COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.763   2.895   1.207  1.00  0.00           C  
HETATM    2  C   UNL     1       4.385   4.261   0.597  1.00  0.00           C  
HETATM    3  C   UNL     1       5.068   4.258  -0.794  1.00  0.00           C  
HETATM    4  C   UNL     1       4.890   2.790  -1.258  1.00  0.00           C  
HETATM    5  C   UNL     1       5.084   1.961   0.028  1.00  0.00           C  
HETATM    6  N   UNL     1       4.168   0.817   0.030  1.00  0.00           N  
HETATM    7  C   UNL     1       2.806   0.906  -0.073  1.00  0.00           C  
HETATM    8  C   UNL     1       4.552  -0.493   0.129  1.00  0.00           C  
HETATM    9  N   UNL     1       5.729  -1.108   0.244  1.00  0.00           N  
HETATM   10  C   UNL     1       5.797  -2.419   0.322  1.00  0.00           C  
HETATM   11  N   UNL     1       4.726  -3.192   0.293  1.00  0.00           N  
HETATM   12  C   UNL     1       3.507  -2.670   0.181  1.00  0.00           C  
HETATM   13  N   UNL     1       2.388  -3.482   0.151  1.00  0.00           N  
HETATM   14  C   UNL     1       3.386  -1.276   0.095  1.00  0.00           C  
HETATM   15  C   UNL     1       2.265  -0.337  -0.038  1.00  0.00           C  
HETATM   16  C   UNL     1       0.825  -0.680  -0.121  1.00  0.00           C  
HETATM   17  C   UNL     1       0.390  -1.654  -1.018  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.950  -1.972  -1.093  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.096  -0.034   0.703  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.434  -0.355   0.624  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.866  -1.323  -0.275  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.225  -1.647  -0.353  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.158  -0.697  -0.141  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.821   0.459   0.025  1.00  0.00           O  
HETATM   25  N   UNL     1      -5.464  -1.029  -0.113  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.437  -0.031  -0.001  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.225   1.215  -0.576  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.188   2.199  -0.464  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.363   1.944   0.220  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.577   0.705   0.794  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.620  -0.285   0.681  1.00  0.00           C  
HETATM   32  H   UNL     1       5.638   3.002   1.848  1.00  0.00           H  
HETATM   33  H   UNL     1       3.925   2.499   1.781  1.00  0.00           H  
HETATM   34  H   UNL     1       3.303   4.345   0.490  1.00  0.00           H  
HETATM   35  H   UNL     1       4.773   5.074   1.210  1.00  0.00           H  
HETATM   36  H   UNL     1       4.561   4.942  -1.474  1.00  0.00           H  
HETATM   37  H   UNL     1       6.124   4.513  -0.706  1.00  0.00           H  
HETATM   38  H   UNL     1       3.890   2.637  -1.664  1.00  0.00           H  
HETATM   39  H   UNL     1       5.646   2.531  -1.999  1.00  0.00           H  
HETATM   40  H   UNL     1       6.115   1.613   0.097  1.00  0.00           H  
HETATM   41  H   UNL     1       2.247   1.825  -0.167  1.00  0.00           H  
HETATM   42  H   UNL     1       6.767  -2.883   0.414  1.00  0.00           H  
HETATM   43  H   UNL     1       2.486  -4.445   0.212  1.00  0.00           H  
HETATM   44  H   UNL     1       1.505  -3.089   0.069  1.00  0.00           H  
HETATM   45  H   UNL     1       1.101  -2.159  -1.655  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.288  -2.726  -1.789  1.00  0.00           H  
HETATM   47  H   UNL     1       0.239   0.718   1.402  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.148   0.145   1.262  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.496  -2.555  -0.560  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.728  -1.961  -0.170  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.308   1.415  -1.111  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.024   3.168  -0.912  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.114   2.715   0.307  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.495   0.509   1.329  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.790  -1.255   1.125  1.00  0.00           H  
CONECT    1    5    2   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    5    3   38   39                                       
CONECT    5    1    6    4   40                                       
CONECT    6    5    8    7                                            
CONECT    7    6   15   15   41                                       
CONECT    8    9    6   14   14                                       
CONECT    9   10   10    8                                            
CONECT   10    9    9   11   42                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   14   13                                       
CONECT   13   12   43   44                                            
CONECT   14    8    8   12   15                                       
CONECT   15   14    7    7   16                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   45                                       
CONECT   18   17   21   21   46                                       
CONECT   19   16   20   20   47                                       
CONECT   20   19   19   21   48                                       
CONECT   21   18   18   20   22                                       
CONECT   22   21   23   49                                            
CONECT   23   24   24   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   50                                            
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   51                                       
CONECT   28   27   29   29   52                                       
CONECT   29   28   28   30   53                                       
CONECT   30   31   31   29   54                                       
CONECT   31   26   30   30   55                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
