COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.434  -6.329  -0.094  1.00  0.00           C  
HETATM    2  C   UNL     1      11.530  -5.226  -0.650  1.00  0.00           C  
HETATM    3  C   UNL     1      11.309  -4.158   0.422  1.00  0.00           C  
HETATM    4  C   UNL     1      12.619  -3.480   0.733  1.00  0.00           C  
HETATM    5  C   UNL     1      10.323  -3.136  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1       8.717  -0.970  -0.194  1.00  0.00           C  
HETATM    7  C   UNL     1       8.173   0.281   0.498  1.00  0.00           C  
HETATM    8  C   UNL     1       6.625   2.097   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1       5.715   2.757  -0.857  1.00  0.00           C  
HETATM   10  C   UNL     1       5.108   3.890  -0.457  1.00  0.00           C  
HETATM   11  C   UNL     1       3.618   5.664  -0.893  1.00  0.00           C  
HETATM   12  C   UNL     1       2.577   6.311  -1.770  1.00  0.00           C  
HETATM   13  C   UNL     1       1.336   5.418  -1.832  1.00  0.00           C  
HETATM   14  C   UNL     1       0.227   6.138  -2.602  1.00  0.00           C  
HETATM   15  C   UNL     1       1.684   4.109  -2.544  1.00  0.00           C  
HETATM   16  C   UNL     1       0.855   5.114  -0.412  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.650   0.685   0.858  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.048  -0.427  -0.115  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.388  -1.064   0.316  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.211  -2.564  -0.007  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.786  -2.656  -0.595  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.300  -4.033   0.910  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.457  -5.999   0.009  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.249  -5.125  -0.754  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.827  -6.875  -2.127  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.393  -7.348  -0.380  1.00  0.00           C  
HETATM   27  N   UNL     1       7.233   0.963  -0.395  1.00  0.00           N  
HETATM   28  N   UNL     1       4.226   4.530  -1.294  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.133  -3.894  -0.160  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.901  -5.268   1.005  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.911  -5.602  -1.803  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.091  -7.733  -1.444  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.621  -8.253   0.326  1.00  0.00           N  
HETATM   34  O   UNL     1      12.667  -2.502   1.651  1.00  0.00           O  
HETATM   35  O   UNL     1      13.626  -3.818   0.156  1.00  0.00           O  
HETATM   36  O   UNL     1       9.844  -3.252  -1.191  1.00  0.00           O  
HETATM   37  O   UNL     1       6.857   2.555   1.110  1.00  0.00           O  
HETATM   38  O   UNL     1       3.908   6.163   0.173  1.00  0.00           O  
HETATM   39  O   UNL     1      -0.304   4.280  -0.470  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.458   4.921   1.681  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.115   2.784   1.684  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.404   2.961   0.404  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.468   2.154   2.546  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.764   3.828   1.171  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.473   1.338   0.379  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.092  -1.507  -0.062  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.179  -2.986  -0.970  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.470  -0.513  -0.438  1.00  0.00           O  
HETATM   49  O   UNL     1     -10.794   0.630  -0.887  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.329  -0.600   1.268  1.00  0.00           O  
HETATM   51  O   UNL     1      -9.173   1.619   0.931  1.00  0.00           O  
HETATM   52  O   UNL     1       2.221   7.584  -1.226  1.00  0.00           O  
HETATM   53  P   UNL     1      -1.079   3.762   0.843  1.00  0.00           P  
HETATM   54  P   UNL     1      -3.771   2.561   1.155  1.00  0.00           P  
HETATM   55  P   UNL     1      -9.705   0.265   0.241  1.00  0.00           P  
HETATM   56  S   UNL     1       9.879  -1.813   0.909  1.00  0.00           S  
HETATM   57  H   UNL     1      13.393  -5.900   0.195  1.00  0.00           H  
HETATM   58  H   UNL     1      11.960  -6.781   0.778  1.00  0.00           H  
HETATM   59  H   UNL     1      12.591  -7.090  -0.858  1.00  0.00           H  
HETATM   60  H   UNL     1      12.004  -4.774  -1.522  1.00  0.00           H  
HETATM   61  H   UNL     1      10.571  -5.655  -0.940  1.00  0.00           H  
HETATM   62  H   UNL     1      10.918  -4.625   1.326  1.00  0.00           H  
HETATM   63  H   UNL     1       7.892  -1.641  -0.434  1.00  0.00           H  
HETATM   64  H   UNL     1       9.230  -0.683  -1.112  1.00  0.00           H  
HETATM   65  H   UNL     1       7.660  -0.006   1.416  1.00  0.00           H  
HETATM   66  H   UNL     1       8.998   0.952   0.737  1.00  0.00           H  
HETATM   67  H   UNL     1       5.509   2.351  -1.837  1.00  0.00           H  
HETATM   68  H   UNL     1       5.314   4.296   0.522  1.00  0.00           H  
HETATM   69  H   UNL     1       2.979   6.444  -2.774  1.00  0.00           H  
HETATM   70  H   UNL     1       0.547   6.301  -3.632  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.676   5.528  -2.595  1.00  0.00           H  
HETATM   72  H   UNL     1       0.021   7.099  -2.130  1.00  0.00           H  
HETATM   73  H   UNL     1       2.390   3.543  -1.937  1.00  0.00           H  
HETATM   74  H   UNL     1       0.777   3.522  -2.690  1.00  0.00           H  
HETATM   75  H   UNL     1       2.133   4.331  -3.512  1.00  0.00           H  
HETATM   76  H   UNL     1       1.644   4.601   0.137  1.00  0.00           H  
