COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.851  -1.080  -0.811  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.394  -1.758  -1.708  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.030  -0.245  -1.034  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.578  -1.361  -2.374  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.824  -0.413  -2.262  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.715   0.483  -3.263  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.401   0.695  -0.105  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.471   1.464  -0.353  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.649   0.891   1.177  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.367   0.204   2.259  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.753   0.490   3.563  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.791   0.564   2.258  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.235   0.348   1.103  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.332   1.227   0.243  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.511   2.599   0.601  1.00  0.00           O  
HETATM   16  C   UNL     1       1.119   0.811   0.498  1.00  0.00           C  
HETATM   17  C   UNL     1       2.038   1.519  -0.495  1.00  0.00           C  
HETATM   18  O   UNL     1       1.594   1.249  -1.826  1.00  0.00           O  
HETATM   19  C   UNL     1       1.990   3.027  -0.242  1.00  0.00           C  
HETATM   20  C   UNL     1       3.454   1.034  -0.332  1.00  0.00           C  
HETATM   21  C   UNL     1       4.508   1.906  -0.503  1.00  0.00           C  
HETATM   22  C   UNL     1       5.812   1.459  -0.368  1.00  0.00           C  
HETATM   23  C   UNL     1       6.071   0.138  -0.063  1.00  0.00           C  
HETATM   24  C   UNL     1       5.023  -0.752   0.118  1.00  0.00           C  
HETATM   25  O   UNL     1       5.274  -2.052   0.417  1.00  0.00           O  
HETATM   26  C   UNL     1       3.704  -0.301  -0.011  1.00  0.00           C  
HETATM   27  C   UNL     1       2.573  -1.224   0.213  1.00  0.00           C  
HETATM   28  O   UNL     1       2.757  -2.427   0.263  1.00  0.00           O  
HETATM   29  C   UNL     1       1.263  -0.682   0.370  1.00  0.00           C  
HETATM   30  C   UNL     1       0.222  -1.520   0.395  1.00  0.00           C  
HETATM   31  O   UNL     1       0.469  -2.838   0.261  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.212  -1.088   0.566  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.921  -1.966   1.442  1.00  0.00           O  
HETATM   34  H   UNL     1      -3.064   1.200  -3.204  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.288   0.411  -4.043  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.972   1.273  -1.158  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.606   1.956   1.403  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.826   0.327   2.113  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.670   1.568   3.697  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.373   0.072   4.356  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.760   0.041   3.603  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.264   0.174   1.357  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.275   0.136   3.136  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.892   1.649   2.281  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.576   1.087  -0.810  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.234   2.809   1.503  1.00  0.00           H  
HETATM   47  H   UNL     1       1.399   1.101   1.511  1.00  0.00           H  
HETATM   48  H   UNL     1       2.131   1.667  -2.512  1.00  0.00           H  
HETATM   49  H   UNL     1       2.219   3.228   0.805  1.00  0.00           H  
HETATM   50  H   UNL     1       2.724   3.526  -0.876  1.00  0.00           H  
HETATM   51  H   UNL     1       0.994   3.404  -0.474  1.00  0.00           H  
HETATM   52  H   UNL     1       4.316   2.941  -0.742  1.00  0.00           H  
HETATM   53  H   UNL     1       6.631   2.150  -0.503  1.00  0.00           H  
HETATM   54  H   UNL     1       7.091  -0.203   0.035  1.00  0.00           H  
HETATM   55  H   UNL     1       5.330  -2.234   1.365  1.00  0.00           H  
HETATM   56  H   UNL     1       0.137  -3.420   0.958  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.887  -2.896   1.179  1.00  0.00           H  
CONECT    1    2    2    3   32                                       
CONECT    2    1    1                                                 
CONECT    3    1    5    7    7                                       
CONECT    4    5    5                                                 
CONECT    5    3    4    4    6                                       
CONECT    6    5   34   35                                            
CONECT    7    3    3    8    9                                       
CONECT    8    7   36                                                 
CONECT    9    7   10   13   37                                       
CONECT   10    9   11   12                                            
CONECT   11   10   39   40   41                                       
CONECT   12   10   42   43   44                                       
CONECT   13    9   14   32   38                                       
CONECT   14   13   15   16   45                                       
CONECT   15   14   46                                                 
CONECT   16   14   17   29   47                                       
CONECT   17   16   18   19   20                                       
CONECT   18   17   48                                                 
CONECT   19   17   49   50   51                                       
CONECT   20   17   21   26   26                                       
CONECT   21   20   22   22   52                                       
CONECT   22   21   21   23   53                                       
CONECT   23   22   24   24   54                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24   55                                                 
CONECT   26   20   20   24   27                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   16   27   30   30                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   56                                                 
CONECT   32    1   13   30   33                                       
CONECT   33   32   57                                                 
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
