COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.455  -4.221   0.050  1.00  0.00           C  
HETATM    2  C   UNL     1     -14.366  -3.096  -0.445  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.798  -3.617  -0.571  1.00  0.00           C  
HETATM    4  C   UNL     1     -14.331  -1.936   0.553  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.925  -1.334   0.587  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.891  -0.175   1.584  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.506   0.419   1.618  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.448  -0.186   2.505  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.221   1.460   0.876  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.807   1.977   0.813  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.298   1.898  -0.627  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.884   2.415  -0.690  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.628   3.893  -0.833  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.857   1.563  -0.618  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.527   2.049  -0.676  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.483   1.183  -0.603  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.163   1.665  -0.661  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.907   3.144  -0.804  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.115   0.795  -0.587  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.799   1.276  -0.646  1.00  0.00           C  
HETATM   21  C   UNL     1       0.259   0.399  -0.571  1.00  0.00           C  
HETATM   22  C   UNL     1       1.573   0.879  -0.629  1.00  0.00           C  
HETATM   23  C   UNL     1       2.631   0.001  -0.555  1.00  0.00           C  
HETATM   24  C   UNL     1       2.375  -1.477  -0.412  1.00  0.00           C  
HETATM   25  C   UNL     1       3.945   0.482  -0.613  1.00  0.00           C  
HETATM   26  C   UNL     1       5.003  -0.396  -0.539  1.00  0.00           C  
HETATM   27  C   UNL     1       6.319   0.086  -0.597  1.00  0.00           C  
HETATM   28  C   UNL     1       7.367  -0.785  -0.523  1.00  0.00           C  
HETATM   29  C   UNL     1       7.111  -2.263  -0.380  1.00  0.00           C  
HETATM   30  C   UNL     1       8.687  -0.302  -0.581  1.00  0.00           C  
HETATM   31  C   UNL     1       9.731  -1.168  -0.508  1.00  0.00           C  
HETATM   32  C   UNL     1      11.061  -0.682  -0.567  1.00  0.00           C  
HETATM   33  C   UNL     1      12.088  -1.534  -0.495  1.00  0.00           C  
HETATM   34  C   UNL     1      11.832  -3.012  -0.351  1.00  0.00           C  
HETATM   35  C   UNL     1      13.502  -1.017  -0.557  1.00  0.00           C  
HETATM   36  C   UNL     1      14.037  -0.823   0.863  1.00  0.00           C  
HETATM   37  C   UNL     1      15.451  -0.306   0.801  1.00  0.00           C  
HETATM   38  C   UNL     1      15.757   0.837   1.365  1.00  0.00           C  
HETATM   39  C   UNL     1      14.671   1.698   1.957  1.00  0.00           C  
HETATM   40  C   UNL     1      17.193   1.289   1.421  1.00  0.00           C  
HETATM   41  H   UNL     1     -13.479  -5.047  -0.661  1.00  0.00           H  
HETATM   42  H   UNL     1     -12.434  -3.850   0.140  1.00  0.00           H  
HETATM   43  H   UNL     1     -13.802  -4.569   1.023  1.00  0.00           H  
HETATM   44  H   UNL     1     -14.018  -2.748  -1.418  1.00  0.00           H  
HETATM   45  H   UNL     1     -16.146  -3.965   0.402  1.00  0.00           H  
HETATM   46  H   UNL     1     -16.447  -2.815  -0.924  1.00  0.00           H  
HETATM   47  H   UNL     1     -15.823  -4.443  -1.282  1.00  0.00           H  
HETATM   48  H   UNL     1     -15.046  -1.173   0.247  1.00  0.00           H  
HETATM   49  H   UNL     1     -14.593  -2.303   1.545  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.210  -2.098   0.892  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.663  -0.967  -0.406  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.606   0.589   1.279  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.153  -0.541   2.577  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.890  -0.980   3.107  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.650  -0.599   1.888  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.040   0.583   3.160  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.000   1.948   0.308  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.784   3.013   1.151  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.170   1.371   1.458  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.321   0.862  -0.964  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.557   4.347   0.155  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.694   4.049  -1.373  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.448   4.352  -1.385  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.041   0.504  -0.515  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.343   3.109  -0.779  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.666   0.124  -0.500  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.836   3.598   0.184  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.973   3.300  -1.344  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.727   3.602  -1.357  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.298  -0.264  -0.485  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.615   2.336  -0.748  1.00  0.00           H  
