COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.172   0.303  -0.846  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.306  -1.740  -4.225  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.027  -0.272   0.305  1.00  0.00           C  
HETATM    4  C   UNL     1      10.271  -1.955  -0.248  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.003  -0.553   1.428  1.00  0.00           C  
HETATM    6  C   UNL     1       9.702  -0.647   0.307  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.581  -1.281  -2.777  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.652  -0.115   0.822  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.803  -2.266  -3.409  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.777   0.542   1.893  1.00  0.00           C  
HETATM   11  C   UNL     1       7.996   0.986  -0.291  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.368  -2.965  -4.490  1.00  0.00           C  
HETATM   13  C   UNL     1       6.909   1.489  -1.206  1.00  0.00           C  
HETATM   14  C   UNL     1       6.340   2.796  -0.651  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.598  -1.411  -1.822  1.00  0.00           C  
HETATM   16  C   UNL     1       4.634   4.430  -1.249  1.00  0.00           C  
HETATM   17  C   UNL     1      12.027  -3.987   0.021  1.00  0.00           C  
HETATM   18  C   UNL     1      13.120  -4.865   0.571  1.00  0.00           C  
HETATM   19  C   UNL     1      14.434  -6.959   0.205  1.00  0.00           C  
HETATM   20  C   UNL     1      13.324  -6.067  -0.354  1.00  0.00           C  
HETATM   21  C   UNL     1       3.466   4.870  -2.095  1.00  0.00           C  
HETATM   22  C   UNL     1       2.277   3.939  -1.846  1.00  0.00           C  
HETATM   23  C   UNL     1       1.969   3.895  -0.348  1.00  0.00           C  
HETATM   24  C   UNL     1       1.054   4.461  -2.603  1.00  0.00           C  
HETATM   25  C   UNL     1       2.619   2.532  -2.339  1.00  0.00           C  
HETATM   26  N   UNL     1      -8.612  -2.672  -4.853  1.00  0.00           N  
HETATM   27  N   UNL     1      -8.815  -1.054  -3.215  1.00  0.00           N  
HETATM   28  N   UNL     1       8.645  -0.159  -0.582  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.648  -3.943  -5.154  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.605  -2.294  -2.777  1.00  0.00           N  
HETATM   31  N   UNL     1       5.283   3.285  -1.540  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.795  -0.759  -1.781  1.00  0.00           N  
HETATM   33  O   UNL     1      -2.803   2.802   2.765  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.853   0.546   3.379  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.667  -1.482  -0.104  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.058   1.825   1.224  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.981  -1.946   1.747  1.00  0.00           O  
HETATM   38  O   UNL     1       1.362   1.975   2.241  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.999   0.844  -0.200  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.091   4.025   1.998  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.490   0.834   1.343  1.00  0.00           O  
HETATM   42  O   UNL     1       8.287   1.612   0.706  1.00  0.00           O  
HETATM   43  O   UNL     1       0.859   3.026  -0.116  1.00  0.00           O  
HETATM   44  O   UNL     1      -6.157  -2.007   4.243  1.00  0.00           O  
HETATM   45  O   UNL     1      -8.615  -2.018   3.670  1.00  0.00           O  
HETATM   46  O   UNL     1      -7.307  -4.122   3.186  1.00  0.00           O  
HETATM   47  O   UNL     1       4.989   5.106  -0.308  1.00  0.00           O  
HETATM   48  O   UNL     1      11.465  -4.291  -1.011  1.00  0.00           O  
HETATM   49  O   UNL     1       3.104   6.208  -1.748  1.00  0.00           O  
HETATM   50  P   UNL     1      -2.312   1.530   2.190  1.00  0.00           P  
HETATM   51  P   UNL     1       0.260   2.741   1.351  1.00  0.00           P  
HETATM   52  P   UNL     1      -7.294  -2.512   3.221  1.00  0.00           P  
HETATM   53  S   UNL     1      11.577  -2.558   0.851  1.00  0.00           S  
HETATM   54  H   UNL     1      -7.717   1.092  -1.366  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.313  -1.531  -4.556  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.765   0.459   0.635  1.00  0.00           H  
HETATM   57  H   UNL     1       9.477  -2.699  -0.311  1.00  0.00           H  
HETATM   58  H   UNL     1      10.684  -1.778  -1.241  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.237   0.037   2.314  1.00  0.00           H  
HETATM   60  H   UNL     1       9.289  -0.823   1.300  1.00  0.00           H  
HETATM   61  H   UNL     1      10.496   0.097   0.371  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.137  -0.970   0.384  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.246   1.466   2.229  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.665  -0.138   2.737  1.00  0.00           H  
HETATM   65  H   UNL     1       7.322   1.665  -2.199  1.00  0.00           H  
HETATM   66  H   UNL     1       6.115   0.745  -1.269  1.00  0.00           H  
HETATM   67  H   UNL     1       5.926   2.620   0.342  1.00  0.00           H  
HETATM   68  H   UNL     1       7.134   3.540  -0.587  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.767  -1.222  -1.159  1.00  0.00           H  
HETATM   70  H   UNL     1      14.047  -4.295   0.635  1.00  0.00           H  
HETATM   71  H   UNL     1      12.840  -5.215   1.565  1.00  0.00           H  
HETATM   72  H   UNL     1      14.153  -7.309   1.198  1.00  0.00           H  
HETATM   73  H   UNL     1      14.579  -7.815  -0.454  1.00  0.00           H  
HETATM   74  H   UNL     1      15.361  -6.389   0.269  1.00  0.00           H  
HETATM   75  H   UNL     1      12.397  -6.637  -0.418  1.00  0.00           H  
