COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.806  -0.284  -0.729  1.00  0.00           C  
HETATM    2  C   UNL     1       2.048  -4.269   0.494  1.00  0.00           C  
HETATM    3  C   UNL     1       1.838  -5.320  -0.598  1.00  0.00           C  
HETATM    4  C   UNL     1       3.130  -5.316   0.223  1.00  0.00           C  
HETATM    5  C   UNL     1       3.880  -1.171  -0.630  1.00  0.00           C  
HETATM    6  C   UNL     1       3.107   2.043  -0.163  1.00  0.00           C  
HETATM    7  C   UNL     1       3.626  -2.470  -0.233  1.00  0.00           C  
HETATM    8  C   UNL     1       3.302   3.978   1.676  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.646   3.739  -0.944  1.00  0.00           C  
HETATM   10  C   UNL     1       3.168   1.735   1.194  1.00  0.00           C  
HETATM   11  C   UNL     1       3.150   3.383  -0.538  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.325   0.322  -0.038  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.964   0.615  -0.310  1.00  0.00           C  
HETATM   14  C   UNL     1       1.519  -0.743  -0.417  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.010   1.428  -0.252  1.00  0.00           N  
HETATM   16  N   UNL     1       1.328  -2.001  -0.034  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.872  -0.977   0.398  1.00  0.00           C  
HETATM   18  C   UNL     1       0.369   0.178  -0.515  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.943   1.923  -0.680  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.223   2.374  -0.621  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.871  -0.259  -0.218  1.00  0.00           N  
HETATM   22  C   UNL     1       2.323  -2.854   0.055  1.00  0.00           C  
HETATM   23  N   UNL     1       3.011   1.032  -1.123  1.00  0.00           N  
HETATM   24  N   UNL     1      -5.203  -1.134   0.542  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.122  -1.907   0.626  1.00  0.00           O  
HETATM   26  O   UNL     1       0.540   1.331  -0.862  1.00  0.00           O  
HETATM   27  N   UNL     1       3.264   2.721   2.071  1.00  0.00           N  
HETATM   28  N   UNL     1       3.247   4.309   0.401  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.741  -2.400   1.046  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.111  -0.038   0.194  1.00  0.00           C  
HETATM   31  H   UNL     1       1.466  -4.372   1.411  1.00  0.00           H  
HETATM   32  H   UNL     1       1.119  -6.115  -0.400  1.00  0.00           H  
HETATM   33  H   UNL     1       1.899  -4.988  -1.634  1.00  0.00           H  
HETATM   34  H   UNL     1       4.040  -4.982  -0.274  1.00  0.00           H  
HETATM   35  H   UNL     1       3.260  -6.108   0.960  1.00  0.00           H  
HETATM   36  H   UNL     1       4.885  -0.850  -0.859  1.00  0.00           H  
HETATM   37  H   UNL     1       4.434  -3.181  -0.147  1.00  0.00           H  
HETATM   38  H   UNL     1       3.380   4.759   2.418  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.618   4.351  -0.042  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.974   4.161  -1.691  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.662   3.720  -1.339  1.00  0.00           H  
HETATM   42  H   UNL     1       3.137   0.708   1.526  1.00  0.00           H  
HETATM   43  H   UNL     1       3.106   3.662  -1.580  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.073   2.497  -0.963  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.008  -1.179   0.059  1.00  0.00           H  
HETATM   46  H   UNL     1       3.088   1.249  -2.066  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.813  -2.357   2.133  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.732  -2.568   0.624  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.080  -3.217   0.758  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.321  -0.066  -0.875  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.043  -0.148   0.749  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.647   0.914   0.449  1.00  0.00           H  
CONECT    1   14   14    5   23                                       
CONECT    2   22    3    4   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    2    3   34   35                                       
CONECT    5    1    7    7   36                                       
CONECT    6   23   11   10   10                                       
CONECT    7   22    5    5   37                                       
CONECT    8   27   27   28   38                                       
CONECT    9   20   39   40   41                                       
CONECT   10   27    6    6   42                                       
CONECT   11   28   28    6   43                                       
CONECT   12   15   15   17   13                                       
CONECT   13   12   19   19   21                                       
CONECT   14    1    1   16   18                                       
CONECT   15   12   12   20                                            
CONECT   16   14   22   22                                            
CONECT   17   12   25   25   24                                       
CONECT   18   14   21   26   26                                       
CONECT   19   13   13   20   44                                       
CONECT   20   15   19    9                                            
CONECT   21   13   18   45                                            
CONECT   22   16   16    7    2                                       
CONECT   23    1    6   46                                            
CONECT   24   17   29   30                                            
CONECT   25   17   17                                                 
CONECT   26   18   18                                                 
CONECT   27    8    8   10                                            
CONECT   28    8   11   11                                            
CONECT   29   24   47   48   49                                       
CONECT   30   24   50   51   52                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
