COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.247   1.776   0.027  1.00  0.00           C  
HETATM    2  N   UNL     1       0.277   0.575   0.080  1.00  0.00           N  
HETATM    3  N   UNL     1       1.673   0.673   0.054  1.00  0.00           N  
HETATM    4  C   UNL     1       2.010   1.994  -0.018  1.00  0.00           C  
HETATM    5  C   UNL     1       0.803   2.722  -0.037  1.00  0.00           C  
HETATM    6  C   UNL     1       2.657  -0.276   0.088  1.00  0.00           C  
HETATM    7  C   UNL     1       3.978   0.132   0.048  1.00  0.00           C  
HETATM    8  C   UNL     1       4.265   1.491  -0.025  1.00  0.00           C  
HETATM    9  N   UNL     1       3.287   2.375  -0.056  1.00  0.00           N  
HETATM   10  C   UNL     1       5.698   1.954  -0.070  1.00  0.00           C  
HETATM   11  N   UNL     1       2.339  -1.613   0.161  1.00  0.00           N  
HETATM   12  C   UNL     1       3.404  -2.619   0.197  1.00  0.00           C  
HETATM   13  C   UNL     1       2.784  -4.015   0.278  1.00  0.00           C  
HETATM   14  N   UNL     1       1.877  -4.082   1.431  1.00  0.00           N  
HETATM   15  C   UNL     1       2.001  -4.301  -1.005  1.00  0.00           C  
HETATM   16  C   UNL     1       3.893  -5.057   0.440  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.608   2.070   0.027  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.546   1.036  -0.027  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.823   1.229   0.485  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.753   0.203   0.432  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.409  -1.017  -0.132  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.134  -1.211  -0.643  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.204  -0.184  -0.596  1.00  0.00           C  
HETATM   24  C   UNL     1       0.663   4.175  -0.110  1.00  0.00           C  
HETATM   25  O   UNL     1       0.620   4.834   0.913  1.00  0.00           O  
HETATM   26  N   UNL     1       0.581   4.785  -1.309  1.00  0.00           N  
HETATM   27  O   UNL     1      -6.002   0.391   0.932  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.798  -2.407  -1.194  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.807  -3.418  -1.214  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.910  -0.709   0.844  1.00  0.00           C  
HETATM   31  H   UNL     1       4.776  -0.595   0.073  1.00  0.00           H  
HETATM   32  H   UNL     1       6.029   2.014  -1.107  1.00  0.00           H  
HETATM   33  H   UNL     1       5.776   2.938   0.394  1.00  0.00           H  
HETATM   34  H   UNL     1       6.326   1.247   0.472  1.00  0.00           H  
HETATM   35  H   UNL     1       1.410  -1.890   0.190  1.00  0.00           H  
HETATM   36  H   UNL     1       4.007  -2.541  -0.708  1.00  0.00           H  
HETATM   37  H   UNL     1       4.034  -2.450   1.070  1.00  0.00           H  
HETATM   38  H   UNL     1       2.371  -3.897   2.291  1.00  0.00           H  
HETATM   39  H   UNL     1       1.100  -3.449   1.317  1.00  0.00           H  
HETATM   40  H   UNL     1       2.674  -4.251  -1.861  1.00  0.00           H  
HETATM   41  H   UNL     1       1.559  -5.295  -0.948  1.00  0.00           H  
HETATM   42  H   UNL     1       1.211  -3.559  -1.121  1.00  0.00           H  
HETATM   43  H   UNL     1       4.451  -4.853   1.354  1.00  0.00           H  
HETATM   44  H   UNL     1       3.452  -6.052   0.498  1.00  0.00           H  
HETATM   45  H   UNL     1       4.567  -5.007  -0.416  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.905   2.993   0.064  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.091   2.179   0.924  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.134  -1.816  -0.173  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.214  -0.333  -0.998  1.00  0.00           H  
HETATM   50  H   UNL     1       0.615   4.260  -2.123  1.00  0.00           H  
HETATM   51  H   UNL     1       0.489   5.749  -1.357  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.116  -3.643  -0.194  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.665  -3.064  -1.785  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.408  -4.320  -1.680  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.051  -0.980  -0.202  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.501  -1.561   1.388  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.868  -0.426   1.279  1.00  0.00           H  
CONECT    1    2    2    5   17                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5    5    9                                       
CONECT    5    1    4    4   24                                       
CONECT    6    3    7    7   11                                       
CONECT    7    6    6    8   31                                       
CONECT    8    7    9    9   10                                       
CONECT    9    4    8    8                                            
CONECT   10    8   32   33   34                                       
CONECT   11    6   12   35                                            
CONECT   12   11   13   36   37                                       
CONECT   13   12   14   15   16                                       
CONECT   14   13   38   39                                            
CONECT   15   13   40   41   42                                       
CONECT   16   13   43   44   45                                       
CONECT   17    1   18   46                                            
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   21   27                                       
CONECT   21   20   20   22   48                                       
CONECT   22   21   23   23   28                                       
CONECT   23   18   22   22   49                                       
CONECT   24    5   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   50   51                                            
CONECT   27   20   30                                                 
CONECT   28   22   29                                                 
CONECT   29   28   52   53   54                                       
CONECT   30   27   55   56   57                                       
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
