COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       1.742  -4.285   1.229  1.00  0.00           C  
HETATM    2  C   UNL     1       1.300  -3.497   0.023  1.00  0.00           C  
HETATM    3  O   UNL     1       0.905  -4.075  -0.967  1.00  0.00           O  
HETATM    4  N   UNL     1       1.344  -2.150   0.046  1.00  0.00           N  
HETATM    5  C   UNL     1       0.914  -1.384  -1.127  1.00  0.00           C  
HETATM    6  C   UNL     1       2.081  -1.260  -2.109  1.00  0.00           C  
HETATM    7  O   UNL     1       2.553  -2.565  -2.452  1.00  0.00           O  
HETATM    8  C   UNL     1       3.571  -2.569  -3.454  1.00  0.00           C  
HETATM    9  O   UNL     1       3.145  -0.511  -1.513  1.00  0.00           O  
HETATM   10  C   UNL     1       2.768   0.816  -1.151  1.00  0.00           C  
HETATM   11  C   UNL     1       3.952   1.587  -0.564  1.00  0.00           C  
HETATM   12  O   UNL     1       3.482   2.868  -0.127  1.00  0.00           O  
HETATM   13  C   UNL     1       2.420   2.813   0.826  1.00  0.00           C  
HETATM   14  C   UNL     1       1.967   4.235   1.165  1.00  0.00           C  
HETATM   15  C   UNL     1       2.909   2.135   2.081  1.00  0.00           C  
HETATM   16  O   UNL     1       3.869   2.709   2.823  1.00  0.00           O  
HETATM   17  O   UNL     1       2.437   1.076   2.418  1.00  0.00           O  
HETATM   18  O   UNL     1       1.314   2.078   0.290  1.00  0.00           O  
HETATM   19  C   UNL     1       1.663   0.747  -0.090  1.00  0.00           C  
HETATM   20  C   UNL     1       0.461   0.013  -0.685  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.567  -0.104   0.301  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.890  -0.125  -0.238  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.173   1.132  -0.855  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.469   1.211  -1.452  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.649   2.583  -2.103  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.726   2.722  -3.185  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.538   1.013  -0.375  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.834   1.033  -0.978  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.315  -0.337   0.313  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.264  -0.498   1.370  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.896  -0.377   0.889  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.645  -1.691   1.484  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.725  -1.825   2.460  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.105  -0.857   2.845  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.468  -3.177   3.073  1.00  0.00           C  
HETATM   36  H   UNL     1       1.636  -5.351   1.026  1.00  0.00           H  
HETATM   37  H   UNL     1       2.785  -4.060   1.449  1.00  0.00           H  
HETATM   38  H   UNL     1       1.124  -4.016   2.086  1.00  0.00           H  
HETATM   39  H   UNL     1       1.660  -1.688   0.838  1.00  0.00           H  
HETATM   40  H   UNL     1       0.085  -1.898  -1.612  1.00  0.00           H  
HETATM   41  H   UNL     1       1.742  -0.750  -3.010  1.00  0.00           H  
HETATM   42  H   UNL     1       3.876  -3.596  -3.657  1.00  0.00           H  
HETATM   43  H   UNL     1       3.185  -2.117  -4.367  1.00  0.00           H  
HETATM   44  H   UNL     1       4.431  -1.999  -3.101  1.00  0.00           H  
HETATM   45  H   UNL     1       2.395   1.340  -2.031  1.00  0.00           H  
HETATM   46  H   UNL     1       4.364   1.038   0.283  1.00  0.00           H  
HETATM   47  H   UNL     1       4.720   1.717  -1.326  1.00  0.00           H  
HETATM   48  H   UNL     1       1.618   4.730   0.259  1.00  0.00           H  
HETATM   49  H   UNL     1       1.157   4.195   1.892  1.00  0.00           H  
HETATM   50  H   UNL     1       2.805   4.793   1.584  1.00  0.00           H  
HETATM   51  H   UNL     1       4.150   2.237   3.618  1.00  0.00           H  
HETATM   52  H   UNL     1       2.025   0.203   0.781  1.00  0.00           H  
HETATM   53  H   UNL     1       0.084   0.564  -1.547  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.968  -0.920  -0.979  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.568   0.433  -2.210  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.667   2.676  -2.481  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.463   3.363  -1.365  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.783   3.570  -3.645  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.466   1.813   0.362  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.041   1.859  -1.437  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.437  -1.141  -0.413  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.185  -0.477   1.078  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.790   0.396   1.651  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.142  -2.466   1.176  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.133  -3.869   2.300  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.697  -3.088   3.839  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.386  -3.553   3.524  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   39                                            
CONECT    5   20    4    6   40                                       
CONECT    6    9    5    7   41                                       
CONECT    7    6    8                                                 
CONECT    8    7   42   43   44                                       
CONECT    9   10    6                                                 
CONECT   10   11   19    9   45                                       
CONECT   11   12   10   46   47                                       
CONECT   12   13   11                                                 
CONECT   13   14   15   12   18                                       
CONECT   14   13   48   49   50                                       
CONECT   15   17   17   16   13                                       
CONECT   16   15   51                                                 
CONECT   17   15   15                                                 
CONECT   18   13   19                                                 
CONECT   19   18   10   20   52                                       
CONECT   20   19   21    5   53                                       
CONECT   21   22   20                                                 
CONECT   22   23   31   21   54                                       
CONECT   23   24   22                                                 
CONECT   24   27   25   23   55                                       
CONECT   25   26   24   56   57                                       
CONECT   26   25   58                                                 
CONECT   27   28   24   29   59                                       
CONECT   28   27   60                                                 
CONECT   29   30   27   31   61                                       
CONECT   30   29   62                                                 
CONECT   31   29   22   32   63                                       
CONECT   32   31   33   64                                            
CONECT   33   34   34   32   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   65   66   67                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
