COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.781   0.247   0.095  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.639   0.630   1.240  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.833   0.668  -0.630  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.759   1.579   0.019  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.865   1.939  -0.939  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.014   1.173  -0.988  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.031   1.507  -1.864  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.893   2.601  -2.698  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.741   3.364  -2.653  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.727   3.033  -1.774  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.880  -0.595  -0.449  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.735  -1.054   0.340  1.00  0.00           C  
HETATM   13  C   UNL     1       0.391  -1.439  -0.585  1.00  0.00           C  
HETATM   14  O   UNL     1       0.250  -1.340  -1.785  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.145  -2.268   1.177  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.185  -1.854   2.186  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.796  -1.408   3.435  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.527  -1.915   1.860  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.750  -1.028   4.361  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.481  -1.535   2.786  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.092  -1.095   4.038  1.00  0.00           C  
HETATM   22  N   UNL     1       1.554  -1.893  -0.078  1.00  0.00           N  
HETATM   23  O   UNL     1       1.681  -4.412  -0.857  1.00  0.00           O  
HETATM   24  O   UNL     1       4.907   3.257   1.070  1.00  0.00           O  
HETATM   25  O   UNL     1       2.887  -5.579  -2.849  1.00  0.00           O  
HETATM   26  C   UNL     1       3.982  -2.143  -0.237  1.00  0.00           C  
HETATM   27  C   UNL     1       2.648  -2.268  -0.977  1.00  0.00           C  
HETATM   28  C   UNL     1       2.459  -3.691  -1.434  1.00  0.00           C  
HETATM   29  C   UNL     1       3.239  -4.214  -2.613  1.00  0.00           C  
HETATM   30  C   UNL     1       4.229  -0.699   0.113  1.00  0.00           C  
HETATM   31  C   UNL     1       4.684   1.954   0.754  1.00  0.00           C  
HETATM   32  C   UNL     1       4.999   4.114  -1.188  1.00  0.00           C  
HETATM   33  C   UNL     1       5.710   4.015   0.163  1.00  0.00           C  
HETATM   34  C   UNL     1       3.777  -0.193   1.318  1.00  0.00           C  
HETATM   35  C   UNL     1       4.903   0.120  -0.774  1.00  0.00           C  
HETATM   36  C   UNL     1       4.003   1.131   1.640  1.00  0.00           C  
HETATM   37  C   UNL     1       5.131   1.445  -0.456  1.00  0.00           C  
HETATM   38  C   UNL     1       5.929   5.420   0.729  1.00  0.00           C  
HETATM   39  C   UNL     1       7.062   3.323  -0.021  1.00  0.00           C  
HETATM   40  H   UNL     1      -5.184   1.098   0.900  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.229   2.483   0.319  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.120   0.316  -0.339  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.931   0.911  -1.898  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.686   2.860  -3.384  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.634   4.218  -3.304  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.827   3.629  -1.739  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.991  -0.898  -1.364  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.405  -0.252   1.001  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.559  -3.036   0.524  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.272  -2.663   1.696  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.748  -1.356   3.688  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.830  -2.259   0.883  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.446  -0.680   5.338  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.529  -1.582   2.532  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.838  -0.799   4.761  1.00  0.00           H  
HETATM   56  H   UNL     1       1.667  -1.973   0.882  1.00  0.00           H  
HETATM   57  H   UNL     1       3.352  -5.982  -3.595  1.00  0.00           H  
HETATM   58  H   UNL     1       3.947  -2.737   0.676  1.00  0.00           H  
HETATM   59  H   UNL     1       4.787  -2.506  -0.876  1.00  0.00           H  
HETATM   60  H   UNL     1       2.650  -1.605  -1.843  1.00  0.00           H  
HETATM   61  H   UNL     1       4.306  -4.146  -2.401  1.00  0.00           H  
HETATM   62  H   UNL     1       3.004  -3.620  -3.496  1.00  0.00           H  
HETATM   63  H   UNL     1       4.202   4.855  -1.126  1.00  0.00           H  
HETATM   64  H   UNL     1       5.715   4.414  -1.954  1.00  0.00           H  
HETATM   65  H   UNL     1       4.575   3.144  -1.447  1.00  0.00           H  
HETATM   66  H   UNL     1       3.247  -0.834   2.007  1.00  0.00           H  
HETATM   67  H   UNL     1       5.252  -0.276  -1.717  1.00  0.00           H  
HETATM   68  H   UNL     1       3.653   1.525   2.583  1.00  0.00           H  
HETATM   69  H   UNL     1       5.661   2.084  -1.148  1.00  0.00           H  
HETATM   70  H   UNL     1       6.435   5.350   1.691  1.00  0.00           H  
HETATM   71  H   UNL     1       6.541   5.998   0.037  1.00  0.00           H  
HETATM   72  H   UNL     1       4.965   5.913   0.860  1.00  0.00           H  
HETATM   73  H   UNL     1       6.904   2.262  -0.211  1.00  0.00           H  
HETATM   74  H   UNL     1       7.587   3.770  -0.865  1.00  0.00           H  
HETATM   75  H   UNL     1       7.659   3.445   0.883  1.00  0.00           H  
CONECT    1    3    2    2   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4   40   41    3    5                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   42                                       
CONECT    7    8    6    6   43                                       
CONECT    8    9    9    7   44                                       
CONECT    9   10    8    8   45                                       
CONECT   10    5    5   46    9                                       
CONECT   11    1   12   47                                            
CONECT   12   11   15   48   13                                       
CONECT   13   14   14   22   12                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   49   50                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16   51   19                                       
CONECT   18   16   52   20   20                                       
CONECT   19   17   21   21   53                                       
CONECT   20   18   18   54   21                                       
CONECT   21   19   19   20   55                                       
CONECT   22   56   13   27                                            
CONECT   23   28   28                                                 
CONECT   24   31   33                                                 
CONECT   25   29   57                                                 
CONECT   26   30   58   59   27                                       
CONECT   27   22   26   60   28                                       
CONECT   28   23   23   27   29                                       
CONECT   29   25   28   61   62                                       
CONECT   30   26   34   35   35                                       
CONECT   31   24   36   37   37                                       
CONECT   32   63   64   65   33                                       
CONECT   33   24   32   38   39                                       
CONECT   34   30   66   36   36                                       
CONECT   35   30   30   67   37                                       
CONECT   36   31   34   34   68                                       
CONECT   37   31   31   35   69                                       
CONECT   38   33   70   71   72                                       
CONECT   39   33   73   74   75                                       
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
