COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.528   1.584  -0.073  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.638   2.342   0.328  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.519   3.798   0.535  1.00  0.00           C  
HETATM    4  C   UNL     1       1.738   1.413  -0.570  1.00  0.00           C  
HETATM    5  C   UNL     1       2.700   1.164   0.399  1.00  0.00           C  
HETATM    6  C   UNL     1       3.788   0.367   0.103  1.00  0.00           C  
HETATM    7  C   UNL     1       3.919  -0.186  -1.162  1.00  0.00           C  
HETATM    8  C   UNL     1       2.958   0.063  -2.131  1.00  0.00           C  
HETATM    9  C   UNL     1       1.870   0.860  -1.836  1.00  0.00           C  
HETATM   10  O   UNL     1       4.991  -0.971  -1.453  1.00  0.00           O  
HETATM   11  C   UNL     1       7.136  -0.793  -0.439  1.00  0.00           C  
HETATM   12  C   UNL     1       7.997  -1.120   0.590  1.00  0.00           C  
HETATM   13  C   UNL     1       7.572  -1.947   1.613  1.00  0.00           C  
HETATM   14  C   UNL     1       6.283  -2.448   1.610  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.216  -0.419   0.522  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.778  -2.915   0.535  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.947  -1.761  -1.305  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.639   0.279  -0.258  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.862   1.692   0.527  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.921   0.325   0.320  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.780  -0.354  -0.070  1.00  0.00           C  
HETATM   22  O   UNL     1       0.664   2.194  -0.277  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.451   4.352   0.358  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.594   4.514   0.920  1.00  0.00           N  
HETATM   25  C   UNL     1       5.840  -1.291  -0.442  1.00  0.00           C  
HETATM   26  C   UNL     1       5.418  -2.125   0.583  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.029  -1.485   1.603  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.352  -2.219   1.832  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.819  -1.918  -0.544  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.629  -1.093  -0.790  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.989  -2.493  -1.078  1.00  0.00           N  
HETATM   32  H   UNL     1       2.598   1.595   1.384  1.00  0.00           H  
HETATM   33  H   UNL     1       4.536   0.174   0.857  1.00  0.00           H  
HETATM   34  H   UNL     1       3.060  -0.368  -3.116  1.00  0.00           H  
HETATM   35  H   UNL     1       1.121   1.054  -2.590  1.00  0.00           H  
HETATM   36  H   UNL     1       7.469  -0.148  -1.239  1.00  0.00           H  
HETATM   37  H   UNL     1       9.004  -0.730   0.595  1.00  0.00           H  
HETATM   38  H   UNL     1       8.247  -2.201   2.417  1.00  0.00           H  
HETATM   39  H   UNL     1       5.953  -3.094   2.410  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.993   0.281   0.831  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.057  -3.694   0.285  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.766  -3.357   0.662  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.967  -1.025  -2.096  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.739   2.243   0.832  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.827  -1.421  -0.228  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.446   4.072   1.061  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.516   5.471   1.056  1.00  0.00           H  
HETATM   48  H   UNL     1       4.411  -2.517   0.581  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.269  -2.198   1.282  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.712  -1.010   2.531  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.119  -1.503   2.129  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.224  -2.963   2.619  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.859  -0.333  -1.536  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.815  -1.724  -1.148  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.787  -2.382  -1.617  1.00  0.00           H  
CONECT    1    2    2   18   22                                       
CONECT    2   19    3    1    1                                       
CONECT    3   23   23    2   24                                       
CONECT    4   22    9    9    5                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    8    8    6   10                                       
CONECT    8    9    7    7   34                                       
CONECT    9    4    4    8   35                                       
CONECT   10    7   25                                                 
CONECT   11   25   25   12   36                                       
CONECT   12   13   13   11   37                                       
CONECT   13   14   12   12   38                                       
CONECT   14   26   26   13   39                                       
CONECT   15   27   30   20   40                                       
CONECT   16   28   29   41   42                                       
CONECT   17   31   31   29   43                                       
CONECT   18   21   21    1                                            
CONECT   19   20   20    2   44                                       
CONECT   20   15   19   19   21                                       
CONECT   21   20   18   18   45                                       
CONECT   22    1    4                                                 
CONECT   23    3    3                                                 
CONECT   24    3   46   47                                            
CONECT   25   26   10   11   11                                       
CONECT   26   14   14   25   48                                       
CONECT   27   28   15   49   50                                       
CONECT   28   16   27   51   52                                       
CONECT   29   16   17   30                                            
CONECT   30   29   15   53   54                                       
CONECT   31   17   17   55                                            
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
