COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.031  -2.579   0.322  1.00  0.00           C  
HETATM    2  C   UNL     1       1.310  -0.078   0.028  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.119   0.299  -0.040  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.680   1.100   0.957  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.256   1.408  -0.210  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.930   0.825   0.463  1.00  0.00           C  
HETATM    7  C   UNL     1       6.963  -0.067  -1.120  1.00  0.00           C  
HETATM    8  C   UNL     1       6.110  -0.224   0.141  1.00  0.00           C  
HETATM    9  C   UNL     1       6.915   0.230   1.361  1.00  0.00           C  
HETATM   10  C   UNL     1       4.868   0.619   0.016  1.00  0.00           C  
HETATM   11  C   UNL     1       4.973   1.982  -0.146  1.00  0.00           C  
HETATM   12  C   UNL     1       3.836   2.772  -0.262  1.00  0.00           C  
HETATM   13  C   UNL     1       2.593   2.207  -0.220  1.00  0.00           C  
HETATM   14  C   UNL     1       2.463   0.826  -0.057  1.00  0.00           C  
HETATM   15  C   UNL     1       3.610   0.021   0.062  1.00  0.00           C  
HETATM   16  CA  UNL     1       1.823  -1.353   0.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.014   1.453   0.896  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.802   1.018  -0.152  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.253   0.218  -1.157  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.072  -0.232  -2.243  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.907  -0.138  -1.103  1.00  0.00           C  
HETATM   22  N   UNL     1       3.201  -1.283   0.210  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.721  -0.588  -3.104  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.184  -2.524   0.287  1.00  0.00           O  
HETATM   25  OXT UNL     1       1.649  -3.768   0.477  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.162  -1.063  -0.054  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.910   0.193   2.036  1.00  0.00           O  
HETATM   28  S   UNL     1      -5.251   0.164   0.657  1.00  0.00           S  
HETATM   29  H   UNL     1      -0.070   1.443   1.780  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.392   2.379   0.267  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.575   1.467  -1.251  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.986   1.812   0.920  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.169   0.900  -0.597  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.641   0.157   0.950  1.00  0.00           H  
HETATM   35  H   UNL     1       7.862  -0.677  -1.029  1.00  0.00           H  
HETATM   36  H   UNL     1       6.390  -0.391  -1.988  1.00  0.00           H  
HETATM   37  H   UNL     1       7.245   0.979  -1.239  1.00  0.00           H  
HETATM   38  H   UNL     1       5.829  -1.271   0.261  1.00  0.00           H  
HETATM   39  H   UNL     1       6.307   0.118   2.259  1.00  0.00           H  
HETATM   40  H   UNL     1       7.813  -0.380   1.451  1.00  0.00           H  
HETATM   41  H   UNL     1       7.196   1.276   1.241  1.00  0.00           H  
HETATM   42  H   UNL     1       5.949   2.443  -0.181  1.00  0.00           H  
HETATM   43  H   UNL     1       3.936   3.840  -0.388  1.00  0.00           H  
HETATM   44  H   UNL     1       1.713   2.828  -0.311  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.442   2.071   1.671  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.478  -0.757  -1.877  1.00  0.00           H  
HETATM   47  H   UNL     1       3.794  -2.044   0.313  1.00  0.00           H  
HETATM   48  HXT UNL     1       1.044  -4.518   0.555  1.00  0.00           H  
CONECT    1   24   24   25   16                                       
CONECT    2    3   16   16   14                                       
CONECT    3   21   21    4    2                                       
CONECT    4   17   17    3   29                                       
CONECT    5   28   18   30   31                                       
CONECT    6   28   32   33   34                                       
CONECT    7    8   35   36   37                                       
CONECT    8   10    7    9   38                                       
CONECT    9    8   39   40   41                                       
CONECT   10   15   15   11    8                                       
CONECT   11   12   12   10   42                                       
CONECT   12   13   11   11   43                                       
CONECT   13   14   14   12   44                                       
CONECT   14    2   13   13   15                                       
CONECT   15   14   22   10   10                                       
CONECT   16    1    2    2   22                                       
CONECT   17   18    4    4   45                                       
CONECT   18    5   19   19   17                                       
CONECT   19   20   18   18   21                                       
CONECT   20   23   23   23   19                                       
CONECT   21   19    3    3   46                                       
CONECT   22   16   15   47                                            
CONECT   23   20   20   20                                            
CONECT   24    1    1                                                 
CONECT   25    1   48                                                 
CONECT   26   28   28                                                 
CONECT   27   28   28                                                 
CONECT   28   27   27   26   26                                       
CONECT   28    6    5                                                 
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
