COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.036  -1.573   0.144  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.344  -0.780   0.708  1.00  0.00           C  
HETATM    3  C   UNL     1       1.083  -0.401   0.311  1.00  0.00           C  
HETATM    4  C   UNL     1       3.372  -1.088  -0.435  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.841  -1.833  -0.280  1.00  0.00           C  
HETATM    6  C   UNL     1       1.444  -2.680  -0.717  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.316  -2.161  -0.203  1.00  0.00           C  
HETATM    8  C   UNL     1       0.049  -3.072  -0.204  1.00  0.00           C  
HETATM    9  C   UNL     1       3.911   0.070   0.348  1.00  0.00           C  
HETATM   10  C   UNL     1       5.377   0.456   0.265  1.00  0.00           C  
HETATM   11  C   UNL     1       6.229  -0.809   0.334  1.00  0.00           C  
HETATM   12  C   UNL     1       4.359  -2.245  -0.525  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.223   0.475   0.549  1.00  0.00           C  
HETATM   14  C   UNL     1       5.790  -1.764  -0.772  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.179  -0.898  -0.189  1.00  0.00           C  
HETATM   16  C   UNL     1       1.701   0.590   1.269  1.00  0.00           C  
HETATM   17  C   UNL     1       2.369  -2.165   1.524  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.681   0.119   0.829  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.434  -1.239   2.157  1.00  0.00           C  
HETATM   20  C   UNL     1       3.102  -0.600  -1.865  1.00  0.00           C  
HETATM   21  C   UNL     1       3.145   0.827   1.141  1.00  0.00           C  
HETATM   22  C   UNL     1       5.644   1.224  -1.023  1.00  0.00           C  
HETATM   23  C   UNL     1       7.709  -0.462   0.188  1.00  0.00           C  
HETATM   24  C   UNL     1       7.124   1.579  -1.161  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.674  -3.058   0.979  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.703  -2.932  -1.491  1.00  0.00           C  
HETATM   27  C   UNL     1       7.972   0.311  -1.097  1.00  0.00           C  
HETATM   28  C   UNL     1       6.034  -1.471   1.704  1.00  0.00           C  
HETATM   29  C   UNL     1       7.341   2.249  -2.527  1.00  0.00           C  
HETATM   30  C   UNL     1       7.536   2.544  -0.081  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.511  -0.400  -0.460  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.909  -0.948  -0.165  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.957   0.009  -0.741  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.310   1.861  -0.440  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.741   1.403  -0.144  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.071   3.207   0.195  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.529  -1.260   0.123  1.00  0.00           O  
HETATM   38  O   UNL     1       1.061   1.196   2.105  1.00  0.00           O  
HETATM   39  O   UNL     1       8.802   2.985  -0.022  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.387   0.910   0.096  1.00  0.00           O  
HETATM   41  O   UNL     1       6.726   2.921   0.732  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.055  -2.236  -0.768  1.00  0.00           O  
HETATM   43  O   UNL     1      -9.266  -0.456  -0.406  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.667   2.322  -0.729  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.757   4.280  -0.229  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.262   3.319   1.085  1.00  0.00           O  
HETATM   47  H   UNL     1       0.990   0.118  -0.670  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.668  -1.398  -1.295  1.00  0.00           H  
HETATM   49  H   UNL     1       1.337  -2.366  -1.754  1.00  0.00           H  
HETATM   50  H   UNL     1       2.089  -3.561  -0.679  1.00  0.00           H  
HETATM   51  H   UNL     1       0.115  -3.458   0.804  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.339  -3.857  -0.858  1.00  0.00           H  
HETATM   53  H   UNL     1       5.613   1.089   1.130  1.00  0.00           H  
HETATM   54  H   UNL     1       4.342  -2.903   0.331  1.00  0.00           H  
HETATM   55  H   UNL     1       4.071  -2.864  -1.397  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.891   1.237   1.251  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.124   0.847  -0.470  1.00  0.00           H  
HETATM   58  H   UNL     1       5.854  -1.269  -1.740  1.00  0.00           H  
HETATM   59  H   UNL     1       6.457  -2.632  -0.780  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.162  -0.448  -1.187  1.00  0.00           H  
HETATM   61  H   UNL     1       2.702  -1.370   2.190  1.00  0.00           H  
HETATM   62  H   UNL     1       1.479  -2.638   1.941  1.00  0.00           H  
HETATM   63  H   UNL     1       3.160  -2.908   1.420  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.809  -0.255   1.840  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.285   1.034   0.736  1.00  0.00           H  
HETATM   66  H   UNL     1       0.166  -0.580   2.785  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.473  -1.205   2.485  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.060  -2.259   2.239  1.00  0.00           H  
HETATM   69  H   UNL     1       2.499   0.308  -1.832  1.00  0.00           H  
HETATM   70  H   UNL     1       4.049  -0.389  -2.362  1.00  0.00           H  
HETATM   71  H   UNL     1       2.567  -1.372  -2.418  1.00  0.00           H  
