COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.075  -1.679  -0.242  1.00  0.00           C  
HETATM    2  C   UNL     1       1.315  -1.095  -0.048  1.00  0.00           C  
HETATM    3  C   UNL     1       1.499   0.255  -0.253  1.00  0.00           C  
HETATM    4  C   UNL     1       0.424   1.047  -0.645  1.00  0.00           C  
HETATM    5  C   UNL     1       3.333   1.505  -1.359  1.00  0.00           C  
HETATM    6  C   UNL     1       2.779   1.928   1.021  1.00  0.00           C  
HETATM    7  C   UNL     1       3.851  -0.214   0.379  1.00  0.00           C  
HETATM    8  C   UNL     1       5.261   0.377   0.432  1.00  0.00           C  
HETATM    9  C   UNL     1       6.224  -0.666   0.940  1.00  0.00           C  
HETATM   10  C   UNL     1       7.213  -1.070   0.182  1.00  0.00           C  
HETATM   11  C   UNL     1       7.328  -0.570  -1.235  1.00  0.00           C  
HETATM   12  C   UNL     1       8.235  -2.033   0.727  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.842   0.467  -0.823  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.822  -0.371   1.042  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.241   1.495  -1.323  1.00  0.00           C  
HETATM   16  CA  UNL     1      -3.756   1.770   0.106  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.487  -1.737  -2.368  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.239   1.434   0.248  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.967  -2.485   0.453  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.199  -2.109   1.279  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.387  -3.396  -0.702  1.00  0.00           C  
HETATM   22  N   UNL     1       0.301   2.388  -0.937  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.011   2.683  -1.197  1.00  0.00           C  
HETATM   24  C   UNL     1       2.860   0.870  -0.050  1.00  0.00           C  
HETATM   25  C   UNL     1       3.408   1.759   2.157  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.008  -0.924  -0.674  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.318  -1.207  -0.111  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.188  -1.576  -0.956  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.916   0.979   1.028  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.749   1.560  -1.122  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.303  -0.929   2.003  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.691   1.815   1.548  1.00  0.00           O  
HETATM   33  H   UNL     1      -0.056  -2.739  -0.080  1.00  0.00           H  
HETATM   34  H   UNL     1       2.150  -1.703   0.266  1.00  0.00           H  
HETATM   35  H   UNL     1       4.318   1.950  -1.212  1.00  0.00           H  
HETATM   36  H   UNL     1       3.392   0.740  -2.133  1.00  0.00           H  
HETATM   37  H   UNL     1       2.627   2.277  -1.664  1.00  0.00           H  
HETATM   38  H   UNL     1       2.201   2.825   0.851  1.00  0.00           H  
HETATM   39  H   UNL     1       3.827  -1.033  -0.340  1.00  0.00           H  
HETATM   40  H   UNL     1       3.576  -0.588   1.365  1.00  0.00           H  
HETATM   41  H   UNL     1       5.562   0.691  -0.568  1.00  0.00           H  
HETATM   42  H   UNL     1       5.270   1.237   1.101  1.00  0.00           H  
HETATM   43  H   UNL     1       6.098  -1.080   1.930  1.00  0.00           H  
HETATM   44  H   UNL     1       7.853   0.385  -1.242  1.00  0.00           H  
HETATM   45  H   UNL     1       7.884  -1.294  -1.831  1.00  0.00           H  
HETATM   46  H   UNL     1       6.332  -0.441  -1.657  1.00  0.00           H  
HETATM   47  H   UNL     1       7.910  -3.056   0.534  1.00  0.00           H  
HETATM   48  H   UNL     1       9.195  -1.859   0.241  1.00  0.00           H  
HETATM   49  H   UNL     1       8.340  -1.883   1.802  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.571   0.548  -1.715  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.559   2.303  -1.998  1.00  0.00           H  
HETATM   52  HA  UNL     1      -3.619   2.844   0.330  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.661  -2.252  -2.858  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.399  -2.323  -2.482  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.625  -0.757  -2.824  1.00  0.00           H  
HETATM   56  H1  UNL     1      -5.808   1.975  -0.508  1.00  0.00           H  
HETATM   57  H2  UNL     1      -5.382   0.362   0.113  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.250  -3.007   1.086  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.611  -3.004   1.745  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.914  -1.396   2.053  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.949  -1.659   0.629  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.104  -2.874  -1.336  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.509  -3.664  -1.291  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.846  -4.300  -0.303  1.00  0.00           H  
HETATM   65  H   UNL     1       1.030   3.027  -0.950  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.403   3.662  -1.429  1.00  0.00           H  
HETATM   67  H   UNL     1       3.427   2.555   2.887  1.00  0.00           H  
HETATM   68  H   UNL     1       3.908   0.825   2.364  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.075  -0.680  -0.687  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.371   1.473   1.690  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.627   1.630   1.709  1.00  0.00           H  
CONECT    1   26   26    2   33                                       
CONECT    2    3    3    1   34                                       
CONECT    3    4   24    2    2                                       
CONECT    4   22   13   13    3                                       
CONECT    5   24   35   36   37                                       
CONECT    6   25   25   24   38                                       
CONECT    7    8   24   39   40                                       
CONECT    8    9    7   41   42                                       
CONECT    9   10   10    8   43                                       
CONECT   10   12    9    9   11                                       
CONECT   11   10   44   45   46                                       
CONECT   12   10   47   48   49                                       
CONECT   13   30    4    4   26                                       
CONECT   14   29   31   31   27                                       
CONECT   15   16   30   50   51                                       
CONECT   16   18   15   29   52                                       
CONECT   17   28   53   54   55                                       
CONECT   18   32   16   56   57                                       
CONECT   19   27   21   20   58                                       
CONECT   20   19   59   60   61                                       
CONECT   21   19   62   63   64                                       
CONECT   22   23    4   65                                            
CONECT   23   30   30   22   66                                       
CONECT   24    7    6    3    5                                       
CONECT   25    6    6   67   68                                       
CONECT   26   13   28    1    1                                       
CONECT   27   14   28   19   69                                       
CONECT   28   17   26   27                                            
CONECT   29   16   14   70                                            
CONECT   30   23   23   15   13                                       
CONECT   31   14   14                                                 
CONECT   32   18   71                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   32                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
