COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.457   6.765  -1.580  1.00  0.00           C  
HETATM    2  C   UNL     1       7.545   4.972  -0.469  1.00  0.00           C  
HETATM    3  O   UNL     1       6.177  -3.558   1.798  1.00  0.00           O  
HETATM    4  O   UNL     1       4.937  -1.688   2.954  1.00  0.00           O  
HETATM    5  C   UNL     1     -12.853   1.372   0.012  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.129   1.926  -0.626  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.410  -0.023  -0.371  1.00  0.00           C  
HETATM    8  C   UNL     1     -15.154   2.233   0.468  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.339  -0.520  -1.344  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.472   2.668  -0.177  1.00  0.00           C  
HETATM   11  C   UNL     1     -17.482   2.971   0.900  1.00  0.00           C  
HETATM   12  C   UNL     1       6.708   5.852   0.240  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.250  -1.771  -1.258  1.00  0.00           C  
HETATM   14  C   UNL     1     -15.389   0.979   1.312  1.00  0.00           C  
HETATM   15  C   UNL     1       6.807   7.226  -0.034  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.183  -2.513  -0.495  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.112  -3.010  -1.468  1.00  0.00           C  
HETATM   18  C   UNL     1       6.266   3.843   0.929  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.023  -4.261  -1.381  1.00  0.00           C  
HETATM   20  N   UNL     1       7.688   7.629  -0.943  1.00  0.00           N  
HETATM   21  N   UNL     1       8.396   5.469  -1.361  1.00  0.00           N  
HETATM   22  N   UNL     1      -8.302  -1.241  -0.603  1.00  0.00           N  
HETATM   23  N   UNL     1       6.009   8.140   0.633  1.00  0.00           N  
HETATM   24  N   UNL     1       5.952   5.098   1.073  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.075  -3.731  -0.726  1.00  0.00           N  
HETATM   26  N   UNL     1       7.240   3.714  -0.016  1.00  0.00           N  
HETATM   27  O   UNL     1     -12.250   2.381   0.824  1.00  0.00           O  
HETATM   28  O   UNL     1     -17.178   2.850   2.063  1.00  0.00           O  
HETATM   29  O   UNL     1       3.977  -2.836   0.793  1.00  0.00           O  
HETATM   30  O   UNL     1     -18.718   3.374   0.567  1.00  0.00           O  
HETATM   31  O   UNL     1       3.595  -5.417   0.469  1.00  0.00           O  
HETATM   32  O   UNL     1       2.610  -4.179   2.436  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.163  -1.652  -2.461  1.00  0.00           O  
HETATM   34  O   UNL     1       1.589  -3.743   0.169  1.00  0.00           O  
HETATM   35  O   UNL     1     -14.661   3.283   1.301  1.00  0.00           O  
HETATM   36  O   UNL     1      11.172  -1.845   0.049  1.00  0.00           O  
HETATM   37  O   UNL     1      12.556   0.251   0.298  1.00  0.00           O  
HETATM   38  O   UNL     1      12.208  -0.889  -2.046  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.982  -4.223  -2.592  1.00  0.00           O  
HETATM   40  P   UNL     1       5.321  -2.376   1.551  1.00  0.00           P  
HETATM   41  P   UNL     1       2.936  -4.047   0.999  1.00  0.00           P  
HETATM   42  S   UNL     1     -11.694   0.870  -1.290  1.00  0.00           S  
HETATM   43  C   UNL     1       7.856   2.461  -0.460  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.899  -4.902  -0.608  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.660  -4.006  -0.674  1.00  0.00           C  
HETATM   46  C   UNL     1       0.433  -4.580   0.230  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.150  -3.946  -2.115  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.024  -2.597  -0.203  1.00  0.00           C  
HETATM   49  C   UNL     1       9.170   2.193   0.317  1.00  0.00           C  
HETATM   50  C   UNL     1       9.302   0.654   0.212  1.00  0.00           C  
HETATM   51  C   UNL     1       7.872   0.173  -0.099  1.00  0.00           C  
HETATM   52  C   UNL     1       7.404  -0.802   0.983  1.00  0.00           C  
HETATM   53  O   UNL     1      -2.293  -5.070   0.755  1.00  0.00           O  
HETATM   54  O   UNL     1      10.276   2.844  -0.312  1.00  0.00           O  
HETATM   55  O   UNL     1      10.191   0.300  -0.850  1.00  0.00           O  
HETATM   56  O   UNL     1       7.024   1.334  -0.112  1.00  0.00           O  
HETATM   57  O   UNL     1       6.118  -1.319   0.635  1.00  0.00           O  
HETATM   58  P   UNL     1      11.524  -0.574  -0.623  1.00  0.00           P  
HETATM   59  H   UNL     1       9.160   7.136  -2.312  1.00  0.00           H  
HETATM   60  H   UNL     1       4.376  -0.905   2.868  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.101   0.509   0.630  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.894   2.840  -1.171  1.00  0.00           H  
HETATM   63  H   UNL     1     -14.541   1.187  -1.314  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.856  -0.874   0.143  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.955   0.645   0.360  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.794  -1.188  -2.075  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.893   0.331  -1.859  1.00  0.00           H  
HETATM   68  H   UNL     1     -16.304   3.561  -0.779  1.00  0.00           H  
HETATM   69  H   UNL     1     -16.847   1.867  -0.813  1.00  0.00           H  
HETATM   70  H   UNL     1     -15.765   0.178   0.677  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.451   0.669   1.772  1.00  0.00           H  
HETATM   72  H   UNL     1     -16.120   1.198   2.091  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.728  -1.845   0.236  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.629  -3.364   0.020  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.567  -3.678  -2.198  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.666  -2.159  -1.982  1.00  0.00           H  
HETATM   77  H   UNL     1       5.822   3.026   1.477  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.372  -1.337   0.360  1.00  0.00           H  
HETATM   79  H   UNL     1       5.372   7.834   1.298  1.00  0.00           H  
