COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.795  -1.598   1.057  1.00  0.00           C  
HETATM    2  N   UNL     1       6.573  -1.462  -0.388  1.00  0.00           N  
HETATM    3  C   UNL     1       6.450  -2.778  -1.029  1.00  0.00           C  
HETATM    4  C   UNL     1       5.393  -0.630  -0.663  1.00  0.00           C  
HETATM    5  C   UNL     1       4.210  -1.137   0.155  1.00  0.00           C  
HETATM    6  C   UNL     1       2.964  -0.311  -0.080  1.00  0.00           C  
HETATM    7  C   UNL     1       2.169  -0.859  -1.287  1.00  0.00           C  
HETATM    8  C   UNL     1       0.690  -0.658  -0.870  1.00  0.00           C  
HETATM    9  C   UNL     1       0.802  -0.017   0.522  1.00  0.00           C  
HETATM   10  O   UNL     1       2.063  -0.472   1.046  1.00  0.00           O  
HETATM   11  C   UNL     1       0.907   1.489   0.367  1.00  0.00           C  
HETATM   12  C   UNL     1       2.218   2.024  -0.057  1.00  0.00           C  
HETATM   13  C   UNL     1       3.215   1.153  -0.282  1.00  0.00           C  
HETATM   14  C   UNL     1       4.533   1.696  -0.759  1.00  0.00           C  
HETATM   15  O   UNL     1       4.704   3.024  -0.259  1.00  0.00           O  
HETATM   16  C   UNL     1       5.684   0.821  -0.267  1.00  0.00           C  
HETATM   17  O   UNL     1       6.905   1.248  -0.874  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.112   2.291   0.595  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.491   1.838   0.989  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.617   0.344   0.818  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.723   0.006  -0.670  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.760  -0.327   1.577  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.241  -1.738   1.944  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.774  -1.811   1.443  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.359  -0.340   1.416  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.978  -0.432   0.697  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.038   0.394   0.919  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.174   0.298   0.100  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.296   1.123   0.281  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.335   0.996  -0.511  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.383   0.110  -1.496  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.347  -0.736  -1.754  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.197  -0.660  -0.947  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.088  -1.494  -1.146  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.000  -1.368  -0.335  1.00  0.00           C  
HETATM   36  H   UNL     1       7.755  -2.084   1.233  1.00  0.00           H  
HETATM   37  H   UNL     1       6.798  -0.611   1.519  1.00  0.00           H  
HETATM   38  H   UNL     1       5.998  -2.201   1.492  1.00  0.00           H  
HETATM   39  H   UNL     1       5.608  -3.316  -0.595  1.00  0.00           H  
HETATM   40  H   UNL     1       6.286  -2.647  -2.099  1.00  0.00           H  
HETATM   41  H   UNL     1       7.366  -3.347  -0.869  1.00  0.00           H  
HETATM   42  H   UNL     1       5.151  -0.680  -1.725  1.00  0.00           H  
HETATM   43  H   UNL     1       4.006  -2.172  -0.119  1.00  0.00           H  
HETATM   44  H   UNL     1       4.468  -1.096   1.213  1.00  0.00           H  
HETATM   45  H   UNL     1       5.764   0.896   0.817  1.00  0.00           H  
HETATM   46  H   UNL     1       2.396  -0.287  -2.187  1.00  0.00           H  
HETATM   47  H   UNL     1       2.384  -1.917  -1.439  1.00  0.00           H  
HETATM   48  H   UNL     1       0.183   0.014  -1.564  1.00  0.00           H  
HETATM   49  H   UNL     1       0.172  -1.615  -0.813  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.172   0.037   2.421  1.00  0.00           H  
HETATM   51  H   UNL     1       2.370   3.086  -0.182  1.00  0.00           H  
HETATM   52  H   UNL     1       0.055   3.353   0.492  1.00  0.00           H  
HETATM   53  H   UNL     1       4.540   1.719  -1.849  1.00  0.00           H  
HETATM   54  H   UNL     1       5.535   3.441  -0.526  1.00  0.00           H  
HETATM   55  H   UNL     1       7.150   2.160  -0.665  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.673   2.099   2.032  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.229   2.337   0.360  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.080   0.676  -1.241  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.408  -1.025  -0.832  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.756   0.126  -0.997  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.994   0.236   2.481  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.275  -1.880   3.024  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.844  -2.499   1.447  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.155  -2.368   2.146  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.729  -2.258   0.450  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.005   1.118   1.720  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.144  -2.008  -0.491  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.304   1.860   1.070  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.269   0.057  -2.112  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.407  -1.451  -2.561  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.093  -2.227  -1.939  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3    4                                            
CONECT    3    2   39   40   41                                       
CONECT    4    2    5   16   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7   10   13                                       
CONECT    7    6    8   46   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9    8   10   11   25                                       
CONECT   10    6    9                                                 
CONECT   11    9   12   18   18                                       
CONECT   12   11   13   13   51                                       
CONECT   13    6   12   12   14                                       
CONECT   14   13   15   16   53                                       
CONECT   15   14   54                                                 
CONECT   16    4   14   17   45                                       
CONECT   17   16   55                                                 
CONECT   18   11   11   19   52                                       
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   22   25                                       
CONECT   21   20   58   59   60                                       
CONECT   22   20   23   26   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   23   25   64   65                                       
CONECT   25    9   20   24   50                                       
CONECT   26   22   27   35   35                                       
CONECT   27   26   28   28   66                                       
CONECT   28   27   27   29   33                                       
CONECT   29   28   30   30   68                                       
CONECT   30   29   29   31                                            
CONECT   31   30   32   32   69                                       
CONECT   32   31   31   33   70                                       
CONECT   33   28   32   34   34                                       
CONECT   34   33   33   35   71                                       
CONECT   35   26   26   34   67                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45   16                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   25                                                      
CONECT   51   12                                                      
CONECT   52   18                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   35                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
