COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.168  -0.246   1.681  1.00  0.00           O  
HETATM    2  C   UNL     1       4.036  -0.021   0.496  1.00  0.00           C  
HETATM    3  N   UNL     1       4.892  -0.562  -0.393  1.00  0.00           N  
HETATM    4  C   UNL     1       5.983  -1.422   0.072  1.00  0.00           C  
HETATM    5  C   UNL     1       6.886  -0.632   1.021  1.00  0.00           C  
HETATM    6  C   UNL     1       5.402  -2.631   0.809  1.00  0.00           C  
HETATM    7  C   UNL     1       6.801  -1.902  -1.129  1.00  0.00           C  
HETATM    8  O   UNL     1       7.866  -2.741  -0.675  1.00  0.00           O  
HETATM    9  C   UNL     1       2.909   0.858   0.018  1.00  0.00           C  
HETATM   10  C   UNL     1       3.464   2.024  -0.690  1.00  0.00           C  
HETATM   11  N   UNL     1       3.891   2.924  -1.236  1.00  0.00           N  
HETATM   12  C   UNL     1       2.088   1.334   1.218  1.00  0.00           C  
HETATM   13  C   UNL     1       0.892   2.111   0.732  1.00  0.00           C  
HETATM   14  C   UNL     1       0.993   3.484   0.544  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.077   4.210   0.104  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.287   3.571  -0.160  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.511   4.006  -0.599  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.383   2.916  -0.688  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.766   1.818  -0.326  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.350   0.456  -0.286  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.563  -0.651  -0.599  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.110  -1.921  -0.561  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.342  -3.002  -0.865  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.980  -2.751  -1.215  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.445  -2.094  -0.211  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.982  -3.344  -0.173  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.903  -4.047   1.069  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.232  -0.991   0.101  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.537  -1.162   0.443  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.287   0.015   0.752  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.687   0.281   0.069  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.390   2.181   0.031  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.280   1.459   0.476  1.00  0.00           C  
HETATM   34  H   UNL     1       4.786  -0.383  -1.340  1.00  0.00           H  
HETATM   35  H   UNL     1       6.303  -0.291   1.877  1.00  0.00           H  
HETATM   36  H   UNL     1       7.698  -1.272   1.367  1.00  0.00           H  
HETATM   37  H   UNL     1       7.300   0.229   0.497  1.00  0.00           H  
HETATM   38  H   UNL     1       4.759  -3.194   0.132  1.00  0.00           H  
HETATM   39  H   UNL     1       6.214  -3.271   1.154  1.00  0.00           H  
HETATM   40  H   UNL     1       4.819  -2.289   1.664  1.00  0.00           H  
HETATM   41  H   UNL     1       6.158  -2.465  -1.805  1.00  0.00           H  
HETATM   42  H   UNL     1       7.215  -1.041  -1.653  1.00  0.00           H  
HETATM   43  H   UNL     1       8.427  -3.082  -1.385  1.00  0.00           H  
HETATM   44  H   UNL     1       2.269   0.293  -0.660  1.00  0.00           H  
HETATM   45  H   UNL     1       1.751   0.470   1.793  1.00  0.00           H  
HETATM   46  H   UNL     1       2.704   1.973   1.850  1.00  0.00           H  
HETATM   47  H   UNL     1       1.929   3.983   0.748  1.00  0.00           H  
HETATM   48  H   UNL     1       0.014   5.277  -0.038  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.737   4.924  -0.813  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.526  -0.517  -0.871  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.476  -2.258  -0.384  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.481  -3.695  -1.434  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.943  -2.109  -2.095  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.425  -3.481   1.840  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.366  -5.027   0.961  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.857  -4.168   1.351  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.310  -0.262   1.007  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.827   0.527   1.597  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.295   0.678  -0.114  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.297   1.137   0.316  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.350   0.391   0.620  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    9    1    1                                       
CONECT    3    4    2   34                                            
CONECT    4    7    5    3    6                                       
CONECT    5    4   35   36   37                                       
CONECT    6    4   38   39   40                                       
CONECT    7    8    4   41   42                                       
CONECT    8    7   43                                                 
CONECT    9   10    2   12   44                                       
CONECT   10   11   11   11    9                                       
CONECT   11   10   10   10                                            
CONECT   12    9   13   45   46                                       
CONECT   13   14   12   33   33                                       
CONECT   14   15   15   13   47                                       
CONECT   15   14   14   16   48                                       
CONECT   16   15   17   32   32                                       
CONECT   17   16   18   49                                            
CONECT   18   17   19   19                                            
CONECT   19   32   18   18   20                                       
CONECT   20   19   31   31   21                                       
CONECT   21   20   22   22   50                                       
CONECT   22   21   21   25   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   51   52   53                                       
CONECT   25   28   28   22   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   54   55   56                                       
CONECT   28   31   29   25   25                                       
CONECT   29   28   30                                                 
CONECT   30   29   57   58   59                                       
CONECT   31   20   20   28   60                                       
CONECT   32   16   16   33   19                                       
CONECT   33   13   13   32   61                                       
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
