COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.165  -3.440   0.370  1.00  0.00           C  
HETATM    2  C   UNL     1       0.389  -2.223  -0.058  1.00  0.00           C  
HETATM    3  C   UNL     1       1.790  -2.103  -0.113  1.00  0.00           C  
HETATM    4  N   UNL     1       2.535  -3.150   0.243  1.00  0.00           N  
HETATM    5  N   UNL     1       0.662  -4.424   0.710  1.00  0.00           N  
HETATM    6  C   UNL     1       5.628   1.778   1.456  1.00  0.00           C  
HETATM    7  C   UNL     1       6.965   2.452   1.143  1.00  0.00           C  
HETATM    8  C   UNL     1       8.026   1.378   0.888  1.00  0.00           C  
HETATM    9  N   UNL     1       9.298   2.018   0.530  1.00  0.00           N  
HETATM   10  C   UNL     1      10.369   1.022   0.394  1.00  0.00           C  
HETATM   11  C   UNL     1       9.160   2.814  -0.697  1.00  0.00           C  
HETATM   12  C   UNL     1       7.564   0.479  -0.262  1.00  0.00           C  
HETATM   13  C   UNL     1       6.209  -0.138   0.091  1.00  0.00           C  
HETATM   14  N   UNL     1       5.229   0.930   0.325  1.00  0.00           N  
HETATM   15  C   UNL     1       3.884   0.376   0.531  1.00  0.00           C  
HETATM   16  C   UNL     1       3.404  -0.290  -0.760  1.00  0.00           C  
HETATM   17  N   UNL     1       2.063  -0.843  -0.554  1.00  0.00           N  
HETATM   18  N   UNL     1       0.864  -0.159  -0.780  1.00  0.00           N  
HETATM   19  C   UNL     1       1.972  -4.271   0.637  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.534  -3.609   0.442  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.154  -0.938  -0.500  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.589  -0.582  -0.610  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.068   0.035  -1.765  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.407   0.365  -1.865  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.877   0.967  -2.990  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.932   1.228  -4.029  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.462  -0.870   0.438  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.797  -0.539   0.335  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.275   0.081  -0.811  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.631   0.416  -0.912  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.318   0.782   0.189  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.790   0.726   1.281  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.590   1.210   0.076  1.00  0.00           O  
HETATM   34  C   UNL     1      -8.269   1.588   1.303  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.508   2.732   1.975  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.693   2.044   0.979  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.321   0.386   2.248  1.00  0.00           C  
HETATM   38  H   UNL     1       5.731   1.165   2.351  1.00  0.00           H  
HETATM   39  H   UNL     1       4.867   2.541   1.623  1.00  0.00           H  
HETATM   40  H   UNL     1       6.860   3.077   0.256  1.00  0.00           H  
HETATM   41  H   UNL     1       7.269   3.069   1.989  1.00  0.00           H  
HETATM   42  H   UNL     1       8.160   0.777   1.788  1.00  0.00           H  
HETATM   43  H   UNL     1      10.105   0.309  -0.387  1.00  0.00           H  
HETATM   44  H   UNL     1      11.300   1.523   0.128  1.00  0.00           H  
HETATM   45  H   UNL     1      10.497   0.495   1.339  1.00  0.00           H  
HETATM   46  H   UNL     1       8.409   3.589  -0.545  1.00  0.00           H  
HETATM   47  H   UNL     1      10.116   3.277  -0.940  1.00  0.00           H  
HETATM   48  H   UNL     1       8.852   2.165  -1.518  1.00  0.00           H  
HETATM   49  H   UNL     1       7.468   1.072  -1.171  1.00  0.00           H  
HETATM   50  H   UNL     1       8.295  -0.315  -0.420  1.00  0.00           H  
HETATM   51  H   UNL     1       5.870  -0.768  -0.732  1.00  0.00           H  
HETATM   52  H   UNL     1       6.309  -0.742   0.993  1.00  0.00           H  
HETATM   53  H   UNL     1       3.915  -0.363   1.332  1.00  0.00           H  
HETATM   54  H   UNL     1       3.198   1.178   0.803  1.00  0.00           H  
HETATM   55  H   UNL     1       3.373   0.449  -1.560  1.00  0.00           H  
HETATM   56  H   UNL     1       4.090  -1.092  -1.032  1.00  0.00           H  
HETATM   57  H   UNL     1       2.607  -5.098   0.918  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.126  -2.875   0.214  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.904  -4.462   0.720  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.395   0.255  -2.580  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.149   1.885  -3.651  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.490   0.289  -4.362  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.437   1.709  -4.867  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.092  -1.352   1.331  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.472  -0.763   1.148  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.076   0.385  -1.773  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.471   3.589   1.302  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.017   3.016   2.896  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.493   2.407   2.207  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.235   1.228   0.500  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.203   2.327   1.899  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.656   2.900   0.305  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.307   0.061   2.480  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.831   0.669   3.169  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.863  -0.430   1.769  1.00  0.00           H  
CONECT    1    2    2    5   20                                       
CONECT    2    3   21    1    1                                       
CONECT    3   17    4    4    2                                       
CONECT    4    3    3   19                                            
CONECT    5   19   19    1                                            
CONECT    6    7   14   38   39                                       
CONECT    7    8    6   40   41                                       
CONECT    8    9    7   12   42                                       
CONECT    9   10   11    8                                            
CONECT   10    9   43   44   45                                       
CONECT   11    9   46   47   48                                       
CONECT   12    8   13   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14    6   13   15                                            
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18    3                                            
CONECT   18   17   21   21                                            
CONECT   19    4    5    5   57                                       
CONECT   20    1   58   59                                            
CONECT   21   18   18    2   22                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   60                                       
CONECT   24   23   23   29   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   61   62   63                                       
CONECT   27   22   22   28   64                                       
CONECT   28   27   29   29   65                                       
CONECT   29   28   28   24   30                                       
CONECT   30   29   31   66                                            
CONECT   31   32   32   30   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34                                                 
CONECT   34   37   33   35   36                                       
CONECT   35   34   67   68   69                                       
CONECT   36   34   70   71   72                                       
CONECT   37   34   73   74   75                                       
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
