COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.425  -1.159   0.218  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.751  -2.328  -0.131  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.381  -2.271  -0.311  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.359  -0.030   0.839  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.131   1.343   2.645  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.796   0.941  -0.085  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.342   2.235  -2.046  1.00  0.00           C  
HETATM    8  C   UNL     1       7.521  -0.194  -1.081  1.00  0.00           C  
HETATM    9  C   UNL     1       7.620  -0.991   1.281  1.00  0.00           C  
HETATM   10  C   UNL     1      10.977  -1.450  -0.333  1.00  0.00           C  
HETATM   11  C   UNL     1       9.144  -1.031   1.155  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.730   1.169   0.347  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.422  -0.021   0.185  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.734  -0.035   0.366  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.754  -1.116  -0.148  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.498  -3.625  -0.308  1.00  0.00           C  
HETATM   17  F   UNL     1      -4.451  -3.479  -1.322  1.00  0.00           F  
HETATM   18  F   UNL     1      -2.598  -4.638  -0.656  1.00  0.00           F  
HETATM   19  F   UNL     1      -4.139  -3.961   0.889  1.00  0.00           F  
HETATM   20  O   UNL     1      -4.768  -1.168   0.399  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.782   2.986  -0.781  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.529   0.184   2.197  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.568   2.298   1.743  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.403   2.107   0.386  1.00  0.00           C  
HETATM   25  N   UNL     1       9.516  -1.336  -0.232  1.00  0.00           N1+
HETATM   26  C   UNL     1       9.049  -0.264  -1.120  1.00  0.00           C  
HETATM   27  C   UNL     1       7.065   0.093   0.353  1.00  0.00           C  
HETATM   28  N   UNL     1       5.601   0.086   0.412  1.00  0.00           N  
HETATM   29  C   UNL     1       2.755   0.032   0.539  1.00  0.00           C  
HETATM   30  C   UNL     1       3.435   1.197   0.174  1.00  0.00           C  
HETATM   31  C   UNL     1       2.716   2.356  -0.133  1.00  0.00           C  
HETATM   32  C   UNL     1       1.337   2.345  -0.076  1.00  0.00           C  
HETATM   33  C   UNL     1       0.663   1.179   0.289  1.00  0.00           C  
HETATM   34  C   UNL     1       1.379   0.025   0.590  1.00  0.00           C  
HETATM   35  O   UNL     1       0.635   3.471  -0.374  1.00  0.00           O  
HETATM   36  C   UNL     1       1.390   4.629  -0.739  1.00  0.00           C  
HETATM   37  C   UNL     1       4.909   1.204   0.115  1.00  0.00           C  
HETATM   38  O   UNL     1       5.500   2.218  -0.203  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.725   0.949  -1.552  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.252   0.074  -2.246  1.00  0.00           O  
HETATM   41  H   UNL     1      -0.828  -3.158  -0.582  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.262   1.505   3.705  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.205   2.022  -2.678  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.606   2.820  -2.596  1.00  0.00           H  
HETATM   45  H   UNL     1       7.176   0.604  -1.739  1.00  0.00           H  
HETATM   46  H   UNL     1       7.104  -1.145  -1.412  1.00  0.00           H  
HETATM   47  H   UNL     1       7.206  -1.959   0.999  1.00  0.00           H  
HETATM   48  H   UNL     1       7.346  -0.763   2.311  1.00  0.00           H  
HETATM   49  H   UNL     1      11.324  -2.250   0.321  1.00  0.00           H  
HETATM   50  H   UNL     1      11.254  -1.676  -1.362  1.00  0.00           H  
HETATM   51  H   UNL     1      11.437  -0.509  -0.031  1.00  0.00           H  
HETATM   52  H   UNL     1       9.558  -0.063   1.437  1.00  0.00           H  
HETATM   53  H   UNL     1       9.543  -1.802   1.814  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.215   1.995   0.501  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.263   3.943  -0.715  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.860   3.145  -0.796  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.191  -0.557   2.906  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.037   3.201   2.104  1.00  0.00           H  
HETATM   59  H   UNL     1       9.091  -2.208  -0.510  1.00  0.00           H  
HETATM   60  H   UNL     1       9.377  -0.468  -2.139  1.00  0.00           H  
HETATM   61  H   UNL     1       9.464   0.688  -0.789  1.00  0.00           H  
HETATM   62  H   UNL     1       7.439   1.068   0.666  1.00  0.00           H  
HETATM   63  H   UNL     1       5.130  -0.723   0.665  1.00  0.00           H  
HETATM   64  H   UNL     1       3.308  -0.864   0.777  1.00  0.00           H  
HETATM   65  H   UNL     1       3.239   3.258  -0.415  1.00  0.00           H  
HETATM   66  H   UNL     1       0.854  -0.876   0.871  1.00  0.00           H  
HETATM   67  H   UNL     1       0.710   5.454  -0.951  1.00  0.00           H  
HETATM   68  H   UNL     1       2.051   4.905   0.082  1.00  0.00           H  
HETATM   69  H   UNL     1       1.984   4.410  -1.626  1.00  0.00           H  
CONECT    1   20    2    2   14                                       
CONECT    2   16    1    1    3                                       
CONECT    3    2   15   15   41                                       
CONECT    4    6   20   22   22                                       
CONECT    5   23   23   22   42                                       
CONECT    6   39   24   24    4                                       
CONECT    7   21   39   43   44                                       
CONECT    8   27   26   45   46                                       
CONECT    9   11   27   47   48                                       
CONECT   10   25   49   50   51                                       
CONECT   11    9   25   52   53                                       
CONECT   12   13   33   54                                            
CONECT   13   14   14   15   12                                       
CONECT   14    1   13   13                                            
CONECT   15    3    3   13                                            
CONECT   16   19   18   17    2                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    4    1                                                 
CONECT   21    7   24   55   56                                       
CONECT   22    4    4    5   57                                       
CONECT   23   24    5    5   58                                       
CONECT   24   21    6    6   23                                       
CONECT   25   11   10   26   59                                       
CONECT   26   25    8   60   61                                       
CONECT   27    9   28    8   62                                       
CONECT   28   27   37   63                                            
CONECT   29   34   34   30   64                                       
CONECT   30   29   37   31   31                                       
CONECT   31   30   30   32   65                                       
CONECT   32   33   33   31   35                                       
CONECT   33   34   12   32   32                                       
CONECT   34   29   29   33   66                                       
CONECT   35   32   36                                                 
CONECT   36   35   67   68   69                                       
CONECT   37   28   30   38   38                                       
CONECT   38   37   37                                                 
CONECT   39    7   40   40    6                                       
CONECT   40   39   39                                                 
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
