COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.881   0.031  -0.142  1.00  0.00           C  
HETATM    2  C   UNL     1       1.655   0.737  -0.070  1.00  0.00           C  
HETATM    3  C   UNL     1       0.450  -0.005  -0.120  1.00  0.00           C  
HETATM    4  N   UNL     1       0.526  -1.323  -0.232  1.00  0.00           N  
HETATM    5  N   UNL     1       2.851  -1.306  -0.254  1.00  0.00           N  
HETATM    6  C   UNL     1       3.103  -3.844  -0.469  1.00  0.00           C  
HETATM    7  C   UNL     1       2.984  -5.326  -0.056  1.00  0.00           C  
HETATM    8  C   UNL     1       1.688  -5.408   0.777  1.00  0.00           C  
HETATM    9  C   UNL     1       1.133  -3.967   0.797  1.00  0.00           C  
HETATM   10  N   UNL     1       1.711  -3.326  -0.412  1.00  0.00           N  
HETATM   11  C   UNL     1       1.699  -1.947  -0.296  1.00  0.00           C  
HETATM   12  C   UNL     1       4.088   0.741  -0.100  1.00  0.00           C  
HETATM   13  C   UNL     1       4.064   2.113   0.015  1.00  0.00           C  
HETATM   14  O   UNL     1       5.233   2.804   0.056  1.00  0.00           O  
HETATM   15  C   UNL     1       6.440   2.043  -0.025  1.00  0.00           C  
HETATM   16  C   UNL     1       2.847   2.804   0.090  1.00  0.00           C  
HETATM   17  O   UNL     1       2.849   4.160   0.203  1.00  0.00           O  
HETATM   18  C   UNL     1       1.577   4.807   0.275  1.00  0.00           C  
HETATM   19  C   UNL     1       1.659   2.132   0.047  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.773   0.629  -0.055  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.009  -0.156  -0.108  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.214   0.782  -0.016  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.504  -0.038  -0.072  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.658   0.861   0.015  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.908   0.358  -0.014  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.078  -0.839  -0.113  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.095   1.282   0.076  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.385   0.462   0.020  1.00  0.00           C  
HETATM   29  H   UNL     1       3.738  -3.303   0.232  1.00  0.00           H  
HETATM   30  H   UNL     1       3.497  -3.762  -1.482  1.00  0.00           H  
HETATM   31  H   UNL     1       2.906  -5.960  -0.939  1.00  0.00           H  
HETATM   32  H   UNL     1       3.842  -5.621   0.548  1.00  0.00           H  
HETATM   33  H   UNL     1       0.975  -6.082   0.303  1.00  0.00           H  
HETATM   34  H   UNL     1       1.910  -5.742   1.791  1.00  0.00           H  
HETATM   35  H   UNL     1       0.045  -3.978   0.738  1.00  0.00           H  
HETATM   36  H   UNL     1       1.459  -3.447   1.698  1.00  0.00           H  
HETATM   37  H   UNL     1       5.030   0.216  -0.157  1.00  0.00           H  
HETATM   38  H   UNL     1       7.297   2.715   0.019  1.00  0.00           H  
HETATM   39  H   UNL     1       6.484   1.342   0.809  1.00  0.00           H  
HETATM   40  H   UNL     1       6.459   1.490  -0.964  1.00  0.00           H  
HETATM   41  H   UNL     1       1.722   5.884   0.362  1.00  0.00           H  
HETATM   42  H   UNL     1       1.007   4.589  -0.628  1.00  0.00           H  
HETATM   43  H   UNL     1       1.033   4.442   1.145  1.00  0.00           H  
HETATM   44  H   UNL     1       0.727   2.675   0.102  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.815   1.595   0.027  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.049  -0.708  -1.047  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.030  -0.857   0.726  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.174   1.334   0.923  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.193   1.483  -0.851  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.544  -0.589  -1.011  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.526  -0.738   0.762  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.522   1.818   0.094  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.055   1.834   1.015  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.073   1.983  -0.759  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.244   1.131   0.085  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.425  -0.089  -0.919  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.407  -0.239   0.854  1.00  0.00           H  
CONECT    1    2    2    5   12                                       
CONECT    2    3   19    1    1                                       
CONECT    3   20    4    4    2                                       
CONECT    4    3    3   11                                            
CONECT    5   11   11    1                                            
CONECT    6    7   10   29   30                                       
CONECT    7    6    8   31   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9   10    8   35   36                                       
CONECT   10    6   11    9                                            
CONECT   11    4   10    5    5                                       
CONECT   12    1   13   13   37                                       
CONECT   13   16   12   12   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   38   39   40                                       
CONECT   16   19   19   17   13                                       
CONECT   17   18   16                                                 
CONECT   18   17   41   42   43                                       
CONECT   19    2   16   16   44                                       
CONECT   20   21    3   45                                            
CONECT   21   22   20   46   47                                       
CONECT   22   23   21   48   49                                       
CONECT   23   24   22   50   51                                       
CONECT   24   25   23   52                                            
CONECT   25   27   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   53   54                                       
CONECT   28   27   55   56   57                                       
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
