COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.567   5.208   0.219  1.00  0.00           O  
HETATM    2  C   UNL     1       1.516   4.679   1.030  1.00  0.00           C  
HETATM    3  CA  UNL     1       0.912   3.452   0.345  1.00  0.00           C  
HETATM    4  C   UNL     1       0.463   3.826  -1.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.253   2.635  -1.710  1.00  0.00           C  
HETATM    6  N   UNL     1       1.918   2.389   0.272  1.00  0.00           N  
HETATM    7  C   UNL     1       1.522   1.068   0.190  1.00  0.00           C  
HETATM    8  N   UNL     1       0.217   0.773   0.173  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.193  -0.478   0.095  1.00  0.00           C  
HETATM   10  N   UNL     1       0.729  -1.487   0.032  1.00  0.00           N  
HETATM   11  N   UNL     1       0.625  -2.878  -0.055  1.00  0.00           N  
HETATM   12  C   UNL     1       1.832  -3.393  -0.088  1.00  0.00           C  
HETATM   13  C   UNL     1       2.764  -2.362  -0.025  1.00  0.00           C  
HETATM   14  C   UNL     1       4.263  -2.516  -0.035  1.00  0.00           C  
HETATM   15  C   UNL     1       4.698  -3.361   1.163  1.00  0.00           C  
HETATM   16  C   UNL     1       4.696  -3.207  -1.330  1.00  0.00           C  
HETATM   17  C   UNL     1       2.066  -1.171   0.050  1.00  0.00           C  
HETATM   18  N   UNL     1       2.438   0.118   0.125  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.533  -0.766   0.079  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.516   0.319   0.148  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.907  -0.261   0.113  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.544  -0.457  -1.098  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.819  -0.988  -1.130  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.458  -1.324   0.050  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.821  -1.128   1.261  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.543  -0.601   1.292  1.00  0.00           C  
HETATM   27  H   UNL     1       2.997   5.990   0.593  1.00  0.00           H  
HETATM   28  H1  UNL     1       1.916   4.392   2.002  1.00  0.00           H  
HETATM   29  H2  UNL     1       0.744   5.437   1.164  1.00  0.00           H  
HETATM   30  HA  UNL     1       0.054   3.101   0.918  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.218   4.676  -1.021  1.00  0.00           H  
HETATM   32  H   UNL     1       1.334   4.092  -1.669  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.123   2.369  -1.110  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.573   2.902  -2.717  1.00  0.00           H  
HETATM   35  H   UNL     1       0.428   1.785  -1.758  1.00  0.00           H  
HETATM   36  H   UNL     1       2.861   2.612   0.281  1.00  0.00           H  
HETATM   37  H   UNL     1       2.064  -4.445  -0.154  1.00  0.00           H  
HETATM   38  H   UNL     1       4.730  -1.533   0.025  1.00  0.00           H  
HETATM   39  H   UNL     1       5.782  -3.472   1.156  1.00  0.00           H  
HETATM   40  H   UNL     1       4.390  -2.869   2.086  1.00  0.00           H  
HETATM   41  H   UNL     1       4.231  -4.344   1.103  1.00  0.00           H  
HETATM   42  H   UNL     1       4.386  -2.605  -2.184  1.00  0.00           H  
HETATM   43  H   UNL     1       5.780  -3.318  -1.338  1.00  0.00           H  
HETATM   44  H   UNL     1       4.229  -4.190  -1.391  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.831  -1.687   0.022  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.377   0.876   1.074  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.379   0.987  -0.702  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.045  -0.195  -2.019  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.317  -1.141  -2.076  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.455  -1.738   0.025  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.320  -1.390   2.182  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.043  -0.452   2.238  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    1    3   28   29                                       
CONECT    3    2    6    4   30                                       
CONECT    4    3    5   31   32                                       
CONECT    5    4   33   34   35                                       
CONECT    6    3    7   36                                            
CONECT    7    6    8   18   18                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   19   10                                       
CONECT   10    9   11   17                                            
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   37                                       
CONECT   13   12   17   17   14                                       
CONECT   14   13   16   15   38                                       
CONECT   15   14   39   40   41                                       
CONECT   16   14   42   43   44                                       
CONECT   17   10   13   13   18                                       
CONECT   18    7    7   17                                            
CONECT   19    9   20   45                                            
CONECT   20   19   21   46   47                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   48                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   25   50                                       
CONECT   25   24   26   26   51                                       
CONECT   26   21   25   25   52                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
