COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.888   4.733  -0.047  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.043   2.654  -0.013  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.525  -3.634   0.048  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.439   2.714   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.293   0.609   0.022  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.079   1.267   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.036  -1.775   0.012  1.00  0.00           C  
HETATM    8  C   UNL     1       0.338  -2.163  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1       0.111  -3.542   0.007  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.255  -3.150   0.029  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.677  -5.055   0.065  1.00  0.00           C  
HETATM   12  C   UNL     1       1.717  -1.642  -0.019  1.00  0.00           C  
HETATM   13  C   UNL     1       3.714   1.863   1.198  1.00  0.00           C  
HETATM   14  C   UNL     1       4.365   4.282   0.827  1.00  0.00           C  
HETATM   15  C   UNL     1       3.766   4.140  -0.586  1.00  0.00           C  
HETATM   16  C   UNL     1       4.498   3.126  -1.423  1.00  0.00           C  
HETATM   17  C   UNL     1       3.777   1.769  -1.291  1.00  0.00           C  
HETATM   18  C   UNL     1       4.089  -1.416  -0.039  1.00  0.00           C  
HETATM   19  C   UNL     1       2.990  -2.461  -0.023  1.00  0.00           C  
HETATM   20  C   UNL     1       3.062  -3.336  -1.276  1.00  0.00           C  
HETATM   21  C   UNL     1       3.082  -3.319   1.240  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.849   3.304  -0.033  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.227   3.376  -0.014  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.472   1.332   0.015  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.794   0.480  -0.004  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.092  -0.918   0.014  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.745  -1.280  -0.002  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.180  -4.027   0.026  1.00  0.00           C  
HETATM   29  N   UNL     1       2.069  -0.396  -0.036  1.00  0.00           N  
HETATM   30  N   UNL     1       3.450  -0.228  -0.046  1.00  0.00           N  
HETATM   31  C   UNL     1       4.124   1.073  -0.061  1.00  0.00           C  
HETATM   32  C   UNL     1       4.747   2.927   1.452  1.00  0.00           C  
HETATM   33  O   UNL     1       5.286  -1.607  -0.045  1.00  0.00           O  
HETATM   34  H   UNL     1      -1.871   5.124  -0.062  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.421   5.072  -0.935  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.403   5.091   0.844  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.361   3.275  -0.004  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.321  -0.470   0.033  1.00  0.00           H  
HETATM   39  H   UNL     1       0.945  -4.227   0.005  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.195  -5.462   0.954  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.738  -5.306   0.080  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.216  -5.481  -0.826  1.00  0.00           H  
HETATM   43  H   UNL     1       2.741   2.329   1.037  1.00  0.00           H  
HETATM   44  H   UNL     1       3.661   1.189   2.052  1.00  0.00           H  
HETATM   45  H   UNL     1       5.257   4.907   0.769  1.00  0.00           H  
HETATM   46  H   UNL     1       3.636   4.773   1.470  1.00  0.00           H  
HETATM   47  H   UNL     1       2.723   3.837  -0.497  1.00  0.00           H  
HETATM   48  H   UNL     1       4.497   3.443  -2.466  1.00  0.00           H  
HETATM   49  H   UNL     1       2.700   1.939  -1.309  1.00  0.00           H  
HETATM   50  H   UNL     1       4.049   1.141  -2.140  1.00  0.00           H  
HETATM   51  H   UNL     1       4.018  -3.859  -1.300  1.00  0.00           H  
HETATM   52  H   UNL     1       2.251  -4.063  -1.259  1.00  0.00           H  
HETATM   53  H   UNL     1       2.970  -2.709  -2.163  1.00  0.00           H  
HETATM   54  H   UNL     1       3.004  -2.681   2.119  1.00  0.00           H  
HETATM   55  H   UNL     1       2.270  -4.046   1.245  1.00  0.00           H  
HETATM   56  H   UNL     1       4.038  -3.842   1.255  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.202   4.456  -0.025  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.421   0.815   0.026  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.226   0.718  -0.903  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.206   0.737   0.877  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.574  -0.214  -0.011  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.354  -5.093   0.035  1.00  0.00           H  
HETATM   63  H   UNL     1       5.202   0.912  -0.041  1.00  0.00           H  
HETATM   64  H   UNL     1       4.863   3.056   2.529  1.00  0.00           H  
HETATM   65  H   UNL     1       5.700   2.601   1.034  1.00  0.00           H  
HETATM   66  H   UNL     1       3.809   5.108  -1.086  1.00  0.00           H  
HETATM   67  H   UNL     1       5.526   3.034  -1.070  1.00  0.00           H  
CONECT    1   22   34   35   36                                       
CONECT    2   23   23    6   22                                       
CONECT    3   10   11                                                 
CONECT    4   24   24   23   37                                       
CONECT    5   24    6    6   38                                       
CONECT    6    5    5    2   25                                       
CONECT    7   27   26   10   10                                       
CONECT    8   12   27   27    9                                       
CONECT    9    8   28   28   39                                       
CONECT   10    7    7   28    3                                       
CONECT   11    3   40   41   42                                       
CONECT   12   19   29   29    8                                       
CONECT   13   32   31   43   44                                       
CONECT   14   32   15   45   46                                       
CONECT   15   14   16   47   66                                       
CONECT   16   15   17   48   67                                       
CONECT   17   31   16   49   50                                       
CONECT   18   33   33   30   19                                       
CONECT   19   21   18   12   20                                       
CONECT   20   19   51   52   53                                       
CONECT   21   19   54   55   56                                       
CONECT   22    2    1                                                 
CONECT   23    4    2    2   57                                       
CONECT   24    4    4    5   58                                       
CONECT   25    6   26   59   60                                       
CONECT   26    7   25                                                 
CONECT   27    8    8    7   61                                       
CONECT   28    9    9   10   62                                       
CONECT   29   30   12   12                                            
CONECT   30   18   31   29                                            
CONECT   31   13   30   17   63                                       
CONECT   32   13   14   64   65                                       
CONECT   33   18   18                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
