COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.023   0.976   0.937  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.777   1.545  -0.036  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.193   3.384   1.288  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.403   2.880   2.304  1.00  0.00           C  
HETATM    5  C   UNL     1       3.689   0.736  -1.395  1.00  0.00           C  
HETATM    6  C   UNL     1       3.171   1.731  -2.436  1.00  0.00           C  
HETATM    7  C   UNL     1       5.003   1.226  -0.842  1.00  0.00           C  
HETATM    8  C   UNL     1       5.020   2.200   0.138  1.00  0.00           C  
HETATM    9  C   UNL     1       6.225   2.649   0.645  1.00  0.00           C  
HETATM   10  C   UNL     1       7.413   2.123   0.171  1.00  0.00           C  
HETATM   11  C   UNL     1       7.395   1.148  -0.808  1.00  0.00           C  
HETATM   12  C   UNL     1       6.190   0.696  -1.312  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.562  -0.584  -1.258  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.308  -0.166  -0.157  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.721   0.250  -0.333  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.308   0.218  -1.597  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.623   0.605  -1.754  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.359   1.025  -0.660  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.820  -3.436  -0.249  1.00  0.00           O  
HETATM   20  C   UNL     1       0.001  -2.639   0.164  1.00  0.00           C  
HETATM   21  C   UNL     1       1.364  -3.083   0.472  1.00  0.00           C  
HETATM   22  C   UNL     1       1.875  -4.327   0.236  1.00  0.00           C  
HETATM   23  C   UNL     1       3.206  -4.308   0.685  1.00  0.00           C  
HETATM   24  C   UNL     1       3.445  -3.069   1.168  1.00  0.00           C  
HETATM   25  O   UNL     1       2.335  -2.332   1.034  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.342  -1.347   0.337  1.00  0.00           N  
HETATM   27  C   UNL     1       0.678  -0.360   0.700  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.354   2.714   0.163  1.00  0.00           N  
HETATM   29  C   UNL     1       0.220   1.654   2.130  1.00  0.00           C  
HETATM   30  C   UNL     1       1.679  -0.238  -0.419  1.00  0.00           C  
HETATM   31  N   UNL     1       2.715   0.617  -0.306  1.00  0.00           N  
HETATM   32  O   UNL     1       1.553  -0.909  -1.422  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.671  -0.949   0.171  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.251  -0.976  -1.092  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.782   1.059   0.596  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.469   0.668   0.766  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.725  -0.140   1.108  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.412  -0.527   1.269  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.932   1.026  -0.970  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.682   4.338   1.415  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.275   3.433   3.222  1.00  0.00           H  
HETATM   42  H   UNL     1       3.831  -0.238  -1.863  1.00  0.00           H  
HETATM   43  H   UNL     1       3.028   2.705  -1.968  1.00  0.00           H  
HETATM   44  H   UNL     1       3.895   1.819  -3.246  1.00  0.00           H  
HETATM   45  H   UNL     1       2.220   1.377  -2.835  1.00  0.00           H  
HETATM   46  H   UNL     1       4.092   2.611   0.508  1.00  0.00           H  
HETATM   47  H   UNL     1       6.239   3.411   1.411  1.00  0.00           H  
HETATM   48  H   UNL     1       8.354   2.474   0.567  1.00  0.00           H  
HETATM   49  H   UNL     1       8.323   0.738  -1.179  1.00  0.00           H  
HETATM   50  H   UNL     1       6.176  -0.068  -2.075  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.012  -0.606  -2.240  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.735  -0.109  -2.451  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.079   0.581  -2.733  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.388   1.328  -0.788  1.00  0.00           H  
HETATM   55  H   UNL     1       1.357  -5.163  -0.208  1.00  0.00           H  
HETATM   56  H   UNL     1       3.906  -5.129   0.650  1.00  0.00           H  
HETATM   57  H   UNL     1       4.379  -2.728   1.590  1.00  0.00           H  
HETATM   58  H   UNL     1       1.187  -0.681   1.609  1.00  0.00           H  
HETATM   59  H   UNL     1       0.844   1.235   2.907  1.00  0.00           H  
HETATM   60  H   UNL     1       2.816   1.154   0.495  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.673  -1.304  -1.944  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.361   1.388   1.447  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.021   0.691   1.749  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.301   0.184   1.962  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.960  -0.508   2.250  1.00  0.00           H  
CONECT    1    2    2   29   27                                       
CONECT    2   28    1    1   39                                       
CONECT    3   28   28    4   40                                       
CONECT    4    3   29   29   41                                       
CONECT    5   31    6    7   42                                       
CONECT    6    5   43   44   45                                       
CONECT    7    5    8    8   12                                       
CONECT    8    7    7    9   46                                       
CONECT    9    8   10   10   47                                       
CONECT   10    9    9   11   48                                       
CONECT   11   12   12   10   49                                       
CONECT   12    7   11   11   50                                       
CONECT   13   14   14   34   51                                       
CONECT   14   37   13   13   15                                       
CONECT   15   14   16   16   36                                       
CONECT   16   15   15   17   52                                       
CONECT   17   16   18   18   53                                       
CONECT   18   17   17   35   54                                       
CONECT   19   20   20                                                 
CONECT   20   19   19   26   21                                       
CONECT   21   25   20   22   22                                       
CONECT   22   21   21   23   55                                       
CONECT   23   24   24   22   56                                       
CONECT   24   25   23   23   57                                       
CONECT   25   24   21                                                 
CONECT   26   20   27   33                                            
CONECT   27    1   30   26   58                                       
CONECT   28    3    3    2                                            
CONECT   29    4    4    1   59                                       
CONECT   30   32   32   27   31                                       
CONECT   31   30    5   60                                            
CONECT   32   30   30                                                 
CONECT   33   26   38   34   34                                       
CONECT   34   33   33   13   61                                       
CONECT   35   36   36   18   62                                       
CONECT   36   15   35   35   63                                       
CONECT   37   38   38   14   64                                       
CONECT   38   37   37   33   65                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
