COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.896  -1.750  -1.197  1.00  0.00           O  
HETATM    2  N   UNL     1      -7.005   2.818   0.282  1.00  0.00           N  
HETATM    3  O   UNL     1       3.386  -1.164   0.307  1.00  0.00           O  
HETATM    4  P   UNL     1       2.330  -2.130  -0.430  1.00  0.00           P  
HETATM    5  C   UNL     1      -6.963   1.726   1.023  1.00  0.00           C  
HETATM    6  N   UNL     1       7.001  -0.658   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -5.933   0.907   1.016  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.877   1.152   0.247  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.873   2.302  -0.561  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.996   3.146  -0.519  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.049   4.292  -1.292  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.697   2.313  -1.233  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.995   1.270  -0.896  1.00  0.00           C  
HETATM   14  C   UNL     1       4.621  -1.100  -0.216  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.680   0.522   0.014  1.00  0.00           N  
HETATM   16  C   UNL     1       5.664  -0.217   0.419  1.00  0.00           C  
HETATM   17  C   UNL     1       5.443   1.231  -0.022  1.00  0.00           C  
HETATM   18  S   UNL     1       6.161   3.862   0.196  1.00  0.00           S  
HETATM   19  C   UNL     1       7.391   4.776   1.166  1.00  0.00           C  
HETATM   20  C   UNL     1       6.422   2.145   0.719  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.223  -0.725   0.632  1.00  0.00           C  
HETATM   22  O   UNL     1       2.237  -1.760  -1.860  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.766  -1.950  -0.146  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.067  -2.313   0.319  1.00  0.00           O  
HETATM   25  O   UNL     1       2.820  -3.658  -0.302  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.728  -3.044   0.207  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.209  -3.865   1.273  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.483  -2.253   0.654  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.790  -0.856   0.510  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.290  -2.618  -0.232  1.00  0.00           C  
HETATM   31  O   UNL     1       0.884  -1.970   0.261  1.00  0.00           O  
HETATM   32  H   UNL     1      -7.805   1.497   1.660  1.00  0.00           H  
HETATM   33  H   UNL     1       7.101  -0.607  -1.003  1.00  0.00           H  
HETATM   34  H   UNL     1       7.720  -0.123   0.463  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.306   4.521  -1.872  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.830   4.867  -1.254  1.00  0.00           H  
HETATM   37  H   UNL     1       5.583  -0.283   1.504  1.00  0.00           H  
HETATM   38  H   UNL     1       5.611   1.314  -1.096  1.00  0.00           H  
HETATM   39  H   UNL     1       4.421   1.530   0.210  1.00  0.00           H  
HETATM   40  H   UNL     1       7.199   4.628   2.229  1.00  0.00           H  
HETATM   41  H   UNL     1       8.389   4.411   0.923  1.00  0.00           H  
HETATM   42  H   UNL     1       7.325   5.838   0.930  1.00  0.00           H  
HETATM   43  H   UNL     1       6.254   2.062   1.793  1.00  0.00           H  
HETATM   44  H   UNL     1       7.444   1.846   0.487  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.527  -0.768   1.678  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.778  -1.756  -1.218  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.450  -3.075  -0.137  1.00  0.00           H  
HETATM   48  H   UNL     1       2.903  -3.969   0.610  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.502  -3.652  -0.669  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.025  -4.340   1.066  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.256  -2.478   1.696  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.143  -3.697  -0.217  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.483  -2.291  -1.254  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.015   1.032  -1.283  1.00  0.00           H  
CONECT    1   14   14                                                 
CONECT    2    5   10   10                                            
CONECT    3    4   14                                                 
CONECT    4    3   31   22   22                                       
CONECT    4   25                                                      
CONECT    5    2   32    7    7                                       
CONECT    6   16   33   34                                            
CONECT    7    5    5    8                                            
CONECT    8    7    9    9   15                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9    2    2   11                                       
CONECT   11   10   35   36                                            
CONECT   12    9   13   13                                            
CONECT   13   12   12   15   54                                       
CONECT   14    3    1    1   16                                       
CONECT   15   13    8   21                                            
CONECT   16    6   14   17   37                                       
CONECT   17   16   38   39   20                                       
CONECT   18   19   20                                                 
CONECT   19   18   40   41   42                                       
CONECT   20   17   18   43   44                                       
CONECT   21   15   23   45   29                                       
CONECT   22    4    4                                                 
CONECT   23   21   24   46   26                                       
CONECT   24   23   47                                                 
CONECT   25    4   48                                                 
CONECT   26   23   27   49   28                                       
CONECT   27   26   50                                                 
CONECT   28   26   29   51   30                                       
CONECT   29   28   21                                                 
CONECT   30   28   52   53   31                                       
CONECT   31    4   30                                                 
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   13                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
