COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.807  -0.669  -0.008  1.00  0.00           C  
HETATM    2  C   UNL     1       1.597   0.724   0.021  1.00  0.00           C  
HETATM    3  C   UNL     1       0.285   1.195   0.050  1.00  0.00           C  
HETATM    4  C   UNL     1       3.749   0.392  -0.020  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.706   0.319   0.051  1.00  0.00           N  
HETATM    6  N   UNL     1      -1.545  -1.863   0.024  1.00  0.00           N  
HETATM    7  N   UNL     1       0.759  -1.480  -0.007  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.681  -0.698  -0.185  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.100  -0.186   0.069  1.00  0.00           C  
HETATM   10  N   UNL     1      -9.171   1.242  -0.270  1.00  0.00           N  
HETATM   11  C   UNL     1      -8.940   1.455  -1.705  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.221   2.020   0.537  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.801   1.508   0.283  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.730   0.080   0.622  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.427  -0.407   0.471  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.378   0.193   1.153  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.092  -0.288   1.005  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.185  -1.495  -0.357  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.899  -1.979  -0.502  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.848  -1.372   0.172  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.470  -0.986   0.023  1.00  0.00           C  
HETATM   22  N   UNL     1       2.820   1.315   0.012  1.00  0.00           N  
HETATM   23  N   UNL     1       3.171  -0.849  -0.038  1.00  0.00           N  
HETATM   24  C   UNL     1       3.875  -2.133  -0.074  1.00  0.00           C  
HETATM   25  C   UNL     1       4.770  -2.259   1.161  1.00  0.00           C  
HETATM   26  C   UNL     1       5.505  -3.599   1.123  1.00  0.00           C  
HETATM   27  C   UNL     1       6.366  -3.674  -0.140  1.00  0.00           C  
HETATM   28  C   UNL     1       5.472  -3.548  -1.375  1.00  0.00           C  
HETATM   29  C   UNL     1       4.736  -2.207  -1.337  1.00  0.00           C  
HETATM   30  N   UNL     1       5.108   0.634  -0.037  1.00  0.00           N  
HETATM   31  C   UNL     1       5.583   1.949  -0.048  1.00  0.00           C  
HETATM   32  C   UNL     1       6.812   2.250   0.527  1.00  0.00           C  
HETATM   33  C   UNL     1       7.279   3.549   0.515  1.00  0.00           C  
HETATM   34  C   UNL     1       6.525   4.551  -0.069  1.00  0.00           C  
HETATM   35  C   UNL     1       5.301   4.255  -0.642  1.00  0.00           C  
HETATM   36  C   UNL     1       4.831   2.956  -0.638  1.00  0.00           C  
HETATM   37  H   UNL     1       0.081   2.256   0.073  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.394  -2.816  -0.077  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.618  -1.750   0.093  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.437  -0.586  -1.242  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.804  -0.742  -0.551  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.354  -0.323   1.120  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.698   0.922  -2.278  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.998   2.520  -1.929  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.952   1.081  -1.973  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.283   3.072   0.259  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.465   1.908   1.594  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.548   1.645  -0.768  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.098   2.065   0.902  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.567   1.037   1.801  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.276   0.180   1.535  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.001  -1.963  -0.888  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.710  -2.823  -1.150  1.00  0.00           H  
HETATM   54  H   UNL     1       3.149  -2.945  -0.081  1.00  0.00           H  
HETATM   55  H   UNL     1       5.496  -1.446   1.168  1.00  0.00           H  
HETATM   56  H   UNL     1       4.156  -2.206   2.060  1.00  0.00           H  
HETATM   57  H   UNL     1       6.143  -3.689   2.003  1.00  0.00           H  
HETATM   58  H   UNL     1       4.779  -4.412   1.116  1.00  0.00           H  
HETATM   59  H   UNL     1       7.092  -2.861  -0.133  1.00  0.00           H  
HETATM   60  H   UNL     1       6.890  -4.629  -0.167  1.00  0.00           H  
HETATM   61  H   UNL     1       6.085  -3.601  -2.274  1.00  0.00           H  
HETATM   62  H   UNL     1       4.745  -4.361  -1.382  1.00  0.00           H  
HETATM   63  H   UNL     1       4.099  -2.117  -2.217  1.00  0.00           H  
HETATM   64  H   UNL     1       5.462  -1.394  -1.330  1.00  0.00           H  
HETATM   65  H   UNL     1       5.733  -0.108  -0.042  1.00  0.00           H  
HETATM   66  H   UNL     1       7.400   1.468   0.984  1.00  0.00           H  
HETATM   67  H   UNL     1       8.233   3.784   0.962  1.00  0.00           H  
HETATM   68  H   UNL     1       6.890   5.567  -0.074  1.00  0.00           H  
HETATM   69  H   UNL     1       4.715   5.040  -1.097  1.00  0.00           H  
HETATM   70  H   UNL     1       3.876   2.726  -1.087  1.00  0.00           H  
CONECT    1   23    2    7    7                                       
CONECT    2   22    3    3    1                                       
CONECT    3    2    2    5   37                                       
CONECT    4   30   22   22   23                                       
CONECT    5    3   21   21                                            
CONECT    6   21   20   38                                            
CONECT    7    1    1   21                                            
CONECT    8   14    9   39   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   12   11                                            
CONECT   11   10   43   44   45                                       
CONECT   12   13   10   46   47                                       
CONECT   13   14   12   48   49                                       
CONECT   14   15    8   13                                            
CONECT   15   18   18   16   14                                       
CONECT   16   17   17   15   50                                       
CONECT   17   20   16   16   51                                       
CONECT   18   19   15   15   52                                       
CONECT   19   20   20   18   53                                       
CONECT   20    6   19   19   17                                       
CONECT   21    5    5    7    6                                       
CONECT   22    4    4    2                                            
CONECT   23    4   24    1                                            
CONECT   24   23   25   29   54                                       
CONECT   25   24   26   55   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   26   28   59   60                                       
CONECT   28   29   27   61   62                                       
CONECT   29   24   28   63   64                                       
CONECT   30   31    4   65                                            
CONECT   31   36   36   32   30                                       
CONECT   32   33   33   31   66                                       
CONECT   33   34   32   32   67                                       
CONECT   34   35   35   33   68                                       
CONECT   35   34   34   36   69                                       
CONECT   36   35   31   31   70                                       
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
