COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.436  -1.091  -0.138  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.437   1.547  -0.341  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.027   2.942   0.866  1.00  0.00           O  
HETATM    4  S   UNL     1       1.417  -4.463   0.884  1.00  0.00           S  
HETATM    5  C   UNL     1      -5.675  -0.091   0.313  1.00  0.00           C  
HETATM    6  N   UNL     1       0.358   0.313  -0.481  1.00  0.00           N  
HETATM    7  O   UNL     1       2.245   1.454  -0.740  1.00  0.00           O  
HETATM    8  S   UNL     1      -2.126  -0.787  -1.569  1.00  0.00           S  
HETATM    9  C   UNL     1      -4.376   0.174  -0.302  1.00  0.00           C  
HETATM   10  N   UNL     1       3.802  -0.621   0.155  1.00  0.00           N  
HETATM   11  O   UNL     1       4.407   0.653   0.024  1.00  0.00           O  
HETATM   12  CA  UNL     1      -3.722   1.267   0.139  1.00  0.00           C  
HETATM   13  N   UNL     1       0.575  -2.271  -0.005  1.00  0.00           N  
HETATM   14  O   UNL     1       7.672   2.283   0.204  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.792   1.007  -1.567  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.190  -3.867   0.060  1.00  0.00           N  
HETATM   17  O   UNL     1       5.606   2.955  -0.199  1.00  0.00           O  
HETATM   18  CA  UNL     1      -0.440   1.419  -1.016  1.00  0.00           C  
HETATM   19  OXT UNL     1      -4.265   1.885   2.435  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.294   2.125   0.010  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.956   3.145   0.741  1.00  0.00           O  
HETATM   22  C   UNL     1       1.701   0.412  -0.432  1.00  0.00           C  
HETATM   23  C   UNL     1       2.515  -0.750  -0.003  1.00  0.00           C  
HETATM   24  C   UNL     1       5.822   0.647   0.223  1.00  0.00           C  
HETATM   25  C   UNL     1       6.358   2.046   0.061  1.00  0.00           C  
HETATM   26  C   UNL     1       1.867  -2.055   0.245  1.00  0.00           C  
HETATM   27  C   UNL     1       2.539  -3.113   0.739  1.00  0.00           C  
HETATM   28  C   UNL     1       0.118  -3.456   0.252  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.930  -0.799  -1.344  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.353   2.159   1.118  1.00  0.00           C  
HETATM   31  H   UNL     1      -6.091  -1.704  -0.957  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.394  -1.290   0.320  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.020   0.522   1.133  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.081  -0.491  -0.161  1.00  0.00           H  
HETATM   35  H   UNL     1       7.968   3.196   0.091  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.083   1.505  -2.492  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.451  -4.775   0.279  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.847  -3.247  -0.294  1.00  0.00           H  
HETATM   39  HA  UNL     1       0.127   2.086  -1.666  1.00  0.00           H  
HETATM   40  HXT UNL     1      -4.697   2.502   3.042  1.00  0.00           H  
HETATM   41  H   UNL     1       6.047   0.286   1.227  1.00  0.00           H  
HETATM   42  H   UNL     1       6.290  -0.009  -0.512  1.00  0.00           H  
HETATM   43  H   UNL     1       3.587  -3.130   1.002  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.406  -0.545  -2.291  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.243  -1.800  -1.050  1.00  0.00           H  
CONECT    1    5    5   31   32                                       
CONECT    2   15   20   12                                            
CONECT    3   20   20                                                 
CONECT    4   28   27                                                 
CONECT    5    1    1    9   33                                       
CONECT    6   22   34   18                                            
CONECT    7   22   22                                                 
CONECT    8   15   29                                                 
CONECT    9    5   29   12   12                                       
CONECT   10   11   23   23                                            
CONECT   11   10   24                                                 
CONECT   12    9    9    2   30                                       
CONECT   13   28   28   26                                            
CONECT   14   35   25                                                 
CONECT   15    2    8   18   36                                       
CONECT   16   37   38   28                                            
CONECT   17   25   25                                                 
CONECT   18   15    6   39   20                                       
CONECT   19   40   30                                                 
CONECT   20    2    3    3   18                                       
CONECT   21   30   30                                                 
CONECT   22    6    7    7   23                                       
CONECT   23   22   10   10   26                                       
CONECT   24   11   25   41   42                                       
CONECT   25   17   17   24   14                                       
CONECT   26   23   13   27   27                                       
CONECT   27    4   26   26   43                                       
CONECT   28    4   13   13   16                                       
CONECT   29    9    8   44   45                                       
CONECT   30   21   21   12   19                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   27                                                      
CONECT   44   29                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