HETATM   77  H   UNL     1       0.606   6.046   0.095  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.461   1.409   0.934  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.453   0.256   1.840  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.124  -0.034  -1.129  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.553  -0.920   1.384  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.292  -3.162   0.901  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.821  -2.609  -1.684  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.009  -3.234   1.577  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.379  -7.231  -2.984  1.00  0.00           H  
HETATM   86  H   UNL     1       7.048   0.599  -1.274  1.00  0.00           H  
HETATM   87  H   UNL     1       4.041   4.165  -2.174  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.116  -7.960   1.100  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.586  -9.182   0.047  1.00  0.00           H  
HETATM   90  H   UNL     1      13.530  -2.098   1.817  1.00  0.00           H  
HETATM   91  H   UNL     1       0.174   2.001   1.196  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.006   4.149   0.292  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.113  -3.921  -1.210  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.568   1.102  -0.549  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.751   2.234   0.316  1.00  0.00           H  
HETATM   96  H   UNL     1       1.855   7.541  -0.332  1.00  0.00           H  
CONECT    1    2   57   58   59                                       
CONECT    2    1    3   60   61                                       
CONECT    3    4    5    2   62                                       
CONECT    4   35   35   34    3                                       
CONECT    5   36   36   56    3                                       
CONECT    6    7   56   63   64                                       
CONECT    7   27    6   65   66                                       
CONECT    8   37   37    9   27                                       
CONECT    9   10   10    8   67                                       
CONECT   10   28    9    9   68                                       
CONECT   11   38   38   12   28                                       
CONECT   12   11   52   13   69                                       
CONECT   13   12   14   16   15                                       
CONECT   14   13   70   71   72                                       
CONECT   15   13   73   74   75                                       
CONECT   16   39   13   76   77                                       
CONECT   17   18   45   78   79                                       
CONECT   18   17   19   46   80                                       
CONECT   19   48   18   20   81                                       
CONECT   20   19   21   47   82                                       
CONECT   21   46   20   29   83                                       
CONECT   22   29   30   30   84                                       
CONECT   23   24   30   26   26                                       
CONECT   24   31   31   29   23                                       
CONECT   25   31   32   32   85                                       
CONECT   26   23   23   32   33                                       
CONECT   27    8    7   86                                            
CONECT   28   11   10   87                                            
CONECT   29   21   24   22                                            
CONECT   30   22   22   23                                            
CONECT   31   24   24   25                                            
CONECT   32   25   25   26                                            
CONECT   33   26   88   89                                            
CONECT   34    4   90                                                 
CONECT   35    4    4                                                 
CONECT   36    5    5                                                 
CONECT   37    8    8                                                 
CONECT   38   11   11                                                 
CONECT   39   53   16                                                 
CONECT   40   53   53                                                 
CONECT   41   53   91                                                 
CONECT   42   53   54                                                 
CONECT   43   54   54                                                 
CONECT   44   54   92                                                 
CONECT   45   17   54                                                 
CONECT   46   18   21                                                 
CONECT   47   20   93                                                 
CONECT   48   55   19                                                 
CONECT   49   55   94                                                 
CONECT   50   55   55                                                 
CONECT   51   55   95                                                 
CONECT   52   12   96                                                 
CONECT   53   40   40   41   39                                       
CONECT   53   42                                                      
CONECT   54   45   42   43   43                                       
CONECT   54   44                                                      
CONECT   55   50   50   49   51                                       
CONECT   55   48                                                      
CONECT   56    6    5                                                 
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   12                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   25                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   41                                                      
CONECT   92   44                                                      
CONECT   93   47                                                      
CONECT   94   49                                                      
CONECT   95   51                                                      
CONECT   96   52                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
