COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.835  -1.577  11.144  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.936  -1.394   9.920  1.00  0.00           C  
HETATM    3  C   UNL     1       0.492   1.802  11.143  1.00  0.00           C  
HETATM    4  C   UNL     1       0.326   0.290  10.981  1.00  0.00           C  
HETATM    5  C   UNL     1       0.327   0.120   8.630  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.541   0.087   7.371  1.00  0.00           C  
HETATM    7  C   UNL     1       0.355   0.100   6.131  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.513   0.066   4.872  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.218   0.053   2.424  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.139  -0.006   1.144  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.340   0.004  -0.012  1.00  0.00           C  
HETATM   12  C   UNL     1       0.071   0.042   0.136  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.899  -0.020  -1.300  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.034  -0.006  -2.383  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.031  -2.159  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.568  -0.032  -3.766  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.409   0.986  -4.209  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.906   0.960  -5.502  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.567  -0.079  -6.356  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.730  -1.095  -5.918  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.225  -1.072  -4.628  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.066   1.648  -7.288  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.061  -1.853  -7.998  1.00  0.00           C  
HETATM   24  C   UNL     1       2.552   0.081  -3.049  1.00  0.00           C  
HETATM   25  C   UNL     1       4.838   0.133  -3.891  1.00  0.00           C  
HETATM   26  C   UNL     1       5.553   0.141  -5.243  1.00  0.00           C  
HETATM   27  C   UNL     1       5.204   1.399  -3.113  1.00  0.00           C  
HETATM   28  C   UNL     1       5.269  -1.098  -3.093  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.528   0.013   9.818  1.00  0.00           N  
HETATM   30  N   UNL     1       0.345   0.079   3.686  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.544   0.018   2.319  1.00  0.00           N  
HETATM   32  N   UNL     1       0.580   0.071   1.374  1.00  0.00           N  
HETATM   33  N   UNL     1       0.858   0.054  -0.940  1.00  0.00           N  
HETATM   34  N   UNL     1       1.219   0.044  -3.246  1.00  0.00           N  
HETATM   35  N   UNL     1       3.389   0.094  -4.105  1.00  0.00           N  
HETATM   36  O   UNL     1      -3.727   1.953  -5.934  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.400  -2.111  -6.758  1.00  0.00           O  
HETATM   38  O   UNL     1       2.999   0.101  -1.919  1.00  0.00           O  
HETATM   39  H   UNL     1      -2.720  -0.949  11.043  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.138  -2.621  11.220  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.288  -1.291  12.043  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.051  -2.022  10.022  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.483  -1.679   9.022  1.00  0.00           H  
HETATM   44  H   UNL     1       1.152   2.007  11.986  1.00  0.00           H  
HETATM   45  H   UNL     1       0.925   2.220  10.234  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.480   2.257  11.324  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.134  -0.122  11.878  1.00  0.00           H  
HETATM   48  H   UNL     1       1.303  -0.168  10.830  1.00  0.00           H  
HETATM   49  H   UNL     1       0.881   1.058   8.664  1.00  0.00           H  
HETATM   50  H   UNL     1       1.027  -0.714   8.610  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.147  -0.819   7.371  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.193   0.960   7.356  1.00  0.00           H  
HETATM   53  H   UNL     1       0.961   1.006   6.131  1.00  0.00           H  
HETATM   54  H   UNL     1       1.008  -0.773   6.146  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.119  -0.839   4.873  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.165   0.940   4.858  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.216  -0.035   1.070  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.969  -0.050  -1.442  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.674   1.796  -3.544  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.955  -0.097  -7.363  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.574  -1.863  -4.288  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.727   2.422  -7.680  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.158   1.607  -7.890  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.573   0.684  -7.328  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.825  -2.646  -8.708  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.138  -1.820  -7.836  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.724  -0.897  -8.397  1.00  0.00           H  
HETATM   68  H   UNL     1       6.631   0.170  -5.084  1.00  0.00           H  
HETATM   69  H   UNL     1       5.292  -0.760  -5.798  1.00  0.00           H  
HETATM   70  H   UNL     1       5.246   1.019  -5.812  1.00  0.00           H  
HETATM   71  H   UNL     1       4.897   2.276  -3.681  1.00  0.00           H  
HETATM   72  H   UNL     1       4.694   1.393  -2.149  1.00  0.00           H  
HETATM   73  H   UNL     1       6.282   1.428  -2.954  1.00  0.00           H  
HETATM   74  H   UNL     1       5.008  -2.000  -3.647  1.00  0.00           H  
HETATM   75  H   UNL     1       6.347  -1.069  -2.933  1.00  0.00           H  
HETATM   76  H   UNL     1       4.759  -1.104  -2.129  1.00  0.00           H  
HETATM   77  H   UNL     1       1.310   0.105   3.785  1.00  0.00           H  
HETATM   78  H   UNL     1       0.862   0.028  -4.148  1.00  0.00           H  
HETATM   79  H   UNL     1       3.032   0.077  -5.007  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1   29   42   43                                       
CONECT    3    4   44   45   46                                       
CONECT    4    3   29   47   48                                       
CONECT    5    6   29   49   50                                       
CONECT    6    5    7   51   52                                       
CONECT    7    6    8   53   54                                       
CONECT    8    7   30   55   56                                       
CONECT    9   30   31   31   32                                       
CONECT   10   11   11   31   57                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11   32   32   33                                       
CONECT   13   11   14   14   58                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14   33   33   34                                       
CONECT   16   14   17   17   21                                       
CONECT   17   16   16   18   59                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   60                                       
CONECT   20   19   21   21   37                                       
CONECT   21   16   20   20   61                                       
CONECT   22   36   62   63   64                                       
CONECT   23   37   65   66   67                                       
CONECT   24   34   35   38   38                                       
CONECT   25   26   27   28   35                                       
CONECT   26   25   68   69   70                                       
CONECT   27   25   71   72   73                                       
CONECT   28   25   74   75   76                                       
CONECT   29    2    4    5                                            
CONECT   30    8    9   77                                            
CONECT   31    9    9   10                                            
CONECT   32    9   12   12                                            
CONECT   33   12   15   15                                            
CONECT   34   15   24   78                                            
CONECT   35   24   25   79                                            
CONECT   36   18   22                                                 
CONECT   37   20   23                                                 
CONECT   38   24   24                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   13                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
