COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.292   3.296   0.572  1.00  0.00           C  
HETATM    2  C   UNL     1       3.299   2.142   0.415  1.00  0.00           C  
HETATM    3  C   UNL     1       1.872   2.673   0.564  1.00  0.00           C  
HETATM    4  N   UNL     1       0.919   1.594   0.295  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.451   1.839   0.371  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.915   3.099   0.698  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.278   3.349   0.774  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.191   2.348   0.525  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.750   1.070   0.193  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.391  -0.108  -0.103  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.417  -1.080  -0.361  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.231  -0.558  -0.238  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.370   0.807   0.108  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.778  -0.303  -0.141  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.333  -1.172  -1.071  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.701  -1.363  -1.106  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.518  -0.687  -0.215  1.00  0.00           C  
HETATM   18  F   UNL     1      -8.856  -0.875  -0.252  1.00  0.00           F  
HETATM   19  C   UNL     1      -6.966   0.180   0.713  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.599   0.369   0.756  1.00  0.00           C  
HETATM   21  N   UNL     1       3.460   1.537  -0.910  1.00  0.00           N  
HETATM   22  S   UNL     1       4.428   0.208  -1.102  1.00  0.00           S  
HETATM   23  O   UNL     1       4.347  -0.153  -2.474  1.00  0.00           O  
HETATM   24  O   UNL     1       5.654   0.507  -0.448  1.00  0.00           O  
HETATM   25  C   UNL     1       3.689  -1.111  -0.196  1.00  0.00           C  
HETATM   26  C   UNL     1       4.121  -1.396   1.086  1.00  0.00           C  
HETATM   27  C   UNL     1       5.223  -0.578   1.709  1.00  0.00           C  
HETATM   28  C   UNL     1       3.541  -2.430   1.796  1.00  0.00           C  
HETATM   29  C   UNL     1       2.530  -3.180   1.225  1.00  0.00           C  
HETATM   30  C   UNL     1       1.898  -4.307   1.999  1.00  0.00           C  
HETATM   31  C   UNL     1       2.098  -2.894  -0.057  1.00  0.00           C  
HETATM   32  C   UNL     1       2.674  -1.857  -0.766  1.00  0.00           C  
HETATM   33  C   UNL     1       2.200  -1.542  -2.161  1.00  0.00           C  
HETATM   34  H   UNL     1       4.102   4.046  -0.196  1.00  0.00           H  
HETATM   35  H   UNL     1       4.173   3.746   1.558  1.00  0.00           H  
HETATM   36  H   UNL     1       5.309   2.917   0.466  1.00  0.00           H  
HETATM   37  H   UNL     1       3.490   1.392   1.182  1.00  0.00           H  
HETATM   38  H   UNL     1       1.726   3.043   1.579  1.00  0.00           H  
HETATM   39  H   UNL     1       1.711   3.485  -0.145  1.00  0.00           H  
HETATM   40  H   UNL     1       2.998   1.916  -1.675  1.00  0.00           H  
HETATM   41  H   UNL     1       1.241   0.708   0.065  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.212   3.895   0.896  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.626   4.338   1.032  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.249   2.555   0.588  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.296  -1.079  -0.380  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.696  -1.699  -1.766  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.169   1.042   1.483  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.133  -2.039  -1.829  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.606   0.706   1.406  1.00  0.00           H  
HETATM   50  H   UNL     1       4.843   0.412   1.961  1.00  0.00           H  
HETATM   51  H   UNL     1       5.576  -1.074   2.614  1.00  0.00           H  
HETATM   52  H   UNL     1       6.048  -0.482   1.003  1.00  0.00           H  
HETATM   53  H   UNL     1       3.878  -2.653   2.798  1.00  0.00           H  
HETATM   54  H   UNL     1       1.048  -3.928   2.566  1.00  0.00           H  
HETATM   55  H   UNL     1       1.558  -5.078   1.307  1.00  0.00           H  
HETATM   56  H   UNL     1       2.631  -4.733   2.685  1.00  0.00           H  
HETATM   57  H   UNL     1       1.308  -3.480  -0.504  1.00  0.00           H  
HETATM   58  H   UNL     1       2.846  -2.039  -2.885  1.00  0.00           H  
HETATM   59  H   UNL     1       1.176  -1.895  -2.285  1.00  0.00           H  
HETATM   60  H   UNL     1       2.235  -0.465  -2.322  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3   21   37                                       
CONECT    3    2    4   38   39                                       
CONECT    4    3    5   41                                            
CONECT    5    4    6   13   13                                       
CONECT    6    5    7    7   42                                       
CONECT    7    6    6    8   43                                       
CONECT    8    7    9    9   44                                       
CONECT    9    8    8   10   13                                       
CONECT   10    9   11   14                                            
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   45                                       
CONECT   13    5    5    9   12                                       
CONECT   14   10   15   20   20                                       
CONECT   15   14   16   16   46                                       
CONECT   16   15   15   17   48                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17                                                      
CONECT   19   17   17   20   49                                       
CONECT   20   14   14   19   47                                       
CONECT   21    2   22   40                                            
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   32   32                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   50   51   52                                       
CONECT   28   26   26   29   53                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   54   55   56                                       
CONECT   31   29   29   32   57                                       
CONECT   32   25   25   31   33                                       
CONECT   33   32   58   59   60                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40   21                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   20                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