HETATM   72  H   UNL     1       3.601   1.633   1.699  1.00  0.00           H  
HETATM   73  H   UNL     1       5.363   0.621  -1.888  1.00  0.00           H  
HETATM   74  H   UNL     1       5.053   2.143  -1.031  1.00  0.00           H  
HETATM   75  H   UNL     1       8.031   0.118   1.053  1.00  0.00           H  
HETATM   76  H   UNL     1       8.287  -1.394   0.172  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.689  -3.436   0.854  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.978  -3.896   1.024  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.612  -2.484   1.903  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.501  -2.309  -2.362  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.117  -3.849  -1.556  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.764  -3.181  -1.460  1.00  0.00           H  
HETATM   83  H   UNL     1       9.031   0.586  -1.143  1.00  0.00           H  
HETATM   84  H   UNL     1       7.744  -0.321  -1.959  1.00  0.00           H  
HETATM   85  H   UNL     1       4.983  -1.729   1.836  1.00  0.00           H  
HETATM   86  H   UNL     1       6.639  -2.376   1.760  1.00  0.00           H  
HETATM   87  H   UNL     1       6.340  -0.780   2.488  1.00  0.00           H  
HETATM   88  H   UNL     1       6.735   3.153  -2.589  1.00  0.00           H  
HETATM   89  H   UNL     1       8.394   2.509  -2.641  1.00  0.00           H  
HETATM   90  H   UNL     1       7.049   1.560  -3.320  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.359  -0.354  -1.538  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.047  -1.033   0.913  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.851   0.056  -1.825  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.169   1.937  -1.518  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.896   1.366   0.934  1.00  0.00           H  
HETATM   96  H   UNL     1       9.019   3.603   0.689  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.419  -2.892  -0.452  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.980   0.104  -0.740  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.586   3.226  -0.396  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.570   5.121   0.208  1.00  0.00           H  
CONECT    1    6    3   17    4                                       
CONECT    2    5   13   19    3                                       
CONECT    3    2    1   16   47                                       
CONECT    4    1   20   12    9                                       
CONECT    5    7    8    2   48                                       
CONECT    6    8    1   49   50                                       
CONECT    7   26   25   15    5                                       
CONECT    8    5    6   51   52                                       
CONECT    9    4   21   21   10                                       
CONECT   10    9   22   11   53                                       
CONECT   11   14   10   28   23                                       
CONECT   12    4   14   54   55                                       
CONECT   13   18    2   56   57                                       
CONECT   14   12   11   58   59                                       
CONECT   15   37    7   18   60                                       
CONECT   16    3   38   38   21                                       
CONECT   17    1   61   62   63                                       
CONECT   18   15   13   64   65                                       
CONECT   19    2   66   67   68                                       
CONECT   20    4   69   70   71                                       
CONECT   21   16    9    9   72                                       
CONECT   22   10   24   73   74                                       
CONECT   23   11   27   75   76                                       
CONECT   24   22   29   27   30                                       
CONECT   25    7   77   78   79                                       
CONECT   26    7   80   81   82                                       
CONECT   27   23   24   83   84                                       
CONECT   28   11   85   86   87                                       
CONECT   29   24   88   89   90                                       
CONECT   30   24   41   41   39                                       
CONECT   31   32   37   40   91                                       
CONECT   32   42   33   31   92                                       
CONECT   33   43   32   35   93                                       
CONECT   34   35   40   36   94                                       
CONECT   35   33   44   34   95                                       
CONECT   36   34   46   46   45                                       
CONECT   37   31   15                                                 
CONECT   38   16   16                                                 
CONECT   39   30   96                                                 
CONECT   40   31   34                                                 
CONECT   41   30   30                                                 
CONECT   42   32   97                                                 
CONECT   43   33   98                                                 
CONECT   44   35   99                                                 
CONECT   45   36  100                                                 
CONECT   46   36   36                                                 
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   39                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
