COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.802  -0.745   0.213  1.00  0.00           C  
HETATM    2  C   UNL     1       5.458  -0.276  -0.422  1.00  0.00           C  
HETATM    3  C   UNL     1       1.384  -0.995   0.553  1.00  0.00           C  
HETATM    4  C   UNL     1       3.804  -1.012   1.146  1.00  0.00           C  
HETATM    5  C   UNL     1       5.125  -0.777   0.824  1.00  0.00           C  
HETATM    6  C   UNL     1       9.087   1.758  -0.805  1.00  0.00           C  
HETATM    7  C   UNL     1       6.902  -0.022  -0.767  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.991  -3.794   0.539  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.149  -2.558   0.861  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.810  -2.671   0.179  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.754  -1.853   0.574  1.00  0.00           C  
HETATM   12  CA  UNL     1       0.638  -0.349   1.523  1.00  0.00           C  
HETATM   13  C   UNL     1       1.126   0.718   2.401  1.00  0.00           C  
HETATM   14  C   UNL     1       4.469  -0.014  -1.356  1.00  0.00           C  
HETATM   15  C   UNL     1       3.142  -0.246  -1.045  1.00  0.00           C  
HETATM   16  C   UNL     1       0.489  -1.974  -0.075  1.00  0.00           C  
HETATM   17  C   UNL     1       0.651  -2.907  -1.102  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.398  -3.699  -1.472  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.627  -3.583  -0.836  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.306  -0.246   1.226  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.953   0.732   0.226  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.438   0.919   0.543  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.948   3.247   0.069  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.389   3.406  -0.447  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.505   1.878  -0.301  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.150  -1.093  -0.893  1.00  0.00           C  
HETATM   27  F   UNL     1       4.801   0.475  -2.571  1.00  0.00           F  
HETATM   28  N   UNL     1      -0.640  -0.870   1.529  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.840  -1.358   0.383  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.031   1.854  -0.422  1.00  0.00           N  
HETATM   31  N   UNL     1      -8.472   3.875  -1.837  1.00  0.00           N  
HETATM   32  O   UNL     1       2.276   1.103   2.309  1.00  0.00           O  
HETATM   33  OXT UNL     1       0.299   1.273   3.312  1.00  0.00           O  
HETATM   34  O   UNL     1       7.268   1.800   1.104  1.00  0.00           O  
HETATM   35  O   UNL     1       6.600   2.573  -1.125  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.785   0.078  -1.065  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.882  -1.842  -1.812  1.00  0.00           O  
HETATM   38  S   UNL     1       7.343   1.677  -0.310  1.00  0.00           S  
HETATM   39  H   UNL     1       3.546  -1.402   2.120  1.00  0.00           H  
HETATM   40  H   UNL     1       5.900  -0.984   1.546  1.00  0.00           H  
HETATM   41  H   UNL     1       9.655   1.006  -0.257  1.00  0.00           H  
HETATM   42  H   UNL     1       9.170   1.568  -1.875  1.00  0.00           H  
HETATM   43  H   UNL     1       9.483   2.748  -0.580  1.00  0.00           H  
HETATM   44  H   UNL     1       7.535  -0.721  -0.220  1.00  0.00           H  
HETATM   45  H   UNL     1       7.050  -0.160  -1.838  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.137  -3.863  -0.539  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.477  -4.687   0.894  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.960  -3.712   1.032  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.003  -2.488   1.939  1.00  0.00           H  
HETATM   50  H   UNL     1       2.371  -0.041  -1.773  1.00  0.00           H  
HETATM   51  H   UNL     1       1.604  -3.002  -1.602  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.272  -4.420  -2.266  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.448  -4.216  -1.140  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.467   0.227   1.735  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.043  -0.597   1.949  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.436   1.691   0.242  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.948  -0.043   0.478  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.547   1.320   1.551  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.220   3.858  -0.466  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.857   3.328   1.152  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.038   3.964   0.229  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.871   1.557   0.675  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.024   1.396  -1.129  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.354  -0.584   2.120  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.433   3.964  -2.132  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.975   4.745  -1.955  1.00  0.00           H  
HETATM   67  HXT UNL     1       0.710   1.968   3.844  1.00  0.00           H  
CONECT    1   15   15    4    3                                       
CONECT    2    7   14   14    5                                       
CONECT    3    1   12   12   16                                       
CONECT    4    5    5    1   39                                       
CONECT    5    2    4    4   40                                       
CONECT    6   38   41   42   43                                       
CONECT    7   38    2   44   45                                       
CONECT    8    9   46   47   48                                       
CONECT    9   10   29    8   49                                       
CONECT   10   11   11   19    9                                       
CONECT   11   16   28   10   10                                       
CONECT   12   13    3    3   28                                       
CONECT   13   32   32   12   33                                       
CONECT   14   27    2    2   15                                       
CONECT   15   14    1    1   50                                       
CONECT   16    3   17   17   11                                       
CONECT   17   16   16   18   51                                       
CONECT   18   17   19   19   52                                       
CONECT   19   18   18   10   53                                       
CONECT   20   29   21   54   55                                       
CONECT   21   36   22   20   56                                       
CONECT   22   21   30   57   58                                       
CONECT   23   30   24   59   60                                       
CONECT   24   25   23   31   61                                       
CONECT   25   30   24   62   63                                       
CONECT   26   37   37   36   29                                       
CONECT   27   14                                                      
CONECT   28   12   11   64                                            
CONECT   29   26    9   20                                            
CONECT   30   22   25   23                                            
CONECT   31   24   65   66                                            
CONECT   32   13   13                                                 
CONECT   33   13   67                                                 
CONECT   34   38   38                                                 
CONECT   35   38   38                                                 
CONECT   36   26   21                                                 
CONECT   37   26   26                                                 
CONECT   38   35   35   34   34                                       
CONECT   38    6    7                                                 
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
