COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.448   3.588  -1.074  1.00  0.00           C  
HETATM    2  N   UNL     1       3.006   3.357  -0.915  1.00  0.00           N  
HETATM    3  C   UNL     1       2.658   3.136   0.501  1.00  0.00           C  
HETATM    4  C   UNL     1       1.710   2.022   0.037  1.00  0.00           C  
HETATM    5  C   UNL     1       0.301   2.504  -0.312  1.00  0.00           C  
HETATM    6  C   UNL     1       2.667   1.943  -1.161  1.00  0.00           C  
HETATM    7  N   UNL     1       1.719   0.829   0.894  1.00  0.00           N  
HETATM    8  C   UNL     1       1.513   1.191   2.303  1.00  0.00           C  
HETATM    9  C   UNL     1       0.764  -0.098   0.471  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.581   0.237   0.474  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.528  -0.683   0.048  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.886  -0.352   0.077  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.332   0.932   0.618  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.672   0.771   2.101  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.558   1.387  -0.135  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.828   2.568  -0.205  1.00  0.00           O  
HETATM   17  N   UNL     1      -5.351   0.474  -0.731  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.989  -0.877  -0.762  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.806  -1.258  -0.417  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.421  -2.712  -0.505  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.046  -2.852  -0.833  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.137  -1.947  -0.394  1.00  0.00           C  
HETATM   23  C   UNL     1       0.206  -2.287  -0.394  1.00  0.00           C  
HETATM   24  C   UNL     1       1.161  -1.369   0.037  1.00  0.00           C  
HETATM   25  C   UNL     1       2.597  -1.735   0.031  1.00  0.00           C  
HETATM   26  C   UNL     1       3.501  -1.009  -0.744  1.00  0.00           C  
HETATM   27  C   UNL     1       4.837  -1.354  -0.746  1.00  0.00           C  
HETATM   28  C   UNL     1       5.280  -2.419   0.018  1.00  0.00           C  
HETATM   29  C   UNL     1       4.388  -3.143   0.789  1.00  0.00           C  
HETATM   30  C   UNL     1       3.051  -2.803   0.803  1.00  0.00           C  
HETATM   31  H   UNL     1       4.997   2.720  -0.710  1.00  0.00           H  
HETATM   32  H   UNL     1       4.677   3.748  -2.127  1.00  0.00           H  
HETATM   33  H   UNL     1       4.740   4.468  -0.501  1.00  0.00           H  
HETATM   34  H   UNL     1       3.493   2.774   1.102  1.00  0.00           H  
HETATM   35  H   UNL     1       2.145   3.982   0.959  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.247   2.721   0.604  1.00  0.00           H  
HETATM   37  H   UNL     1       0.366   3.407  -0.919  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.221   1.727  -0.872  1.00  0.00           H  
HETATM   39  H   UNL     1       2.160   1.776  -2.111  1.00  0.00           H  
HETATM   40  H   UNL     1       3.504   1.262  -1.003  1.00  0.00           H  
HETATM   41  H   UNL     1       0.552   1.693   2.412  1.00  0.00           H  
HETATM   42  H   UNL     1       1.525   0.290   2.915  1.00  0.00           H  
HETATM   43  H   UNL     1       2.311   1.860   2.626  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.892   1.215   0.808  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.538   1.671   0.504  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.788   0.437   2.643  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.005   1.729   2.503  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.468   0.034   2.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.182   0.757  -1.143  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.611  -3.192   0.455  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.023  -3.197  -1.273  1.00  0.00           H  
HETATM   52  H   UNL     1       0.514  -3.266  -0.728  1.00  0.00           H  
HETATM   53  H   UNL     1       3.156  -0.178  -1.341  1.00  0.00           H  
HETATM   54  H   UNL     1       5.538  -0.793  -1.346  1.00  0.00           H  
HETATM   55  H   UNL     1       6.327  -2.686   0.013  1.00  0.00           H  
HETATM   56  H   UNL     1       4.740  -3.973   1.383  1.00  0.00           H  
HETATM   57  H   UNL     1       2.356  -3.366   1.409  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    6    3    1                                            
CONECT    3    4    2   34   35                                       
CONECT    4    5    6    7    3                                       
CONECT    5    4   36   37   38                                       
CONECT    6    4    2   39   40                                       
CONECT    7    9    4    8                                            
CONECT    8    7   41   42   43                                       
CONECT    9   10   10   24    7                                       
CONECT   10   11    9    9   44                                       
CONECT   11   12   22   22   10                                       
CONECT   12   19   13   11                                            
CONECT   13   15   12   14   45                                       
CONECT   14   13   46   47   48                                       
CONECT   15   17   16   16   13                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   49                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   12                                       
CONECT   20   19   21   50   51                                       
CONECT   21   20   22                                                 
CONECT   22   21   11   11   23                                       
CONECT   23   22   24   24   52                                       
CONECT   24   23   23    9   25                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   53                                       
CONECT   27   26   28   28   54                                       
CONECT   28   27   27   29   55                                       
CONECT   29   30   30   28   56                                       
CONECT   30   25   29   29   57                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
