COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.430  -0.741  -2.791  1.00  0.00           C  
HETATM    2  C   UNL     1       2.233  -0.495  -1.293  1.00  0.00           C  
HETATM    3  C   UNL     1       0.859  -1.033  -0.851  1.00  0.00           C  
HETATM    4  C   UNL     1       0.099   0.224  -0.362  1.00  0.00           C  
HETATM    5  C   UNL     1       0.875   1.367  -1.065  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715   2.680  -0.296  1.00  0.00           C  
HETATM    7  O   UNL     1       3.631  -0.099  -3.225  1.00  0.00           O  
HETATM    8  O   UNL     1       3.270  -1.143  -0.554  1.00  0.00           O  
HETATM    9  O   UNL     1       1.009  -1.972   0.216  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.264   0.195  -0.790  1.00  0.00           O  
HETATM   11  O   UNL     1       2.246   0.917  -1.025  1.00  0.00           O  
HETATM   12  O   UNL     1       1.341   3.738  -1.025  1.00  0.00           O  
HETATM   13  C   UNL     1       4.569  -0.587  -0.766  1.00  0.00           C  
HETATM   14  C   UNL     1       5.625  -1.505  -0.142  1.00  0.00           C  
HETATM   15  C   UNL     1       5.393  -1.582   1.370  1.00  0.00           C  
HETATM   16  C   UNL     1       5.434  -0.167   1.955  1.00  0.00           C  
HETATM   17  C   UNL     1       4.386   0.699   1.250  1.00  0.00           C  
HETATM   18  C   UNL     1       4.462   2.129   1.787  1.00  0.00           C  
HETATM   19  O   UNL     1       5.516  -2.812  -0.710  1.00  0.00           O  
HETATM   20  O   UNL     1       4.116  -2.169   1.629  1.00  0.00           O  
HETATM   21  O   UNL     1       6.732   0.396   1.753  1.00  0.00           O  
HETATM   22  O   UNL     1       4.641   0.703  -0.156  1.00  0.00           O  
HETATM   23  O   UNL     1       3.409   2.909   1.216  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.529   1.606   1.032  1.00  0.00           O  
HETATM   25  P   UNL     1      -2.506   0.208   0.235  1.00  0.00           P  
HETATM   26  O   UNL     1      -2.362  -0.907   1.198  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.881   0.034  -0.586  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.154  -0.097   0.049  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.788  -1.435  -0.347  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.976  -2.509   0.132  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.184  -1.530   0.276  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.073  -1.520   1.700  1.00  0.00           O  
HETATM   33  C   UNL     1      -8.021  -0.333  -0.181  1.00  0.00           C  
HETATM   34  O   UNL     1      -7.360   0.878   0.191  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.069   1.046  -0.398  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.513   2.294   0.019  1.00  0.00           O  
HETATM   37  H   UNL     1       2.504  -1.813  -2.976  1.00  0.00           H  
HETATM   38  H   UNL     1       1.582  -0.335  -3.341  1.00  0.00           H  
HETATM   39  H   UNL     1       0.339  -1.490  -1.692  1.00  0.00           H  
HETATM   40  H   UNL     1       0.162   0.320   0.722  1.00  0.00           H  
HETATM   41  H   UNL     1       0.537   1.483  -2.095  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.345   2.901  -0.172  1.00  0.00           H  
HETATM   43  H   UNL     1       1.184   2.586   0.683  1.00  0.00           H  
HETATM   44  H   UNL     1       3.820  -0.214  -4.166  1.00  0.00           H  
HETATM   45  H   UNL     1       0.175  -2.343   0.534  1.00  0.00           H  
HETATM   46  H   UNL     1       1.278   4.602  -0.595  1.00  0.00           H  
HETATM   47  H   UNL     1       4.755  -0.495  -1.836  1.00  0.00           H  
HETATM   48  H   UNL     1       6.619  -1.102  -0.338  1.00  0.00           H  
HETATM   49  H   UNL     1       6.174  -2.189   1.828  1.00  0.00           H  
HETATM   50  H   UNL     1       5.216  -0.207   3.022  1.00  0.00           H  
HETATM   51  H   UNL     1       3.393   0.292   1.439  1.00  0.00           H  
HETATM   52  H   UNL     1       4.357   2.117   2.872  1.00  0.00           H  
HETATM   53  H   UNL     1       5.424   2.567   1.520  1.00  0.00           H  
HETATM   54  H   UNL     1       5.647  -2.837  -1.667  1.00  0.00           H  
HETATM   55  H   UNL     1       4.018  -3.066   1.279  1.00  0.00           H  
HETATM   56  H   UNL     1       7.447  -0.105   2.169  1.00  0.00           H  
HETATM   57  H   UNL     1       3.396   3.829   1.512  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.621   2.382   0.462  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.028  -0.061   1.131  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.866  -1.493  -1.433  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.318  -3.387  -0.084  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.663  -2.455  -0.045  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.921  -1.577   2.161  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.139  -0.364  -1.265  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.002  -0.373   0.292  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.161   1.032  -1.484  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.043   3.064  -0.232  1.00  0.00           H  
CONECT    1    2    7   37   38                                       
CONECT    2    1    3    8   11                                       
CONECT    3    2    4    9   39                                       
CONECT    4    3    5   10   40                                       
CONECT    5    4    6   11   41                                       
CONECT    6    5   12   42   43                                       
CONECT    7    1   44                                                 
CONECT    8    2   13                                                 
CONECT    9    3   45                                                 
CONECT   10    4   25                                                 
CONECT   11    2    5                                                 
CONECT   12    6   46                                                 
CONECT   13   14   22   47    8                                       
CONECT   14   13   15   19   48                                       
CONECT   15   14   16   20   49                                       
CONECT   16   15   17   21   50                                       
CONECT   17   16   18   22   51                                       
CONECT   18   17   23   52   53                                       
CONECT   19   14   54                                                 
CONECT   20   15   55                                                 
CONECT   21   16   56                                                 
CONECT   22   13   17                                                 
CONECT   23   18   57                                                 
CONECT   24   25   58                                                 
CONECT   25   27   26   26   24                                       
CONECT   25   10                                                      
CONECT   26   25   25                                                 
CONECT   27   28   25                                                 
CONECT   28   35   29   27   59                                       
CONECT   29   31   28   30   60                                       
CONECT   30   29   61                                                 
CONECT   31   33   32   29   62                                       
CONECT   32   31   63                                                 
CONECT   33   34   31   64   65                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   28   66                                       
CONECT   36   35   67                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
