COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.121   1.565  -0.239  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.117   0.600  -0.216  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.434  -0.740  -0.075  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.764  -1.127   0.033  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.771  -0.148   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.432   1.200  -0.135  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.355  -2.331   0.171  1.00  0.00           O  
HETATM    8  N   UNL     1      -4.758  -2.170   0.234  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.051  -0.856   0.135  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.734  -3.252   0.383  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.162  -0.355   0.152  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.340  -1.776  -0.045  1.00  0.00           C  
HETATM   13  C   UNL     1       0.051  -2.148  -1.476  1.00  0.00           C  
HETATM   14  C   UNL     1       1.231  -3.120  -1.447  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.759   3.020  -0.387  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.800   3.409  -1.867  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.549   4.911  -2.007  1.00  0.00           C  
HETATM   18  O   UNL     1       0.183   0.978  -0.321  1.00  0.00           O  
HETATM   19  C   UNL     1       0.825   0.592   0.896  1.00  0.00           C  
HETATM   20  C   UNL     1       2.227   0.126   0.598  1.00  0.00           C  
HETATM   21  C   UNL     1       0.876   1.771   1.833  1.00  0.00           C  
HETATM   22  C   UNL     1       2.747  -0.969   1.263  1.00  0.00           C  
HETATM   23  C   UNL     1       4.033  -1.397   0.990  1.00  0.00           C  
HETATM   24  C   UNL     1       4.799  -0.729   0.052  1.00  0.00           C  
HETATM   25  C   UNL     1       4.278   0.365  -0.613  1.00  0.00           C  
HETATM   26  C   UNL     1       2.991   0.790  -0.343  1.00  0.00           C  
HETATM   27  C   UNL     1       6.201  -1.195  -0.245  1.00  0.00           C  
HETATM   28  C   UNL     1       6.310  -1.575  -1.723  1.00  0.00           C  
HETATM   29  C   UNL     1       7.189  -0.069   0.067  1.00  0.00           C  
HETATM   30  O   UNL     1       0.531   2.928   1.421  1.00  0.00           O  
HETATM   31  O   UNL     1       1.264   1.612   3.037  1.00  0.00           O1-
HETATM   32  H   UNL     1      -4.207   1.952  -0.158  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.032  -3.611  -0.603  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.286  -4.071   0.947  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.610  -2.881   0.915  1.00  0.00           H  
HETATM   36  H   UNL     1       0.528  -1.372   0.476  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.696  -2.665   0.477  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.797  -2.620  -1.973  1.00  0.00           H  
HETATM   39  H   UNL     1       0.335  -1.247  -2.021  1.00  0.00           H  
HETATM   40  H   UNL     1       1.564  -3.319  -2.465  1.00  0.00           H  
HETATM   41  H   UNL     1       2.050  -2.681  -0.876  1.00  0.00           H  
HETATM   42  H   UNL     1       0.921  -4.054  -0.978  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.755   3.186   0.004  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.471   3.631   0.168  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.778   3.164  -2.279  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.029   2.859  -2.408  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.570   5.156  -1.594  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.578   5.188  -3.061  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.319   5.460  -1.466  1.00  0.00           H  
HETATM   50  H   UNL     1       0.264  -0.218   1.362  1.00  0.00           H  
HETATM   51  H   UNL     1       2.148  -1.491   1.995  1.00  0.00           H  
HETATM   52  H   UNL     1       4.439  -2.252   1.509  1.00  0.00           H  
HETATM   53  H   UNL     1       4.877   0.887  -1.345  1.00  0.00           H  
HETATM   54  H   UNL     1       2.584   1.645  -0.862  1.00  0.00           H  
HETATM   55  H   UNL     1       6.434  -2.063   0.372  1.00  0.00           H  
HETATM   56  H   UNL     1       5.606  -2.377  -1.945  1.00  0.00           H  
HETATM   57  H   UNL     1       6.077  -0.706  -2.339  1.00  0.00           H  
HETATM   58  H   UNL     1       7.324  -1.911  -1.937  1.00  0.00           H  
HETATM   59  H   UNL     1       7.111   0.202   1.120  1.00  0.00           H  
HETATM   60  H   UNL     1       8.203  -0.405  -0.148  1.00  0.00           H  
HETATM   61  H   UNL     1       6.956   0.800  -0.549  1.00  0.00           H  
CONECT    1    2    6    6   15                                       
CONECT    2    1    3    3   18                                       
CONECT    3    2    2    4   12                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6    9                                       
CONECT    6    1    1    5   32                                       
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    5    8   11   11                                       
CONECT   10    8   33   34   35                                       
CONECT   11    9    9                                                 
CONECT   12    3   13   36   37                                       
CONECT   13   12   14   38   39                                       
CONECT   14   13   40   41   42                                       
CONECT   15    1   16   43   44                                       
CONECT   16   15   17   45   46                                       
CONECT   17   16   47   48   49                                       
CONECT   18    2   19                                                 
CONECT   19   18   20   21   50                                       
CONECT   20   19   22   22   26                                       
CONECT   21   19   30   30   31                                       
CONECT   22   20   20   23   51                                       
CONECT   23   22   24   24   52                                       
CONECT   24   23   23   25   27                                       
CONECT   25   24   26   26   53                                       
CONECT   26   20   25   25   54                                       
CONECT   27   24   28   29   55                                       
CONECT   28   27   56   57   58                                       
CONECT   29   27   59   60   61                                       
CONECT   30   21   21                                                 
CONECT   31   21                                                      
CONECT   32    6                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
