COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.527  -4.089   2.268  1.00  0.00           C  
HETATM    2  C   UNL     1       2.259  -4.392   0.793  1.00  0.00           C  
HETATM    3  CA  UNL     1       1.531  -3.209   0.153  1.00  0.00           C  
HETATM    4  C   UNL     1       1.152  -3.561  -1.287  1.00  0.00           C  
HETATM    5  O   UNL     1       2.321  -3.964  -2.002  1.00  0.00           O  
HETATM    6  N   UNL     1       2.409  -2.036   0.154  1.00  0.00           N  
HETATM    7  C   UNL     1       1.870  -0.773   0.127  1.00  0.00           C  
HETATM    8  N   UNL     1       0.549  -0.660   0.100  1.00  0.00           N  
HETATM    9  N   UNL     1       2.700   0.259   0.134  1.00  0.00           N  
HETATM   10  C   UNL     1       2.258   1.509   0.110  1.00  0.00           C  
HETATM   11  N   UNL     1       3.131   2.568   0.117  1.00  0.00           N  
HETATM   12  C   UNL     1       4.576   2.326   0.153  1.00  0.00           C  
HETATM   13  C   UNL     1       5.090   2.102  -1.270  1.00  0.00           C  
HETATM   14  C   UNL     1       5.281   3.539   0.765  1.00  0.00           C  
HETATM   15  C   UNL     1       0.802   1.726   0.073  1.00  0.00           C  
HETATM   16  N   UNL     1       0.282   2.942   0.047  1.00  0.00           N  
HETATM   17  O   UNL     1       0.945   3.878  -0.363  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.049   0.523   0.073  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.417   0.623   0.040  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.243  -0.581   0.157  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.699  -0.200   0.092  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.347  -0.153  -1.128  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.682   0.197  -1.190  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.372   0.501  -0.026  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.686   0.845  -0.084  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.720   0.453   1.198  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.386   0.098   1.255  1.00  0.00           C  
HETATM   28  H   UNL     1       3.046  -4.932   2.724  1.00  0.00           H  
HETATM   29  H   UNL     1       3.146  -3.195   2.349  1.00  0.00           H  
HETATM   30  H   UNL     1       1.581  -3.923   2.783  1.00  0.00           H  
HETATM   31  H   UNL     1       3.205  -4.558   0.278  1.00  0.00           H  
HETATM   32  H   UNL     1       1.640  -5.286   0.713  1.00  0.00           H  
HETATM   33  HA  UNL     1       0.628  -2.987   0.723  1.00  0.00           H  
HETATM   34  H1  UNL     1       0.428  -4.376  -1.283  1.00  0.00           H  
HETATM   35  H2  UNL     1       0.713  -2.688  -1.770  1.00  0.00           H  
HETATM   36  H   UNL     1       2.155  -4.203  -2.924  1.00  0.00           H  
HETATM   37  H   UNL     1       3.372  -2.152   0.174  1.00  0.00           H  
HETATM   38  H   UNL     1       2.792   3.476   0.099  1.00  0.00           H  
HETATM   39  H   UNL     1       4.781   1.443   0.757  1.00  0.00           H  
HETATM   40  H   UNL     1       6.165   1.922  -1.244  1.00  0.00           H  
HETATM   41  H   UNL     1       4.588   1.238  -1.706  1.00  0.00           H  
HETATM   42  H   UNL     1       4.885   2.985  -1.875  1.00  0.00           H  
HETATM   43  H   UNL     1       4.914   3.699   1.778  1.00  0.00           H  
HETATM   44  H   UNL     1       6.355   3.359   0.791  1.00  0.00           H  
HETATM   45  H   UNL     1       5.075   4.422   0.160  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.837   1.492  -0.060  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.009  -1.263  -0.661  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.037  -1.072   1.108  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.809  -0.390  -2.034  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.187   0.234  -2.144  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.292   0.095  -0.013  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.257   0.686   2.105  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.878   0.060   2.207  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    3    1   31   32                                       
CONECT    3    6    4    2   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4   36                                                 
CONECT    6    7    3   37                                            
CONECT    7    9    9    8    6                                       
CONECT    8   18   18    7                                            
CONECT    9   10    7    7                                            
CONECT   10   11   15   15    9                                       
CONECT   11   12   10   38                                            
CONECT   12   11   13   14   39                                       
CONECT   13   12   40   41   42                                       
CONECT   14   12   43   44   45                                       
CONECT   15   16   10   10   18                                       
CONECT   16   17   17   15                                            
CONECT   17   16   16                                                 
CONECT   18   15   19    8    8                                       
CONECT   19   18   20   46                                            
CONECT   20   19   21   47   48                                       
CONECT   21   27   20   22   22                                       
CONECT   22   21   21   23   49                                       
CONECT   23   24   24   22   50                                       
CONECT   24   26   25   23   23                                       
CONECT   25   24   51                                                 
CONECT   26   27   27   24   52                                       
CONECT   27   26   26   21   53                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
