COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.196  -0.425   2.319  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.905  -0.026  -1.588  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.154  -1.648  -2.321  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.250  -1.671   3.572  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.763  -2.741  -2.966  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.982  -0.994  -2.471  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.573  -2.523  -1.551  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.849  -1.031  -1.265  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.128  -3.390  -4.010  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.344   0.919   0.270  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.639  -2.761   3.440  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.752   2.963   1.184  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.179  -2.542   1.393  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.585   3.948   1.090  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.468   1.917   2.280  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.960  -3.136  -2.547  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.522   0.562   1.535  1.00  0.00           C  
HETATM   18  O   UNL     1       3.514   1.013  -0.882  1.00  0.00           O  
HETATM   19  C   UNL     1       2.497   2.974  -1.924  1.00  0.00           C  
HETATM   20  O   UNL     1       5.932   2.268   1.380  1.00  0.00           O  
HETATM   21  C   UNL     1       3.184   2.405  -0.681  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.043  -1.498  -0.918  1.00  0.00           N  
HETATM   23  N   UNL     1       1.260   2.227  -2.186  1.00  0.00           N  
HETATM   24  C   UNL     1       0.773   2.475  -3.549  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.897   2.252  -0.057  1.00  0.00           O  
HETATM   26  C   UNL     1       0.228   2.553  -1.192  1.00  0.00           C  
HETATM   27  C   UNL     1       4.552   0.725   0.080  1.00  0.00           C  
HETATM   28  C   UNL     1       5.463   1.973   0.063  1.00  0.00           C  
HETATM   29  C   UNL     1       4.542   3.103  -0.449  1.00  0.00           C  
HETATM   30  C   UNL     1       5.420  -0.956  -1.589  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.903   1.622  -1.335  1.00  0.00           C  
HETATM   32  C   UNL     1       6.562  -2.292  -0.319  1.00  0.00           C  
HETATM   33  C   UNL     1       7.357  -3.286   0.278  1.00  0.00           C  
HETATM   34  C   UNL     1       7.035  -2.266   2.324  1.00  0.00           C  
HETATM   35  C   UNL     1       6.025  -1.288   0.505  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.805   0.880  -1.449  1.00  0.00           C  
HETATM   37  N   UNL     1       6.285  -1.315   1.808  1.00  0.00           N  
HETATM   38  N   UNL     1      -4.044  -0.012  -0.821  1.00  0.00           N  
HETATM   39  N   UNL     1       5.306  -0.465  -0.323  1.00  0.00           N  
HETATM   40  N   UNL     1       6.158  -2.029  -1.584  1.00  0.00           N  
HETATM   41  N   UNL     1       7.913  -4.299  -0.483  1.00  0.00           N  
HETATM   42  N   UNL     1       7.562  -3.230   1.590  1.00  0.00           N  
HETATM   43  O   UNL     1      -2.907   4.980   0.155  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.473   1.971   3.295  1.00  0.00           O  
HETATM   45  O   UNL     1       4.415   4.131   0.535  1.00  0.00           O  
HETATM   46  P   UNL     1      -3.557  -1.865   2.653  1.00  0.00           P  
HETATM   47  H   UNL     1      -2.423  -1.233   4.416  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.546  -2.878  -1.243  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.558  -4.142  -4.446  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.254  -3.092  -4.306  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.411   0.916   0.493  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.321  -3.644   3.675  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.673   3.499   1.413  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.403   4.390   2.070  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.691   3.422   0.757  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.481   2.078   2.713  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.521   0.226   1.265  1.00  0.00           H  
HETATM   58  H   UNL     1       2.260   4.025  -1.759  1.00  0.00           H  
HETATM   59  H   UNL     1       3.165   2.883  -2.782  1.00  0.00           H  
HETATM   60  H   UNL     1       6.460   3.076   1.437  1.00  0.00           H  
HETATM   61  H   UNL     1       2.542   2.520   0.192  1.00  0.00           H  
HETATM   62  H   UNL     1       1.566   2.252  -4.264  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.087   1.836  -3.750  1.00  0.00           H  
HETATM   64  H   UNL     1       0.480   3.520  -3.647  1.00  0.00           H  
HETATM   65  H   UNL     1       0.648   2.464  -0.190  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.119   3.574  -1.350  1.00  0.00           H  
HETATM   67  H   UNL     1       4.122   0.583   1.071  1.00  0.00           H  
HETATM   68  H   UNL     1       6.302   1.826  -0.617  1.00  0.00           H  
HETATM   69  H   UNL     1       4.925   3.513  -1.384  1.00  0.00           H  
HETATM   70  H   UNL     1       4.962  -0.523  -2.466  1.00  0.00           H  
HETATM   71  H   UNL     1       7.228  -2.258   3.386  1.00  0.00           H  
HETATM   72  H   UNL     1       7.756  -4.330  -1.439  1.00  0.00           H  
HETATM   73  H   UNL     1       8.459  -4.980  -0.059  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.211   5.642   0.045  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.522   2.820   3.755  1.00  0.00           H  
HETATM   76  H   UNL     1       5.250   4.562   0.764  1.00  0.00           H  
CONECT    1   17   46                                                 
CONECT    2    6    6   36   38                                       
CONECT    3    5    6    8    8                                       
CONECT    4   46   47                                                 
CONECT    5    9   16   16    3                                       
CONECT    6    3    2    2                                            
CONECT    7   16   22   22   48                                       
CONECT    8    3    3   22   38                                       
CONECT    9    5   49   50                                            
CONECT   10   25   38   17   51                                       
CONECT   11   46   52                                                 
CONECT   12   14   25   15   53                                       
CONECT   13   46   46                                                 
CONECT   14   43   12   54   55                                       
CONECT   15   12   17   44   56                                       
CONECT   16    5    5    7                                            
CONECT   17   10   15    1   57                                       
CONECT   18   27   21                                                 
CONECT   19   21   23   58   59                                       
CONECT   20   28   60                                                 
CONECT   21   29   18   19   61                                       
CONECT   22    7    7    8                                            
CONECT   23   19   24   26                                            
CONECT   24   23   62   63   64                                       
CONECT   25   12   10                                                 
CONECT   26   23   31   65   66                                       
CONECT   27   28   39   18   67                                       
CONECT   28   20   29   27   68                                       
CONECT   29   28   45   21   69                                       
CONECT   30   40   40   39   70                                       
CONECT   31   26   36   36   36                                       
CONECT   32   40   33   33   35                                       
CONECT   33   41   32   32   42                                       
CONECT   34   42   42   37   71                                       
CONECT   35   32   39   37   37                                       
CONECT   36    2   31   31   31                                       
CONECT   37   35   35   34                                            
CONECT   38    2    8   10                                            
CONECT   39   30   35   27                                            
CONECT   40   32   30   30                                            
CONECT   41   33   72   73                                            
CONECT   42   33   34   34                                            
CONECT   43   14   74                                                 
CONECT   44   15   75                                                 
CONECT   45   29   76                                                 
CONECT   46    1   13   13    4                                       
CONECT   46   11                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   34                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
