COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.791   4.200  -2.703  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.578   3.655  -1.589  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.249   2.408  -1.979  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.197   1.969  -0.857  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.434   1.899   0.398  1.00  0.00           N  
HETATM    6  S   UNL     1      -5.485   0.544   1.349  1.00  0.00           S  
HETATM    7  C   UNL     1      -4.184  -0.518   0.813  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.420  -1.449  -0.182  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.401  -2.284  -0.604  1.00  0.00           C  
HETATM   10  F   UNL     1      -3.631  -3.194  -1.576  1.00  0.00           F  
HETATM   11  C   UNL     1      -2.140  -2.185  -0.027  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.106  -3.027  -0.451  1.00  0.00           N  
HETATM   13  C   UNL     1       0.210  -2.614  -0.346  1.00  0.00           C  
HETATM   14  C   UNL     1       1.246  -3.498  -0.641  1.00  0.00           C  
HETATM   15  C   UNL     1       2.561  -3.055  -0.526  1.00  0.00           C  
HETATM   16  N   UNL     1       2.795  -1.785  -0.133  1.00  0.00           N  
HETATM   17  C   UNL     1       1.749  -0.950   0.146  1.00  0.00           C  
HETATM   18  C   UNL     1       1.999   0.377   0.549  1.00  0.00           C  
HETATM   19  C   UNL     1       3.282   0.813   0.667  1.00  0.00           C  
HETATM   20  C   UNL     1       4.345  -0.072   0.384  1.00  0.00           C  
HETATM   21  C   UNL     1       5.751   0.391   0.510  1.00  0.00           C  
HETATM   22  C   UNL     1       6.352   1.355  -0.246  1.00  0.00           C  
HETATM   23  N   UNL     1       7.625   1.474   0.184  1.00  0.00           N  
HETATM   24  N   UNL     1       7.821   0.565   1.231  1.00  0.00           N  
HETATM   25  C   UNL     1       6.703  -0.081   1.434  1.00  0.00           C  
HETATM   26  C   UNL     1       8.630   2.396  -0.352  1.00  0.00           C  
HETATM   27  C   UNL     1       8.134   3.558  -1.215  1.00  0.00           C  
HETATM   28  C   UNL     1       8.646   3.823   0.202  1.00  0.00           C  
HETATM   29  C   UNL     1       4.080  -1.345  -0.019  1.00  0.00           C  
HETATM   30  N   UNL     1       0.491  -1.370   0.032  1.00  0.00           N  
HETATM   31  O   UNL     1       3.491  -3.806  -0.776  1.00  0.00           O  
HETATM   32  C   UNL     1       0.948  -4.910  -1.075  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.908  -1.248   0.971  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.929  -0.414   1.384  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.145   0.962   2.664  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.701  -0.122   1.035  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.625   3.064   0.788  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.739   3.459  -0.399  1.00  0.00           C  
HETATM   39  H   UNL     1      -2.987   3.509  -2.953  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.437   4.335  -3.571  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.367   5.161  -2.412  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.819   2.572  -2.893  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.503   1.631  -2.149  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.004   2.695  -0.755  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.610   0.988  -1.090  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.400  -1.525  -0.629  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.312  -3.901  -0.819  1.00  0.00           H  
HETATM   48  H   UNL     1       1.177   1.044   0.762  1.00  0.00           H  
HETATM   49  H   UNL     1       3.486   1.828   0.975  1.00  0.00           H  
HETATM   50  H   UNL     1       5.893   1.919  -1.043  1.00  0.00           H  
HETATM   51  H   UNL     1       6.540  -0.848   2.176  1.00  0.00           H  
HETATM   52  H   UNL     1       9.588   1.947  -0.614  1.00  0.00           H  
HETATM   53  H   UNL     1       8.765   3.873  -2.046  1.00  0.00           H  
HETATM   54  H   UNL     1       7.060   3.636  -1.385  1.00  0.00           H  
HETATM   55  H   UNL     1       7.910   4.075   0.964  1.00  0.00           H  
HETATM   56  H   UNL     1       9.615   4.312   0.303  1.00  0.00           H  
HETATM   57  H   UNL     1       4.896  -2.019  -0.235  1.00  0.00           H  
HETATM   58  H   UNL     1       0.858  -4.945  -2.161  1.00  0.00           H  
HETATM   59  H   UNL     1       1.757  -5.567  -0.757  1.00  0.00           H  
HETATM   60  H   UNL     1       0.012  -5.240  -0.623  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.930  -1.168   1.421  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.748   0.318   2.157  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.281   3.895   1.048  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.002   2.807   1.644  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.014   2.668  -0.591  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.214   4.386  -0.167  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   38                                            
CONECT    3    2    4   42   43                                       
CONECT    4    3    5   44   45                                       
CONECT    5    4   37    6                                            
CONECT    6   35   35    5   36                                       
CONECT    6   36    7                                                 
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    9   46                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9   33   12                                       
CONECT   12   11   13   47                                            
CONECT   13   30   12   14   14                                       
CONECT   14   13   13   15   32                                       
CONECT   15   16   14   31   31                                       
CONECT   16   17   29   15                                            
CONECT   17   18   30   30   16                                       
CONECT   18   19   19   17   48                                       
CONECT   19   18   18   20   49                                       
CONECT   20   19   21   29   29                                       
CONECT   21   25   20   22   22                                       
CONECT   22   23   21   21   50                                       
CONECT   23   24   26   22                                            
CONECT   24   25   25   23                                            
CONECT   25   24   24   21   51                                       
CONECT   26   23   28   27   52                                       
CONECT   27   26   28   53   54                                       
CONECT   28   26   27   55   56                                       
CONECT   29   20   20   16   57                                       
CONECT   30   17   17   13                                            
CONECT   31   15   15                                                 
CONECT   32   14   58   59   60                                       
CONECT   33   34   34   11   61                                       
CONECT   34    7   33   33   62                                       
CONECT   35    6    6                                                 
CONECT   36    6    6                                                 
CONECT   37   38    5   63   64                                       
CONECT   38    2   37   65   66                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    8                                                      
CONECT   47   12                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
