COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.112  -2.314   0.032  1.00  0.00           O  
HETATM    2  C   UNL     1       1.400  -1.329   0.010  1.00  0.00           C  
HETATM    3  N   UNL     1       1.974  -0.115   0.005  1.00  0.00           N  
HETATM    4  C   UNL     1       3.436  -0.012   0.027  1.00  0.00           C  
HETATM    5  C   UNL     1       3.913   0.729  -1.223  1.00  0.00           C  
HETATM    6  C   UNL     1       5.439   0.837  -1.200  1.00  0.00           C  
HETATM    7  C   UNL     1       5.878   1.606   0.048  1.00  0.00           C  
HETATM    8  C   UNL     1       5.400   0.864   1.298  1.00  0.00           C  
HETATM    9  C   UNL     1       3.874   0.757   1.275  1.00  0.00           C  
HETATM   10  C   UNL     1       1.224   1.024  -0.019  1.00  0.00           C  
HETATM   11  O   UNL     1       1.818   2.232  -0.023  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.168   0.919  -0.040  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.015   2.115  -0.068  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.353   1.996   0.042  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.208   3.177  -0.101  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.651   2.776   0.063  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.937   1.621   0.277  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.620   3.700  -0.029  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.511   3.216  -0.189  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.757  -0.424  -0.035  1.00  0.00           C  
HETATM   21  N   UNL     1       0.067  -1.492  -0.015  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.498  -2.843  -0.010  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.345  -3.047  -1.268  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.934  -4.459  -1.262  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.812  -4.640  -0.022  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.965  -4.437   1.236  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.375  -3.025   1.230  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.965  -0.573  -0.052  1.00  0.00           O  
HETATM   29  H   UNL     1       3.870  -1.012   0.045  1.00  0.00           H  
HETATM   30  H   UNL     1       3.601   0.181  -2.112  1.00  0.00           H  
HETATM   31  H   UNL     1       3.479   1.729  -1.240  1.00  0.00           H  
HETATM   32  H   UNL     1       5.874  -0.163  -1.182  1.00  0.00           H  
HETATM   33  H   UNL     1       5.780   1.365  -2.091  1.00  0.00           H  
HETATM   34  H   UNL     1       6.965   1.682   0.064  1.00  0.00           H  
HETATM   35  H   UNL     1       5.444   2.605   0.030  1.00  0.00           H  
HETATM   36  H   UNL     1       5.835  -0.135   1.316  1.00  0.00           H  
HETATM   37  H   UNL     1       5.713   1.412   2.187  1.00  0.00           H  
HETATM   38  H   UNL     1       3.440   1.756   1.258  1.00  0.00           H  
HETATM   39  H   UNL     1       3.534   0.228   2.166  1.00  0.00           H  
HETATM   40  H   UNL     1       1.243   3.003  -0.122  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.750   1.128   0.215  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.946   3.910   0.662  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.063   3.614  -1.089  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.531   3.395   0.084  1.00  0.00           H  
HETATM   45  H   UNL     1       0.310  -3.575   0.006  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.153  -2.316  -1.284  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.720  -2.918  -2.151  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.538  -4.604  -2.158  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.126  -5.190  -1.246  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.620  -3.909  -0.038  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.232  -5.646  -0.018  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.589  -4.566   2.120  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.156  -5.168   1.252  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.771  -2.880   2.126  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.183  -2.293   1.214  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   21    1    1                                       
CONECT    3   10    4    2                                            
CONECT    4    3    5    9   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6    8   34   35                                       
CONECT    8    9    7   36   37                                       
CONECT    9    4    8   38   39                                       
CONECT   10   11   12   12    3                                       
CONECT   11   10   40                                                 
CONECT   12   13   10   10   20                                       
CONECT   13   19   19   14   12                                       
CONECT   14   15   13   41                                            
CONECT   15   16   14   42   43                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   44                                                 
CONECT   19   13   13                                                 
CONECT   20   12   28   28   21                                       
CONECT   21   20    2   22                                            
CONECT   22   21   23   27   45                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   25   48   49                                       
CONECT   25   24   26   50   51                                       
CONECT   26   27   25   52   53                                       
CONECT   27   22   26   54   55                                       
CONECT   28   20   20                                                 
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
