COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.804   2.367   0.244  1.00  0.00           C  
HETATM    2  C   UNL     1       0.326   3.455  -1.787  1.00  0.00           C  
HETATM    3  C   UNL     1       2.855  -0.100  -1.003  1.00  0.00           C  
HETATM    4  C   UNL     1       3.953   1.599   0.279  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.888   2.373   0.236  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.552  -0.130   0.152  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.583   3.144   1.534  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.107  -2.880  -0.067  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.394  -3.859  -0.736  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.083  -3.631  -1.112  1.00  0.00           C  
HETATM   11  C   UNL     1       4.395  -2.510   1.156  1.00  0.00           C  
HETATM   12  C   UNL     1       1.679   1.899  -0.409  1.00  0.00           C  
HETATM   13  C   UNL     1       0.425   2.734  -0.441  1.00  0.00           C  
HETATM   14  C   UNL     1       1.705   0.666  -1.033  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.743   1.867  -0.265  1.00  0.00           N  
HETATM   16  C   UNL     1       3.977   0.363  -0.340  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.927   3.526   0.620  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.091   1.529   0.317  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.287   1.862   0.889  1.00  0.00           N  
HETATM   20  N   UNL     1      -5.111   0.883   0.780  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.234   0.242  -0.166  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.195  -1.432  -0.158  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.514  -1.668   0.223  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.478  -2.425  -0.821  1.00  0.00           C  
HETATM   25  S   UNL     1       5.441  -0.616  -0.296  1.00  0.00           S  
HETATM   26  O   UNL     1       5.370  -1.494  -1.411  1.00  0.00           O  
HETATM   27  O   UNL     1       6.519   0.285  -0.084  1.00  0.00           O  
HETATM   28  N   UNL     1       5.354  -1.568   1.056  1.00  0.00           N  
HETATM   29  O   UNL     1       3.595  -2.659   0.256  1.00  0.00           O  
HETATM   30  C   UNL     1       4.315  -3.376   2.386  1.00  0.00           C  
HETATM   31  H   UNL     1       2.784   3.331   0.731  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.581   4.059  -1.810  1.00  0.00           H  
HETATM   33  H   UNL     1       1.195   4.100  -1.918  1.00  0.00           H  
HETATM   34  H   UNL     1       0.294   2.720  -2.592  1.00  0.00           H  
HETATM   35  H   UNL     1       2.875  -1.063  -1.491  1.00  0.00           H  
HETATM   36  H   UNL     1       4.832   1.965   0.789  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.915   3.861   0.783  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.370   3.004   2.275  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.685   3.520   2.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.131  -3.063   0.224  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.863  -4.805  -0.965  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.531  -4.399  -1.633  1.00  0.00           H  
HETATM   43  H   UNL     1       0.456   3.469   0.363  1.00  0.00           H  
HETATM   44  H   UNL     1       0.829   0.305  -1.551  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.693   0.930  -0.509  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.492  -0.350  -0.680  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.075  -0.902   0.738  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.456  -2.247  -1.118  1.00  0.00           H  
HETATM   49  H   UNL     1       5.993  -1.449   1.775  1.00  0.00           H  
HETATM   50  H   UNL     1       3.483  -4.073   2.287  1.00  0.00           H  
HETATM   51  H   UNL     1       5.245  -3.935   2.498  1.00  0.00           H  
HETATM   52  H   UNL     1       4.161  -2.749   3.264  1.00  0.00           H  
CONECT    1    4    4   12   31                                       
CONECT    2   13   32   33   34                                       
CONECT    3   16   16   14   35                                       
CONECT    4    1    1   16   36                                       
CONECT    5   17   17   15   18                                       
CONECT    6   20   20   21   22                                       
CONECT    7   19   37   38   39                                       
CONECT    8   23    9    9   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10   24   24    9   42                                       
CONECT   11   30   28   29   29                                       
CONECT   12    1   13   14   14                                       
CONECT   13   12   15    2   43                                       
CONECT   14   12   12    3   44                                       
CONECT   15   13    5   45                                            
CONECT   16    4   25    3    3                                       
CONECT   17    5    5                                                 
CONECT   18    5   19   21   21                                       
CONECT   19    7   18   20                                            
CONECT   20   19    6    6                                            
CONECT   21   18   18    6   46                                       
CONECT   22    6   23   23   24                                       
CONECT   23   22   22    8   47                                       
CONECT   24   22   10   10   48                                       
CONECT   25   26   26   28   16                                       
CONECT   25   27   27                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   11   25   49                                            
CONECT   29   11   11                                                 
CONECT   30   11   50   51   52                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
