COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.790   0.573  -0.007  1.00  0.00           C  
HETATM    2  O   UNL     1       4.608   0.887   0.732  1.00  0.00           O  
HETATM    3  C   UNL     1       0.677  -0.495   0.450  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.557  -0.910  -0.137  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.298   0.929  -0.393  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.457   1.666  -0.001  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.648   1.012  -0.043  1.00  0.00           C  
HETATM    8  N   UNL     1     -10.368  -1.032  -0.175  1.00  0.00           N1+
HETATM    9  C   UNL     1       6.997   1.249   0.648  1.00  0.00           C  
HETATM   10  O   UNL     1       6.831   2.668   0.605  1.00  0.00           O  
HETATM   11  C   UNL     1       1.778  -1.495   0.086  1.00  0.00           C  
HETATM   12  O   UNL     1       1.457  -2.776   0.630  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.081   1.858  -0.401  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.276   2.892  -1.367  1.00  0.00           O  
HETATM   15  C   UNL     1      -7.814   1.668   0.324  1.00  0.00           C  
HETATM   16  O   UNL     1     -11.391  -0.455   0.148  1.00  0.00           O1-
HETATM   17  C   UNL     1       8.268   0.859  -0.113  1.00  0.00           C  
HETATM   18  O   UNL     1       9.407   1.426   0.535  1.00  0.00           O  
HETATM   19  C   UNL     1       3.110  -1.011   0.669  1.00  0.00           C  
HETATM   20  O   UNL     1       4.156  -1.900   0.272  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.832   1.048  -0.763  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.681   1.891  -0.702  1.00  0.00           O  
HETATM   23  C   UNL     1      -9.023   1.000   0.281  1.00  0.00           C  
HETATM   24  O   UNL     1     -10.412  -2.194  -0.535  1.00  0.00           O  
HETATM   25  C   UNL     1       8.393  -0.668  -0.127  1.00  0.00           C  
HETATM   26  O   UNL     1       9.536  -1.046  -0.896  1.00  0.00           O  
HETATM   27  C   UNL     1       3.404   0.396   0.139  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.678  -0.105   0.234  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.071  -0.319  -0.129  1.00  0.00           C  
HETATM   30  C   UNL     1       7.132  -1.270  -0.752  1.00  0.00           C  
HETATM   31  O   UNL     1       5.985  -0.843  -0.014  1.00  0.00           O  
HETATM   32  C   UNL     1       2.241   1.323   0.500  1.00  0.00           C  
HETATM   33  O   UNL     1       1.029   0.799  -0.045  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.949  -0.958   0.218  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.076  -0.137   0.533  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.911  -0.975  -0.495  1.00  0.00           C  
HETATM   37  C   UNL     1       7.223  -2.797  -0.714  1.00  0.00           C  
HETATM   38  O   UNL     1       6.103  -3.358  -1.401  1.00  0.00           O  
HETATM   39  C   UNL     1       2.500   2.716  -0.077  1.00  0.00           C  
HETATM   40  O   UNL     1       1.474   3.611   0.357  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.826  -2.076   1.255  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.960  -2.940   1.160  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.700  -0.311  -0.458  1.00  0.00           C  
HETATM   44  H   UNL     1       5.685   0.930  -1.031  1.00  0.00           H  
HETATM   45  H   UNL     1       0.568  -0.452   1.534  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.449   0.518  -1.391  1.00  0.00           H  
HETATM   47  H   UNL     1       7.079   0.923   1.685  1.00  0.00           H  
HETATM   48  H   UNL     1       6.042   2.986   1.065  1.00  0.00           H  
HETATM   49  H   UNL     1       1.859  -1.569  -0.998  1.00  0.00           H  
HETATM   50  H   UNL     1       0.622  -3.142   0.308  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.954   2.301   0.587  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.054   3.443  -1.202  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.777   2.698   0.645  1.00  0.00           H  
HETATM   54  H   UNL     1       8.208   1.230  -1.136  1.00  0.00           H  
HETATM   55  H   UNL     1       9.391   2.392   0.586  1.00  0.00           H  
HETATM   56  H   UNL     1       3.045  -0.986   1.756  1.00  0.00           H  
HETATM   57  H   UNL     1       4.030  -2.812   0.568  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.938   0.647  -1.772  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.714   2.647  -1.304  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.931   1.510   0.567  1.00  0.00           H  
HETATM   61  H   UNL     1       8.504  -1.033   0.894  1.00  0.00           H  
HETATM   62  H   UNL     1      10.371  -0.695  -0.559  1.00  0.00           H  
HETATM   63  H   UNL     1       3.520   0.361  -0.944  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.521   0.298   1.235  1.00  0.00           H  
HETATM   65  H   UNL     1       7.044  -0.937  -1.786  1.00  0.00           H  
HETATM   66  H   UNL     1       2.153   1.390   1.585  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.082  -1.393  -0.773  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.951  -2.006  -0.814  1.00  0.00           H  
HETATM   69  H   UNL     1       8.145  -3.118  -1.200  1.00  0.00           H  
HETATM   70  H   UNL     1       7.221  -3.136   0.322  1.00  0.00           H  
HETATM   71  H   UNL     1       6.096  -4.325  -1.417  1.00  0.00           H  
HETATM   72  H   UNL     1       3.468   3.079   0.269  1.00  0.00           H  
HETATM   73  H   UNL     1       2.500   2.664  -1.166  1.00  0.00           H  
HETATM   74  H   UNL     1       1.574   4.514   0.028  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.917  -2.647   1.067  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.783  -1.642   2.254  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.950  -3.674   1.789  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.794  -0.822  -0.748  1.00  0.00           H  
CONECT    1    2    9   31   44                                       
CONECT    2    1   27                                                 
CONECT    3    4   11   33   45                                       
CONECT    4    3   28                                                 
CONECT    5    6   13   35   46                                       
CONECT    6    5    7                                                 
CONECT    7    6   15   15   43                                       
CONECT    8   16   24   24   29                                       
CONECT    9    1   10   17   47                                       
CONECT   10    9   48                                                 
CONECT   11    3   12   19   49                                       
CONECT   12   11   50                                                 
CONECT   13    5   14   21   51                                       
CONECT   14   13   52                                                 
CONECT   15    7    7   23   53                                       
CONECT   16    8                                                      
CONECT   17    9   18   25   54                                       
CONECT   18   17   55                                                 
CONECT   19   11   20   27   56                                       
CONECT   20   19   57                                                 
CONECT   21   13   22   28   58                                       
CONECT   22   21   59                                                 
CONECT   23   15   29   29   60                                       
CONECT   24    8    8                                                 
CONECT   25   17   26   30   61                                       
CONECT   26   25   62                                                 
CONECT   27    2   19   32   63                                       
CONECT   28    4   21   34   64                                       
CONECT   29    8   23   23   36                                       
CONECT   30   25   31   37   65                                       
CONECT   31    1   30                                                 
CONECT   32   27   33   39   66                                       
CONECT   33    3   32                                                 
CONECT   34   28   35   41   67                                       
CONECT   35    5   34                                                 
CONECT   36   29   43   43   68                                       
CONECT   37   30   38   69   70                                       
CONECT   38   37   71                                                 
CONECT   39   32   40   72   73                                       
CONECT   40   39   74                                                 
CONECT   41   34   42   75   76                                       
CONECT   42   41   77                                                 
CONECT   43    7   36   36   78                                       
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