HETATM   80  H   UNL     1       6.087   9.086   0.435  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.145  -3.826   0.237  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.002   3.180   0.339  1.00  0.00           H  
HETATM   83  H   UNL     1     -19.330   3.556   1.292  1.00  0.00           H  
HETATM   84  H   UNL     1       3.834  -5.402  -0.468  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.489   4.111   0.831  1.00  0.00           H  
HETATM   86  H   UNL     1      12.831   1.097  -0.081  1.00  0.00           H  
HETATM   87  H   UNL     1      13.018  -1.414  -1.985  1.00  0.00           H  
HETATM   88  H   UNL     1       8.043   2.485  -1.533  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.668  -5.874  -1.042  1.00  0.00           H  
HETATM   90  H   UNL     1       0.692  -5.584  -0.105  1.00  0.00           H  
HETATM   91  H   UNL     1       0.069  -4.623   1.257  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.898  -3.466  -2.746  1.00  0.00           H  
HETATM   93  H   UNL     1       0.776  -3.372  -2.149  1.00  0.00           H  
HETATM   94  H   UNL     1       0.036  -4.957  -2.477  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.388  -2.639   0.824  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.142  -1.959  -0.249  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.803  -2.188  -0.847  1.00  0.00           H  
HETATM   98  H   UNL     1       9.077   2.506   1.357  1.00  0.00           H  
HETATM   99  H   UNL     1       9.651   0.236   1.156  1.00  0.00           H  
HETATM  100  H   UNL     1       7.848  -0.313  -1.074  1.00  0.00           H  
HETATM  101  H   UNL     1       8.116  -1.623   1.065  1.00  0.00           H  
HETATM  102  H   UNL     1       7.340  -0.281   1.938  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.515  -4.243   1.205  1.00  0.00           H  
HETATM  104  H   UNL     1      10.195   3.807  -0.350  1.00  0.00           H  
CONECT    1   20   20   21   59                                       
CONECT    2   12   26   21   21                                       
CONECT    3   40   40                                                 
CONECT    4   40   60                                                 
CONECT    5   42    6   27   61                                       
CONECT    6    8    5   62   63                                       
CONECT    7   42    9   64   65                                       
CONECT    8   14   35   10    6                                       
CONECT    9   22    7   66   67                                       
CONECT   10   11    8   68   69                                       
CONECT   11   28   28   30   10                                       
CONECT   12   24   15   15    2                                       
CONECT   13   16   33   33   22                                       
CONECT   14    8   70   71   72                                       
CONECT   15   23   12   12   20                                       
CONECT   16   17   13   73   74                                       
CONECT   17   25   16   75   76                                       
CONECT   18   24   24   26   77                                       
CONECT   19   44   25   39   39                                       
CONECT   20   15    1    1                                            
CONECT   21    2    2    1                                            
CONECT   22   13    9   78                                            
CONECT   23   15   79   80                                            
CONECT   24   18   18   12                                            
CONECT   25   19   17   81                                            
CONECT   26   18   43    2                                            
CONECT   27    5   82                                                 
CONECT   28   11   11                                                 
CONECT   29   41   40                                                 
CONECT   30   11   83                                                 
CONECT   31   41   84                                                 
CONECT   32   41   41                                                 
CONECT   33   13   13                                                 
CONECT   34   41   46                                                 
CONECT   35    8   85                                                 
CONECT   36   58   58                                                 
CONECT   37   58   86                                                 
CONECT   38   58   87                                                 
CONECT   39   19   19                                                 
CONECT   40   29    3    3    4                                       
CONECT   40   57                                                      
CONECT   41   32   32   31   29                                       
CONECT   41   34                                                      
CONECT   42    5    7                                                 
CONECT   43   56   26   49   88                                       
CONECT   44   53   45   19   89                                       
CONECT   45   46   44   47   48                                       
CONECT   46   34   45   90   91                                       
CONECT   47   45   92   93   94                                       
CONECT   48   45   95   96   97                                       
CONECT   49   50   43   54   98                                       
CONECT   50   51   55   49   99                                       
CONECT   51   52   56   50  100                                       
CONECT   52   57   51  101  102                                       
CONECT   53   44  103                                                 
CONECT   54   49  104                                                 
CONECT   55   50   58                                                 
CONECT   56   51   43                                                 
CONECT   57   40   52                                                 
CONECT   58   36   36   38   55                                       
CONECT   58   37                                                      
CONECT   59    1                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   54                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