HETATM   72  H   UNL     1       0.075  -0.660  -0.468  1.00  0.00           H  
HETATM   73  H   UNL     1       1.757   1.939  -0.732  1.00  0.00           H  
HETATM   74  H   UNL     1       2.304  -1.931  -1.400  1.00  0.00           H  
HETATM   75  H   UNL     1       3.195  -1.936   0.141  1.00  0.00           H  
HETATM   76  H   UNL     1       1.441  -1.633   0.128  1.00  0.00           H  
HETATM   77  H   UNL     1       4.129   1.541  -0.716  1.00  0.00           H  
HETATM   78  H   UNL     1       4.819  -1.455  -0.436  1.00  0.00           H  
HETATM   79  H   UNL     1       6.502   1.145  -0.700  1.00  0.00           H  
HETATM   80  H   UNL     1       7.040  -2.717  -1.368  1.00  0.00           H  
HETATM   81  H   UNL     1       7.931  -2.721   0.173  1.00  0.00           H  
HETATM   82  H   UNL     1       6.177  -2.419   0.160  1.00  0.00           H  
HETATM   83  H   UNL     1       8.870   0.757  -0.684  1.00  0.00           H  
HETATM   84  H   UNL     1       9.547  -2.228  -0.405  1.00  0.00           H  
HETATM   85  H   UNL     1      11.245   0.377  -0.669  1.00  0.00           H  
HETATM   86  H   UNL     1      11.761  -3.466  -1.340  1.00  0.00           H  
HETATM   87  H   UNL     1      12.652  -3.471   0.201  1.00  0.00           H  
HETATM   88  H   UNL     1      10.898  -3.169   0.188  1.00  0.00           H  
HETATM   89  H   UNL     1      14.129  -1.735  -1.086  1.00  0.00           H  
HETATM   90  H   UNL     1      13.517  -0.063  -1.084  1.00  0.00           H  
HETATM   91  H   UNL     1      13.411  -0.105   1.393  1.00  0.00           H  
HETATM   92  H   UNL     1      14.022  -1.777   1.391  1.00  0.00           H  
HETATM   93  H   UNL     1      16.213  -0.877   0.292  1.00  0.00           H  
HETATM   94  H   UNL     1      14.462   1.369   2.976  1.00  0.00           H  
HETATM   95  H   UNL     1      14.999   2.737   1.971  1.00  0.00           H  
HETATM   96  H   UNL     1      13.768   1.610   1.354  1.00  0.00           H  
HETATM   97  H   UNL     1      17.828   0.542   0.946  1.00  0.00           H  
HETATM   98  H   UNL     1      17.295   2.240   0.896  1.00  0.00           H  
HETATM   99  H   UNL     1      17.494   1.414   2.461  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.936   2.504  -1.271  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    4    3    1   44                                       
CONECT    3    2   45   46   47                                       
CONECT    4    5    2   48   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    7    5   52   53                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   54   55   56                                       
CONECT    9   10    7    7   57                                       
CONECT   10   11    9   58   59                                       
CONECT   11   12   10   60  100                                       
CONECT   12   14   14   11   13                                       
CONECT   13   12   61   62   63                                       
CONECT   14   15   12   12   64                                       
CONECT   15   16   16   14   65                                       
CONECT   16   17   15   15   66                                       
CONECT   17   19   19   18   16                                       
CONECT   18   17   67   68   69                                       
CONECT   19   20   17   17   70                                       
CONECT   20   21   21   19   71                                       
CONECT   21   22   20   20   72                                       
CONECT   22   23   23   21   73                                       
CONECT   23   25   24   22   22                                       
CONECT   24   23   74   75   76                                       
CONECT   25   26   26   23   77                                       
CONECT   26   27   25   25   78                                       
CONECT   27   28   28   26   79                                       
CONECT   28   30   29   27   27                                       
CONECT   29   28   80   81   82                                       
CONECT   30   31   31   28   83                                       
CONECT   31   32   30   30   84                                       
CONECT   32   33   33   31   85                                       
CONECT   33   35   34   32   32                                       
CONECT   34   33   86   87   88                                       
CONECT   35   36   33   89   90                                       
CONECT   36   37   35   91   92                                       
CONECT   37   38   38   36   93                                       
CONECT   38   40   37   37   39                                       
CONECT   39   38   94   95   96                                       
CONECT   40   38   97   98   99                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   11                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
