COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.205   2.421   0.680  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.318   3.312   0.093  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.079   2.873  -0.340  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.725   1.524  -0.184  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.626   0.634   0.410  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.852   1.084   0.841  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.419   2.855   1.103  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.212   3.743  -0.915  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.409   1.047  -0.642  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.912   1.511  -1.651  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.756   0.097   0.056  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.419  -0.577   1.174  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.626  -2.030   0.834  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.458  -2.383  -0.213  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.644  -3.716  -0.529  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.998  -4.696   0.202  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.166  -4.343   1.248  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.981  -3.010   1.564  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.449  -0.244  -0.287  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.833  -1.333   0.322  1.00  0.00           C  
HETATM   21  C   UNL     1       0.458  -1.673  -0.014  1.00  0.00           C  
HETATM   22  C   UNL     1       1.151  -0.922  -0.968  1.00  0.00           C  
HETATM   23  C   UNL     1       0.529   0.171  -1.579  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.764   0.502  -1.242  1.00  0.00           C  
HETATM   25  C   UNL     1       2.535  -1.283  -1.330  1.00  0.00           C  
HETATM   26  N   UNL     1       3.376  -1.755  -0.389  1.00  0.00           N  
HETATM   27  O   UNL     1       2.916  -1.155  -2.478  1.00  0.00           O  
HETATM   28  C   UNL     1       2.893  -1.992   0.973  1.00  0.00           C  
HETATM   29  C   UNL     1       4.774  -2.031  -0.729  1.00  0.00           C  
HETATM   30  C   UNL     1       5.603  -0.795  -0.490  1.00  0.00           C  
HETATM   31  C   UNL     1       6.512   1.255  -1.337  1.00  0.00           C  
HETATM   32  C   UNL     1       5.770   0.129  -1.520  1.00  0.00           C  
HETATM   33  C   UNL     1       6.173  -0.595   0.729  1.00  0.00           C  
HETATM   34  C   UNL     1       7.121   1.494  -0.093  1.00  0.00           C  
HETATM   35  C   UNL     1       6.947   0.556   0.956  1.00  0.00           C  
HETATM   36  N   UNL     1       7.520   0.780   2.144  1.00  0.00           N  
HETATM   37  C   UNL     1       8.237   1.865   2.326  1.00  0.00           C  
HETATM   38  C   UNL     1       8.408   2.789   1.292  1.00  0.00           C  
HETATM   39  N   UNL     1       7.855   2.591   0.117  1.00  0.00           N  
HETATM   40  H   UNL     1      -6.595   4.349  -0.025  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.358  -0.405   0.532  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.546   0.397   1.303  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.428   3.167   2.019  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.617   4.177  -0.288  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.798  -0.498   2.066  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.384  -0.106   1.361  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.962  -1.617  -0.784  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.294  -3.991  -1.346  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.144  -5.737  -0.044  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.661  -5.108   1.819  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.328  -2.734   2.379  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.368  -1.913   1.060  1.00  0.00           H  
HETATM   53  H   UNL     1       0.936  -2.517   0.460  1.00  0.00           H  
HETATM   54  H   UNL     1       1.062   0.753  -2.316  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.246   1.344  -1.717  1.00  0.00           H  
HETATM   56  H   UNL     1       2.504  -3.007   1.049  1.00  0.00           H  
HETATM   57  H   UNL     1       3.715  -1.864   1.678  1.00  0.00           H  
HETATM   58  H   UNL     1       2.101  -1.281   1.207  1.00  0.00           H  
HETATM   59  H   UNL     1       5.146  -2.844  -0.105  1.00  0.00           H  
HETATM   60  H   UNL     1       4.844  -2.318  -1.778  1.00  0.00           H  
HETATM   61  H   UNL     1       6.632   1.962  -2.145  1.00  0.00           H  
HETATM   62  H   UNL     1       5.303  -0.051  -2.477  1.00  0.00           H  
HETATM   63  H   UNL     1       6.031  -1.318   1.519  1.00  0.00           H  
HETATM   64  H   UNL     1       8.700   2.045   3.285  1.00  0.00           H  
HETATM   65  H   UNL     1       9.002   3.675   1.461  1.00  0.00           H  
CONECT    1    2    7    6    6                                       
CONECT    2    3    3    1   40                                       
CONECT    3    8    2    2    4                                       
CONECT    4    3    9    5    5                                       
CONECT    5    4    4    6   41                                       
CONECT    6    1    1    5   42                                       
CONECT    7    1   43                                                 
CONECT    8    3   44                                                 
CONECT    9   10   10    4   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   19                                            
CONECT   12   13   11   45   46                                       
CONECT   13   14   14   18   12                                       
CONECT   14   15   13   13   47                                       
CONECT   15   16   16   14   48                                       
CONECT   16   15   15   17   49                                       
CONECT   17   16   18   18   50                                       
CONECT   18   17   17   13   51                                       
CONECT   19   11   20   20   24                                       
CONECT   20   19   19   21   52                                       
CONECT   21   20   22   22   53                                       
CONECT   22   21   21   23   25                                       
CONECT   23   24   24   22   54                                       
CONECT   24   19   23   23   55                                       
CONECT   25   22   26   27   27                                       
CONECT   26   28   25   29                                            
CONECT   27   25   25                                                 
CONECT   28   26   56   57   58                                       
CONECT   29   26   30   59   60                                       
CONECT   30   29   33   33   32                                       
CONECT   31   32   32   34   61                                       
CONECT   32   30   31   31   62                                       
CONECT   33   30   30   35   63                                       
CONECT   34   35   31   39   39                                       
CONECT   35   33   36   36   34                                       
CONECT   36   35   35   37                                            
CONECT   37   36   38   38   64                                       
CONECT   38   37   37   39   65                                       
CONECT   39   34   34   38                                            
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
