COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.750   0.985   0.545  1.00  0.00           C  
HETATM    2  C   UNL     1       5.386   1.244  -0.098  1.00  0.00           C  
HETATM    3  O   UNL     1       4.543   0.073   0.068  1.00  0.00           O  
HETATM    4  C   UNL     1       3.298   0.138  -0.446  1.00  0.00           C  
HETATM    5  O   UNL     1       2.928   1.145  -1.017  1.00  0.00           O  
HETATM    6  C   UNL     1       2.389  -1.010  -0.316  1.00  0.00           C  
HETATM    7  C   UNL     1       2.871  -2.319  -0.452  1.00  0.00           C  
HETATM    8  N   UNL     1       2.075  -3.356  -0.340  1.00  0.00           N  
HETATM    9  C   UNL     1       0.773  -3.226  -0.091  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.240  -4.129   0.067  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.437  -3.450   0.315  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.222  -2.157   0.321  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.237  -1.099   0.549  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.025  -0.128   1.528  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.968   0.859   1.742  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.125   0.890   0.991  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.349  -0.077   0.008  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.550  -0.043  -0.772  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.503  -0.016  -1.390  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.398  -1.071  -0.216  1.00  0.00           C  
HETATM   21  C   UNL     1       0.204  -1.949   0.061  1.00  0.00           C  
HETATM   22  C   UNL     1       1.021  -0.812  -0.046  1.00  0.00           C  
HETATM   23  N   UNL     1       0.500   0.457   0.103  1.00  0.00           N  
HETATM   24  C   UNL     1       1.367   1.286   0.953  1.00  0.00           C  
HETATM   25  C   UNL     1       0.724   2.662   1.140  1.00  0.00           C  
HETATM   26  O   UNL     1       0.496   3.255  -0.142  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.345   2.474  -0.996  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.721   2.312  -0.347  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.387   3.619  -0.277  1.00  0.00           N  
HETATM   30  C   UNL     1       0.288   1.096  -1.204  1.00  0.00           C  
HETATM   31  H   UNL     1       7.383   1.864   0.421  1.00  0.00           H  
HETATM   32  H   UNL     1       6.618   0.780   1.608  1.00  0.00           H  
HETATM   33  H   UNL     1       7.221   0.127   0.066  1.00  0.00           H  
HETATM   34  H   UNL     1       4.915   2.102   0.382  1.00  0.00           H  
HETATM   35  H   UNL     1       5.518   1.449  -1.160  1.00  0.00           H  
HETATM   36  H   UNL     1       3.920  -2.477  -0.655  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.144  -5.093   0.014  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.122  -0.147   2.120  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.799   1.608   2.501  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.859   1.664   1.164  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.564  -1.819  -0.978  1.00  0.00           H  
HETATM   42  H   UNL     1       1.491   0.807   1.924  1.00  0.00           H  
HETATM   43  H   UNL     1       2.341   1.401   0.477  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.225   2.552   1.664  1.00  0.00           H  
HETATM   45  H   UNL     1       1.390   3.299   1.722  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.453   2.975  -1.958  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.326   1.628  -0.943  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.604   1.909   0.659  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.450   4.043  -1.191  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.298   3.539   0.148  1.00  0.00           H  
HETATM   51  H   UNL     1       1.244   1.208  -1.715  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.377   0.477  -1.808  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    7   22                                       
CONECT    7    6    6    8   36                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   21                                       
CONECT   10    9   11   37                                            
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   21                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13   15   38                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   20   20                                       
CONECT   18   17   19   19   19                                       
CONECT   19   18   18   18                                            
CONECT   20   13   17   17   41                                       
CONECT   21    9   12   22   22                                       
CONECT   22    6   21   21   23                                       
CONECT   23   22   24   30                                            
CONECT   24   23   25   42   43                                       
CONECT   25   24   26   44   45                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   30   46                                       
CONECT   28   27   29   47   48                                       
CONECT   29   28   49   50                                            
CONECT   30   23   27   51   52                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
