  -2.410   0.451  1.00  0.00           H  
HETATM   95  H   UNL     1       1.993  -2.315   0.457  1.00  0.00           H  
HETATM   96  H   UNL     1       7.675  -2.591  -1.098  1.00  0.00           H  
HETATM   97  H   UNL     1       8.564  -2.640   0.443  1.00  0.00           H  
HETATM   98  H   UNL     1       6.787  -2.545   0.444  1.00  0.00           H  
CONECT    1   41    2    2    3                                       
CONECT    2    1    1    5   43                                       
CONECT    3    1   12   12   44                                       
CONECT    4   29   29   23   21                                       
CONECT    5    2   10   10   45                                       
CONECT    6   34   46   47   48                                       
CONECT    7    8    8   33   49                                       
CONECT    8    9    7    7   50                                       
CONECT    9   42   11   11    8                                       
CONECT   10    5    5   24   51                                       
CONECT   11   12    9    9   52                                       
CONECT   12    3    3   11   53                                       
CONECT   13   14   54   55   56                                       
CONECT   14   15   20   13   25                                       
CONECT   15   17   14   57   58                                       
CONECT   16   26   59   60   61                                       
CONECT   17   40   18   15   62                                       
CONECT   18   19   17   63   64                                       
CONECT   19   30   18   20   20                                       
CONECT   20   19   19   14   22                                       
CONECT   21    4   65   66   67                                       
CONECT   22   20   23   23   68                                       
CONECT   23   22   22    4   69                                       
CONECT   24   10   26   26   70                                       
CONECT   25   14   71   72   73                                       
CONECT   26   24   24   27   16                                       
CONECT   27   26   28   28   74                                       
CONECT   28   27   27   29   75                                       
CONECT   29   28    4    4   76                                       
CONECT   30   19   77   78   79                                       
CONECT   31   32   80   81   82                                       
CONECT   32   31   33   33   37                                       
CONECT   33    7   32   32   34                                       
CONECT   34    6   33   35   39                                       
CONECT   35   34   36   83   84                                       
CONECT   36   37   35   38   85                                       
CONECT   37   32   36   86   87                                       
CONECT   38   36   88                                                 
CONECT   39   34   89   90   91                                       
CONECT   40   17   92                                                 
CONECT   41    1   93   94   95                                       
CONECT   42    9   96   97   98                                       
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
