COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.981  -2.277  -0.526  1.00  0.00           C  
HETATM    2  O   UNL     1       1.597   2.793   1.550  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.881   0.111   1.188  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.220   0.986  -0.822  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.409   0.595   0.181  1.00  0.00           C  
HETATM    6  C   UNL     1       0.083   0.758   0.051  1.00  0.00           C  
HETATM    7  C   UNL     1       0.766   0.240   1.319  1.00  0.00           C  
HETATM    8  C   UNL     1       2.278   0.535   1.247  1.00  0.00           C  
HETATM    9  C   UNL     1       2.452   2.039   1.125  1.00  0.00           C  
HETATM   10  C   UNL     1       3.661   2.561   0.488  1.00  0.00           C  
HETATM   11  C   UNL     1       4.484   1.771  -0.186  1.00  0.00           C  
HETATM   12  C   UNL     1       4.282   0.291  -0.319  1.00  0.00           C  
HETATM   13  C   UNL     1       2.854  -0.115   0.003  1.00  0.00           C  
HETATM   14  C   UNL     1       2.681  -1.627  -0.026  1.00  0.00           C  
HETATM   15  C   UNL     1       4.544  -0.108  -1.793  1.00  0.00           C  
HETATM   16  C   UNL     1       4.361  -1.617  -1.841  1.00  0.00           C  
HETATM   17  C   UNL     1       4.522  -2.304  -2.947  1.00  0.00           C  
HETATM   18  C   UNL     1       2.926   0.044   2.539  1.00  0.00           C  
HETATM   19  C   UNL     1       5.309  -0.446   0.539  1.00  0.00           C  
HETATM   20  C   UNL     1       5.083  -1.956   0.493  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.015   2.825  -1.860  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.228  -1.290   0.401  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.330  -1.993   0.707  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.232  -2.618   1.086  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.999  -1.796   0.624  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.474  -0.585  -0.027  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.089  -0.376  -0.115  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.603   0.770  -0.731  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.491   1.704  -1.258  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.862   1.495  -1.169  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.354   0.361  -0.566  1.00  0.00           C  
HETATM   32  O   UNL     1       6.621  -0.169   0.027  1.00  0.00           O  
HETATM   33  H   UNL     1       3.858  -3.351  -0.647  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.846   1.416  -1.607  1.00  0.00           H  
HETATM   35  H   UNL     1       0.438   0.191  -0.810  1.00  0.00           H  
HETATM   36  H   UNL     1       0.323   1.813  -0.085  1.00  0.00           H  
HETATM   37  H   UNL     1       0.339   0.737   2.190  1.00  0.00           H  
HETATM   38  H   UNL     1       0.609  -0.836   1.402  1.00  0.00           H  
HETATM   39  H   UNL     1       3.891   3.616   0.570  1.00  0.00           H  
HETATM   40  H   UNL     1       5.353   2.215  -0.653  1.00  0.00           H  
HETATM   41  H   UNL     1       2.238   0.264  -0.852  1.00  0.00           H  
HETATM   42  H   UNL     1       1.872  -1.884  -0.715  1.00  0.00           H  
HETATM   43  H   UNL     1       2.444  -2.017   0.959  1.00  0.00           H  
HETATM   44  H   UNL     1       3.816   0.382  -2.439  1.00  0.00           H  
HETATM   45  H   UNL     1       5.556   0.166  -2.081  1.00  0.00           H  
HETATM   46  H   UNL     1       4.383  -3.375  -2.941  1.00  0.00           H  
HETATM   47  H   UNL     1       4.792  -1.799  -3.862  1.00  0.00           H  
HETATM   48  H   UNL     1       2.884  -1.044   2.575  1.00  0.00           H  
HETATM   49  H   UNL     1       3.967   0.368   2.569  1.00  0.00           H  
HETATM   50  H   UNL     1       2.391   0.457   3.394  1.00  0.00           H  
HETATM   51  H   UNL     1       5.274  -0.096   1.565  1.00  0.00           H  
HETATM   52  H   UNL     1       4.783  -2.309   1.479  1.00  0.00           H  
HETATM   53  H   UNL     1       6.008  -2.451   0.196  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.934   2.751  -2.821  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.964  -1.979  -0.225  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.627  -2.804   1.143  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.545   2.224  -1.580  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.420   0.201  -0.503  1.00  0.00           H  
HETATM   59  H   UNL     1       7.334  -0.601   0.518  1.00  0.00           H  
CONECT    1   14   16   20   33                                       
CONECT    2    9    9                                                 
CONECT    3    5    5                                                 
CONECT    4   28    5   34                                            
CONECT    5    3    3    4    6                                       
CONECT    6    5    7   35   36                                       
CONECT    7    6    8   37   38                                       
CONECT    8    7   13   18    9                                       
CONECT    9    2    2    8   10                                       
CONECT   10    9   11   11   39                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   13   15   19                                       
CONECT   13    8   12   14   41                                       
CONECT   14    1   13   42   43                                       
CONECT   15   12   16   44   45                                       
CONECT   16    1   15   17   17                                       
CONECT   17   16   16   46   47                                       
CONECT   18    8   48   49   50                                       
CONECT   19   12   20   32   51                                       
CONECT   20    1   19   52   53                                       
CONECT   21   29   54                                                 
CONECT   22   27   55                                                 
CONECT   23   25   56                                                 
CONECT   24   25   25                                                 
CONECT   25   23   24   24   26                                       
CONECT   26   25   31   31   27                                       
CONECT   27   22   26   28   28                                       
CONECT   28    4   27   27   29                                       
CONECT   29   21   28   30   30                                       
CONECT   30   29   29   31   57                                       
CONECT   31   26   26   30   58                                       
CONECT   32   19   59                                                 
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
