COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.035  -1.684  -0.299  1.00  0.00           N  
HETATM    2  C   UNL     1       1.960  -3.320  -1.374  1.00  0.00           C  
HETATM    3  C   UNL     1       1.199  -1.260  -0.523  1.00  0.00           C  
HETATM    4  C   UNL     1       1.449   0.100  -0.776  1.00  0.00           C  
HETATM    5  C   UNL     1       0.372   0.997  -0.786  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.895   0.506  -0.546  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.667  -2.647   0.191  1.00  0.00           C  
HETATM    8  C   UNL     1       2.073  -4.584  -0.496  1.00  0.00           C  
HETATM    9  C   UNL     1       2.973  -4.115   0.678  1.00  0.00           C  
HETATM   10  C   UNL     1       2.508  -2.649   0.862  1.00  0.00           C  
HETATM   11  O   UNL     1       3.734  -0.225  -1.114  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.067  -0.854  -0.303  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.005  -2.712   0.371  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.346  -1.350  -0.060  1.00  0.00           N  
HETATM   15  N   UNL     1       2.247  -2.161  -0.509  1.00  0.00           N  
HETATM   16  C   UNL     1       2.743  -5.722  -1.270  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.834  -1.066   0.325  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.525  -1.416   0.219  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.154   0.314   0.134  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.663   0.514   0.290  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.400  -0.329  -0.752  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.092   0.080   1.693  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.005   1.991   0.086  1.00  0.00           C  
HETATM   24  C   UNL     1       2.820   0.574  -1.026  1.00  0.00           C  
HETATM   25  C   UNL     1       5.468   2.019   0.178  1.00  0.00           C  
HETATM   26  C   UNL     1       6.499   1.149   0.290  1.00  0.00           C  
HETATM   27  C   UNL     1       5.198   2.531   1.451  1.00  0.00           C  
HETATM   28  C   UNL     1       4.129   3.539   1.789  1.00  0.00           C  
HETATM   29  C   UNL     1       7.947   0.301   2.154  1.00  0.00           C  
HETATM   30  C   UNL     1       1.228  -2.597   1.698  1.00  0.00           C  
HETATM   31  C   UNL     1       3.611  -1.819   1.521  1.00  0.00           C  
HETATM   32  F   UNL     1      -7.613   2.387  -1.197  1.00  0.00           F  
HETATM   33  F   UNL     1      -9.385   2.174   0.228  1.00  0.00           F  
HETATM   34  F   UNL     1      -7.331   2.762   1.038  1.00  0.00           F  
HETATM   35  N   UNL     1      -3.530  -0.601  -0.033  1.00  0.00           N  
HETATM   36  N   UNL     1       3.064   1.893  -1.156  1.00  0.00           N  
HETATM   37  N   UNL     1       6.867   1.113   1.587  1.00  0.00           N  
HETATM   38  N   UNL     1       6.032   1.985   2.297  1.00  0.00           N  
HETATM   39  O   UNL     1       4.549   3.855  -1.345  1.00  0.00           O  
HETATM   40  O   UNL     1       5.216   1.663  -2.342  1.00  0.00           O  
HETATM   41  S   UNL     1       4.621   2.437  -1.309  1.00  0.00           S  
HETATM   42  H   UNL     1       2.685  -3.366  -2.186  1.00  0.00           H  
HETATM   43  H   UNL     1       0.952  -3.238  -1.781  1.00  0.00           H  
HETATM   44  H   UNL     1       0.530   2.049  -0.976  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.746   1.171  -0.547  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.976  -3.476   0.243  1.00  0.00           H  
HETATM   47  H   UNL     1       1.092  -4.889  -0.132  1.00  0.00           H  
HETATM   48  H   UNL     1       2.780  -4.701   1.576  1.00  0.00           H  
HETATM   49  H   UNL     1       4.027  -4.159   0.403  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.574  -3.603   0.592  1.00  0.00           H  
HETATM   51  H   UNL     1       2.915  -6.564  -0.600  1.00  0.00           H  
HETATM   52  H   UNL     1       2.094  -6.035  -2.088  1.00  0.00           H  
HETATM   53  H   UNL     1       3.695  -5.376  -1.672  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.629   0.915   0.876  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.848   0.623  -0.866  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.156  -1.382  -0.606  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.475  -0.187  -0.641  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.094  -0.021  -1.752  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.567   0.681   2.436  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.167   0.223   1.804  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.848  -0.972   1.839  1.00  0.00           H  
HETATM   62  H   UNL     1       6.946   0.585  -0.515  1.00  0.00           H  
HETATM   63  H   UNL     1       3.230   3.018   2.119  1.00  0.00           H  
HETATM   64  H   UNL     1       4.484   4.191   2.587  1.00  0.00           H  
HETATM   65  H   UNL     1       3.900   4.136   0.906  1.00  0.00           H  
HETATM   66  H   UNL     1       8.879   0.865   2.127  1.00  0.00           H  
HETATM   67  H   UNL     1       7.706   0.046   3.186  1.00  0.00           H  
HETATM   68  H   UNL     1       8.059  -0.613   1.571  1.00  0.00           H  
HETATM   69  H   UNL     1       1.433  -2.976   2.699  1.00  0.00           H  
HETATM   70  H   UNL     1       0.879  -1.566   1.764  1.00  0.00           H  
HETATM   71  H   UNL     1       0.461  -3.211   1.227  1.00  0.00           H  
HETATM   72  H   UNL     1       4.502  -1.833   0.893  1.00  0.00           H  
HETATM   73  H   UNL     1       3.269  -0.791   1.644  1.00  0.00           H  
HETATM   74  H   UNL     1       3.849  -2.242   2.498  1.00  0.00           H  
HETATM   75  H   UNL     1       2.327   2.524  -1.161  1.00  0.00           H  
CONECT    1    3   12   12                                            
CONECT    2    8   15   42   43                                       
CONECT    3   15    4    4    1                                       
CONECT    4   24    3    3    5                                       
CONECT    5    4    6    6   44                                       
CONECT    6    5    5   12   45                                       
CONECT    7   14   13   13   46                                       
CONECT    8   16    9    2   47                                       
CONECT    9    8   10   48   49                                       
CONECT   10    9   31   15   30                                       
CONECT   11   24   24                                                 
CONECT   12    1    1    6   14                                       
CONECT   13    7    7   18   50                                       
CONECT   14   12    7   35                                            
CONECT   15    2   10    3                                            
CONECT   16    8   51   52   53                                       
CONECT   17   18   19                                                 
CONECT   18   35   35   13   17                                       
CONECT   19   17   20   54   55                                       
CONECT   20   23   19   22   21                                       
CONECT   21   20   56   57   58                                       
CONECT   22   20   59   60   61                                       
CONECT   23   33   34   32   20                                       
CONECT   24   11   11   36    4                                       
CONECT   25   26   26   27   41                                       
CONECT   26   37   25   25   62                                       
CONECT   27   38   38   25   28                                       
CONECT   28   27   63   64   65                                       
CONECT   29   37   66   67   68                                       
CONECT   30   10   69   70   71                                       
CONECT   31   10   72   73   74                                       
CONECT   32   23                                                      
CONECT   33   23                                                      
CONECT   34   23                                                      
CONECT   35   14   18   18                                            
CONECT   36   41   24   75                                            
CONECT   37   29   26   38                                            
CONECT   38   37   27   27                                            
CONECT   39   41   41                                                 
CONECT   40   41   41                                                 
CONECT   41   25   39   39   40                                       
CONECT   41   40   36                                                 
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   13                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   36                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
