COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.301   1.568   0.327  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.067   1.548   0.149  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.691  -1.075  -0.127  1.00  0.00           C  
HETATM    4  C   UNL     1       0.880  -1.968   0.570  1.00  0.00           C  
HETATM    5  C   UNL     1       0.679  -0.593   0.427  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580  -0.064  -1.150  1.00  0.00           C  
HETATM    7  C   UNL     1       2.140  -2.453   0.778  1.00  0.00           C  
HETATM    8  C   UNL     1       3.225  -1.589   0.841  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.882  -0.511  -1.278  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.912  -0.018   1.507  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.915   2.725  -0.060  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.848  -1.293   0.992  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.551  -0.845   1.134  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.514  -1.124  -0.208  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.905  -0.232   0.059  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.509   0.238   0.202  1.00  0.00           C  
HETATM   17  C   UNL     1       1.774   0.288   0.496  1.00  0.00           C  
HETATM   18  C   UNL     1       3.051  -0.230   0.703  1.00  0.00           C  
HETATM   19  C   UNL     1       4.384   1.228   2.201  1.00  0.00           C  
HETATM   20  C   UNL     1       4.239   0.695   0.774  1.00  0.00           C  
HETATM   21  C   UNL     1       6.425   0.792  -0.204  1.00  0.00           C  
HETATM   22  C   UNL     1       7.621  -0.059  -0.544  1.00  0.00           C  
HETATM   23  C   UNL     1       7.761  -1.388  -0.327  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.934  -1.610  -0.354  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.538  -0.350  -2.448  1.00  0.00           F  
HETATM   26  N   UNL     1       8.973  -1.722  -0.784  1.00  0.00           N  
HETATM   27  N   UNL     1       9.545  -0.669  -1.253  1.00  0.00           N  
HETATM   28  N   UNL     1       8.768   0.349  -1.134  1.00  0.00           N  
HETATM   29  O   UNL     1       5.422  -0.020   0.410  1.00  0.00           O  
HETATM   30  OXT UNL     1      -0.364   3.956  -0.092  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.115   2.591  -0.207  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.948   0.781  -0.811  1.00  0.00           O  
HETATM   33  S   UNL     1      -7.078  -0.284   0.121  1.00  0.00           S  
HETATM   34  H   UNL     1       1.850   2.368   0.327  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.484  -0.372   0.128  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.793  -1.375  -1.170  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.767  -1.955   0.513  1.00  0.00           H  
HETATM   38  H   UNL     1       0.040  -2.646   0.522  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.086   0.410  -1.985  1.00  0.00           H  
HETATM   40  H   UNL     1       2.293  -3.515   0.894  1.00  0.00           H  
HETATM   41  H   UNL     1       4.216  -1.987   1.006  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.348  -1.768   1.823  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.035  -0.970   2.075  1.00  0.00           H  
HETATM   44  H   UNL     1       5.244   1.897   2.253  1.00  0.00           H  
HETATM   45  H   UNL     1       3.482   1.773   2.479  1.00  0.00           H  
HETATM   46  H   UNL     1       4.531   0.394   2.888  1.00  0.00           H  
HETATM   47  H   UNL     1       4.092   1.529   0.088  1.00  0.00           H  
HETATM   48  H   UNL     1       6.726   1.581   0.486  1.00  0.00           H  
HETATM   49  H   UNL     1       6.025   1.238  -1.114  1.00  0.00           H  
HETATM   50  H   UNL     1       7.037  -2.049   0.126  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.116  -1.893  -1.390  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.090  -2.473   0.293  1.00  0.00           H  
HETATM   53  H   UNL     1       8.970   1.255  -1.417  1.00  0.00           H  
HETATM   54  HXT UNL     1      -1.002   4.668  -0.235  1.00  0.00           H  
CONECT    1    2   17   34                                            
CONECT    2   11   16   16    1                                       
CONECT    3   33   35   36   37                                       
CONECT    4    5    5    7   38                                       
CONECT    5   16    4    4   17                                       
CONECT    6    9    9   15   39                                       
CONECT    7    4    8    8   40                                       
CONECT    8    7    7   18   41                                       
CONECT    9   14   25    6    6                                       
CONECT   10   33   33                                                 
CONECT   11   31   31    2   30                                       
CONECT   12   14   14   13   42                                       
CONECT   13   12   15   15   43                                       
CONECT   14   24   12   12    9                                       
CONECT   15   13   13    6   16                                       
CONECT   16   15    2    2    5                                       
CONECT   17    5    1   18   18                                       
CONECT   18   17   17    8   20                                       
CONECT   19   20   44   45   46                                       
CONECT   20   18   29   19   47                                       
CONECT   21   22   29   48   49                                       
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   26   50                                       
CONECT   24   33   14   51   52                                       
CONECT   25    9                                                      
CONECT   26   23   27   27                                            
CONECT   27   26   26   28                                            
CONECT   28   22   27   53                                            
CONECT   29   21   20                                                 
CONECT   30   11   54                                                 
CONECT   31   11   11                                                 
CONECT   32   33   33                                                 
CONECT   33   32   32   10   10                                       
CONECT   33    3   24                                                 
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