HETATM   76  H   UNL     1      13.604  -5.717  -1.348  1.00  0.00           H  
HETATM   77  H   UNL     1       3.745   4.830  -3.148  1.00  0.00           H  
HETATM   78  H   UNL     1       2.841   3.523   0.191  1.00  0.00           H  
HETATM   79  H   UNL     1       1.725   4.897   0.003  1.00  0.00           H  
HETATM   80  H   UNL     1       0.186   3.849  -2.357  1.00  0.00           H  
HETATM   81  H   UNL     1       0.863   5.495  -2.316  1.00  0.00           H  
HETATM   82  H   UNL     1       1.242   4.411  -3.676  1.00  0.00           H  
HETATM   83  H   UNL     1       1.740   1.893  -2.253  1.00  0.00           H  
HETATM   84  H   UNL     1       2.935   2.578  -3.381  1.00  0.00           H  
HETATM   85  H   UNL     1       3.427   2.121  -1.733  1.00  0.00           H  
HETATM   86  H   UNL     1       8.412  -0.659  -1.380  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.051  -4.424  -5.894  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.741  -4.148  -4.879  1.00  0.00           H  
HETATM   89  H   UNL     1       5.050   2.784  -2.338  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.519  -0.309   3.075  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.276  -1.374  -0.847  1.00  0.00           H  
HETATM   92  H   UNL     1       1.640   1.124   1.876  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.263  -2.295   4.011  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.490  -4.533   4.042  1.00  0.00           H  
HETATM   95  H   UNL     1       2.844   6.318  -0.823  1.00  0.00           H  
CONECT    1   32    3   39   54                                       
CONECT    2   26   27   27   55                                       
CONECT    3   35    1    5   56                                       
CONECT    4   53    6   57   58                                       
CONECT    5    3    8   37   59                                       
CONECT    6    4   28   60   61                                       
CONECT    7    9    9   27   32                                       
CONECT    8   39    5   10   62                                       
CONECT    9   12   30    7    7                                       
CONECT   10    8   41   63   64                                       
CONECT   11   28   13   42   42                                       
CONECT   12   29   26   26    9                                       
CONECT   13   11   14   65   66                                       
CONECT   14   13   31   67   68                                       
CONECT   15   30   30   32   69                                       
CONECT   16   31   21   47   47                                       
CONECT   17   18   53   48   48                                       
CONECT   18   20   17   70   71                                       
CONECT   19   20   72   73   74                                       
CONECT   20   19   18   75   76                                       
CONECT   21   22   49   16   77                                       
CONECT   22   24   25   23   21                                       
CONECT   23   22   43   78   79                                       
CONECT   24   22   80   81   82                                       
CONECT   25   22   83   84   85                                       
CONECT   26   12   12    2                                            
CONECT   27    2    2    7                                            
CONECT   28    6   11   86                                            
CONECT   29   12   87   88                                            
CONECT   30    9   15   15                                            
CONECT   31   14   16   89                                            
CONECT   32   15    7    1                                            
CONECT   33   50   50                                                 
CONECT   34   50   90                                                 
CONECT   35    3   91                                                 
CONECT   36   50   51                                                 
CONECT   37    5   52                                                 
CONECT   38   51   92                                                 
CONECT   39    1    8                                                 
CONECT   40   51   51                                                 
CONECT   41   50   10                                                 
CONECT   42   11   11                                                 
CONECT   43   23   51                                                 
CONECT   44   52   93                                                 
CONECT   45   52   52                                                 
CONECT   46   52   94                                                 
CONECT   47   16   16                                                 
CONECT   48   17   17                                                 
CONECT   49   21   95                                                 
CONECT   50   33   33   34   36                                       
CONECT   50   41                                                      
CONECT   51   40   40   43   36                                       
CONECT   51   38                                                      
CONECT   52   37   45   45   44                                       
CONECT   52   46                                                      
CONECT   53   17    4                                                 
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   31                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   38                                                      
CONECT   93   44                                                      
CONECT   94   46                                                      
CONECT   95   49                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
