COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.734   0.041   0.376  1.00  0.00           C  
HETATM    2  C   UNL     1       3.973  -1.336   0.231  1.00  0.00           C  
HETATM    3  C   UNL     1       5.297  -1.796   0.343  1.00  0.00           C  
HETATM    4  C   UNL     1       1.839  -1.024   0.005  1.00  0.00           C  
HETATM    5  N   UNL     1       6.257  -0.908   0.580  1.00  0.00           N  
HETATM    6  N   UNL     1       4.760   0.853   0.611  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.931  -4.182  -1.863  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.047  -2.833  -1.150  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.115  -1.711  -2.188  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.316  -2.815  -0.296  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.251  -3.892   0.701  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.430  -1.487   0.407  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.098  -1.385   1.569  1.00  0.00           O  
HETATM   14  N   UNL     1      -3.901  -0.412  -0.256  1.00  0.00           N  
HETATM   15  S   UNL     1      -4.026   1.048   0.516  1.00  0.00           S  
HETATM   16  O   UNL     1      -4.515   1.971  -0.447  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.682   0.794   1.751  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.614   1.496   0.864  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.867   1.980  -0.254  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.470   2.401   0.210  1.00  0.00           C  
HETATM   21  O   UNL     1       0.268   1.247   0.646  1.00  0.00           O  
HETATM   22  C   UNL     1       0.307   3.024  -0.966  1.00  0.00           C  
HETATM   23  O   UNL     1       0.674   4.372  -0.664  1.00  0.00           O  
HETATM   24  C   UNL     1       1.567   2.136  -1.101  1.00  0.00           C  
HETATM   25  O   UNL     1       2.726   2.931  -1.359  1.00  0.00           O  
HETATM   26  C   UNL     1       1.650   1.475   0.299  1.00  0.00           C  
HETATM   27  N   UNL     1       2.381   0.207   0.228  1.00  0.00           N  
HETATM   28  N   UNL     1       2.776  -1.927   0.002  1.00  0.00           N  
HETATM   29  C   UNL     1       5.983   0.378   0.709  1.00  0.00           C  
HETATM   30  N   UNL     1       5.593  -3.141   0.210  1.00  0.00           N  
HETATM   31  H   UNL     1       0.789  -1.220  -0.150  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.027  -4.195  -2.471  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.883  -4.981  -1.123  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.802  -4.330  -2.502  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.177  -2.685  -0.510  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.211  -1.724  -2.796  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.985  -1.860  -2.827  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.197  -0.751  -1.679  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.187  -2.964  -0.935  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.240  -4.797   0.255  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.453  -3.777   1.306  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.167  -0.493  -1.185  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.779   1.192  -1.002  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.379   2.839  -0.689  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.552   3.119   1.026  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.288   2.987  -1.879  1.00  0.00           H  
HETATM   47  H   UNL     1       1.166   4.813  -1.370  1.00  0.00           H  
HETATM   48  H   UNL     1       1.433   1.384  -1.879  1.00  0.00           H  
HETATM   49  H   UNL     1       2.682   3.435  -2.183  1.00  0.00           H  
HETATM   50  H   UNL     1       2.120   2.150   1.015  1.00  0.00           H  
HETATM   51  H   UNL     1       6.794   1.065   0.902  1.00  0.00           H  
HETATM   52  H   UNL     1       4.884  -3.779   0.037  1.00  0.00           H  
HETATM   53  H   UNL     1       6.511  -3.445   0.289  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    5    5   30                                       
CONECT    4   27   28   28   31                                       
CONECT    5    3    3   29                                            
CONECT    6    1   29   29                                            
CONECT    7    8   32   33   34                                       
CONECT    8    7    9   10   35                                       
CONECT    9    8   36   37   38                                       
CONECT   10    8   11   12   39                                       
CONECT   11   10   40   41                                            
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   42                                            
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   22   45                                       
CONECT   21   20   26                                                 
CONECT   22   20   23   24   46                                       
CONECT   23   22   47                                                 
CONECT   24   22   25   26   48                                       
CONECT   25   24   49                                                 
CONECT   26   21   24   27   50                                       
CONECT   27    1    4   26                                            
CONECT   28    2    4    4                                            
CONECT   29    5    6    6   51                                       
CONECT   30    3   52   53                                            
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
