COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.304   0.790  -4.159  1.00  0.00           C  
HETATM    2  O   UNL     1       1.416   0.908  -3.045  1.00  0.00           O  
HETATM    3  C   UNL     1       1.976   1.169  -1.836  1.00  0.00           C  
HETATM    4  C   UNL     1       3.270   1.319  -1.628  1.00  0.00           C  
HETATM    5  C   UNL     1       3.526   1.591  -0.173  1.00  0.00           C  
HETATM    6  C   UNL     1       3.666   3.135  -0.020  1.00  0.00           C  
HETATM    7  C   UNL     1       5.102   3.343   0.515  1.00  0.00           C  
HETATM    8  C   UNL     1       5.805   2.036   0.064  1.00  0.00           C  
HETATM    9  N   UNL     1       4.748   1.015   0.364  1.00  0.00           N  
HETATM   10  C   UNL     1       5.167  -0.269  -0.209  1.00  0.00           C  
HETATM   11  C   UNL     1       3.971  -1.081  -0.675  1.00  0.00           C  
HETATM   12  C   UNL     1       2.979  -1.260   0.437  1.00  0.00           C  
HETATM   13  C   UNL     1       2.869  -2.593   0.884  1.00  0.00           C  
HETATM   14  C   UNL     1       1.999  -2.869   1.920  1.00  0.00           C  
HETATM   15  O   UNL     1       1.706  -4.037   2.538  1.00  0.00           O  
HETATM   16  C   UNL     1       0.447  -3.804   3.207  1.00  0.00           C  
HETATM   17  O   UNL     1       0.465  -2.385   3.479  1.00  0.00           O  
HETATM   18  C   UNL     1       1.232  -1.848   2.502  1.00  0.00           C  
HETATM   19  C   UNL     1       1.339  -0.547   2.051  1.00  0.00           C  
HETATM   20  C   UNL     1       2.232  -0.279   0.998  1.00  0.00           C  
HETATM   21  C   UNL     1       2.264   1.170   0.577  1.00  0.00           C  
HETATM   22  C   UNL     1       1.199   1.330  -0.548  1.00  0.00           C  
HETATM   23  O   UNL     1       0.172   0.309  -0.440  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.042   0.612  -0.926  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.240   1.694  -1.425  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.158  -0.398  -0.850  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.075  -1.342  -2.051  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.168  -2.375  -1.955  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.872  -2.420  -0.975  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.359  -3.245  -2.960  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.351  -4.285  -2.751  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.036  -1.152   0.358  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.505   0.328  -0.864  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.609   1.232   0.365  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.999   1.872   0.411  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.061   2.874   1.565  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.441   3.535   1.593  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.818   2.145   2.888  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.057   3.875   1.382  1.00  0.00           O  
HETATM   40  H   UNL     1       3.006  -0.024  -3.979  1.00  0.00           H  
HETATM   41  H   UNL     1       1.728   0.581  -5.061  1.00  0.00           H  
HETATM   42  H   UNL     1       2.853   1.722  -4.286  1.00  0.00           H  
HETATM   43  H   UNL     1       4.031   1.258  -2.394  1.00  0.00           H  
HETATM   44  H   UNL     1       3.547   3.611  -0.992  1.00  0.00           H  
HETATM   45  H   UNL     1       2.932   3.505   0.690  1.00  0.00           H  
HETATM   46  H   UNL     1       5.568   4.211   0.053  1.00  0.00           H  
HETATM   47  H   UNL     1       5.101   3.428   1.601  1.00  0.00           H  
HETATM   48  H   UNL     1       6.018   2.056  -1.000  1.00  0.00           H  
HETATM   49  H   UNL     1       6.694   1.847   0.655  1.00  0.00           H  
HETATM   50  H   UNL     1       5.837  -0.091  -1.058  1.00  0.00           H  
HETATM   51  H   UNL     1       5.722  -0.841   0.544  1.00  0.00           H  
HETATM   52  H   UNL     1       3.505  -0.668  -1.553  1.00  0.00           H  
HETATM   53  H   UNL     1       4.339  -2.086  -0.954  1.00  0.00           H  
HETATM   54  H   UNL     1       3.457  -3.376   0.427  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.386  -4.058   2.554  1.00  0.00           H  
HETATM   56  H   UNL     1       0.397  -4.370   4.135  1.00  0.00           H  
HETATM   57  H   UNL     1       0.756   0.249   2.492  1.00  0.00           H  
HETATM   58  H   UNL     1       2.060   1.834   1.431  1.00  0.00           H  
HETATM   59  H   UNL     1       0.745   2.323  -0.502  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.194  -0.770  -2.971  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.105  -1.839  -2.056  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.346  -4.967  -3.601  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.114  -4.836  -1.841  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.338  -3.831  -2.654  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.080  -0.617   1.162  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.582   0.932  -1.768  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.312  -0.404  -0.846  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.452   0.640   1.267  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.852   2.014   0.307  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.193   2.388  -0.529  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.750   1.097   0.562  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.206   2.772   1.733  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.485   4.249   2.415  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.614   4.055   0.651  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.793   1.775   2.916  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.979   2.833   3.718  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.510   1.306   2.973  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.039   4.545   2.079  1.00  0.00           H  
CONECT    1   40   41   42    2                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   22                                       
CONECT    4    3    3    5   43                                       
CONECT    5    4    9    6   21                                       
CONECT    6    5    7   44   45                                       
CONECT    7    6    8   46   47                                       
CONECT    8    7   48   49    9                                       
CONECT    9    5    8   10                                            
CONECT   10    9   50   51   11                                       
CONECT   11   10   52   53   12                                       
CONECT   12   11   13   20   20                                       
CONECT   13   12   54   14   14                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16                                                 
CONECT   16   15   55   56   17                                       
CONECT   17   16   18                                                 
CONECT   18   14   17   19   19                                       
CONECT   19   18   18   20   57                                       
CONECT   20   19   12   12   21                                       
CONECT   21    5   20   58   22                                       
CONECT   22    3   21   23   59                                       
CONECT   23   22   24                                                 
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   33   27   32                                       
CONECT   27   26   60   61   28                                       
CONECT   28   27   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   62   63   64                                       
CONECT   32   26   65                                                 
CONECT   33   26   66   67   34                                       
CONECT   34   33   35   68   69                                       
CONECT   35   34   70   71   36                                       
CONECT   36   35   39   37   38                                       
CONECT   37   36   72   73   74                                       
CONECT   38   36   75   76   77                                       
CONECT   39   36   78                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
