COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1      -0.788   1.319  -4.628  1.00  0.00           B  
HETATM    2  C   UNL     1       0.063   0.121  -4.077  1.00  0.00           C  
HETATM    3  C   UNL     1       0.438  -0.810  -5.231  1.00  0.00           C  
HETATM    4  C   UNL     1       1.257  -0.037  -6.266  1.00  0.00           C  
HETATM    5  C   UNL     1       1.632  -0.969  -7.420  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.661  -0.273  -1.785  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.467  -1.035  -0.765  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.972  -0.905  -1.081  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.616  -0.784   0.324  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.541   0.026   1.090  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.074  -0.420   1.227  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.240  -0.891   3.656  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.191   2.602  1.00  0.00           C  
HETATM   14  C   UNL     1       2.426   0.006   2.730  1.00  0.00           C  
HETATM   15  C   UNL     1       3.790   0.613   2.936  1.00  0.00           C  
HETATM   16  C   UNL     1       1.112   0.335   6.960  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.028   0.842   7.554  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.237   0.788   6.887  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.306   0.226   5.625  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.165  -0.279   5.031  1.00  0.00           C  
HETATM   21  C   UNL     1       1.042  -0.229   5.700  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.720  -0.619  -3.086  1.00  0.00           N  
HETATM   23  N   UNL     1       2.418  -0.226  -8.414  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.253  -0.473   0.576  1.00  0.00           N  
HETATM   25  N   UNL     1       1.326   0.781   2.802  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.023   1.070  -5.284  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.323   2.652  -4.472  1.00  0.00           O  
HETATM   28  O   UNL     1       0.040   0.651  -1.434  1.00  0.00           O  
HETATM   29  O   UNL     1       0.926  -0.864   0.705  1.00  0.00           O  
HETATM   30  O   UNL     1       2.319  -1.179   2.500  1.00  0.00           O  
HETATM   31  H   UNL     1       0.970   0.505  -3.610  1.00  0.00           H  
HETATM   32  H   UNL     1       1.030  -1.642  -4.848  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.468  -1.194  -5.698  1.00  0.00           H  
HETATM   34  H   UNL     1       0.666   0.794  -6.649  1.00  0.00           H  
HETATM   35  H   UNL     1       2.164   0.346  -5.799  1.00  0.00           H  
HETATM   36  H   UNL     1       2.224  -1.801  -7.037  1.00  0.00           H  
HETATM   37  H   UNL     1       0.725  -1.352  -7.887  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.176  -2.085  -0.772  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.338  -1.792  -1.599  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.162  -0.008  -1.671  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.758  -1.767   0.774  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.558  -0.238   0.277  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.620  -0.156   2.161  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.647   1.090   0.878  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.227  -1.330   3.507  1.00  0.00           H  
HETATM   46  H   UNL     1       0.520  -1.666   3.561  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.760   0.966   2.697  1.00  0.00           H  
HETATM   48  H   UNL     1       4.551  -0.161   2.842  1.00  0.00           H  
HETATM   49  H   UNL     1       3.961   1.385   2.186  1.00  0.00           H  
HETATM   50  H   UNL     1       3.844   1.056   3.931  1.00  0.00           H  
HETATM   51  H   UNL     1       2.057   0.378   7.481  1.00  0.00           H  
HETATM   52  H   UNL     1       0.025   1.281   8.539  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.128   1.184   7.350  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.251   0.184   5.104  1.00  0.00           H  
HETATM   55  H   UNL     1       1.933  -0.626   5.236  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.281  -1.359  -3.366  1.00  0.00           H  
HETATM   57  H   UNL     1       2.642  -0.877  -9.152  1.00  0.00           H  
HETATM   58  H   UNL     1       1.801   0.464  -8.814  1.00  0.00           H  
HETATM   59  H   UNL     1       1.412   1.729   2.987  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.381   1.931  -5.542  1.00  0.00           H  
HETATM   61  H   UNL     1       0.522   2.600  -4.006  1.00  0.00           H  
CONECT    1    2   26   27                                            
CONECT    2    1    3   22   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4   23   36   37                                       
CONECT    6    7   22   28   28                                       
CONECT    7    6    8   24   38                                       
CONECT    8    7    9   39   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   24   43   44                                       
CONECT   11   13   24   29   29                                       
CONECT   12   13   20   45   46                                       
CONECT   13   11   12   25   47                                       
CONECT   14   15   25   30   30                                       
CONECT   15   14   48   49   50                                       
CONECT   16   17   17   21   51                                       
CONECT   17   16   16   18   52                                       
CONECT   18   17   19   19   53                                       
CONECT   19   18   18   20   54                                       
CONECT   20   12   19   21   21                                       
CONECT   21   16   20   20   55                                       
CONECT   22    2    6   56                                            
CONECT   23    5   57   58                                            
CONECT   24    7   10   11                                            
CONECT   25   13   14   59                                            
CONECT   26    1   60                                                 
CONECT   27    1   61                                                 
CONECT   28    6    6                                                 
CONECT   29   11   11                                                 
CONECT   30   14   14                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
