COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.684  -2.497  -2.316  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.576  -1.972  -0.610  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.434  -1.515   0.022  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.103  -0.174  -0.034  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.858   0.324   0.654  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.415   1.403  -1.132  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.553   2.401  -0.356  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.231   0.958   1.802  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.238   1.082   1.109  1.00  0.00           C  
HETATM   10  O   UNL     1       1.810   4.381  -2.742  1.00  0.00           O1-
HETATM   11  O   UNL     1       2.790   5.919  -1.681  1.00  0.00           O  
HETATM   12  C   UNL     1       1.758   2.694  -0.528  1.00  0.00           C  
HETATM   13  C   UNL     1       2.311   3.960  -0.495  1.00  0.00           C  
HETATM   14  C   UNL     1       2.871   4.439   0.675  1.00  0.00           C  
HETATM   15  C   UNL     1       2.878   3.652   1.811  1.00  0.00           C  
HETATM   16  C   UNL     1       2.324   2.385   1.778  1.00  0.00           C  
HETATM   17  C   UNL     1       1.759   1.908   0.610  1.00  0.00           C  
HETATM   18  C   UNL     1       5.293  -2.849  -0.413  1.00  0.00           C  
HETATM   19  C   UNL     1       5.182  -4.490  -2.288  1.00  0.00           C  
HETATM   20  C   UNL     1       4.366  -3.531  -1.419  1.00  0.00           C  
HETATM   21  C   UNL     1       3.268  -2.035   2.518  1.00  0.00           C  
HETATM   22  C   UNL     1       2.194  -1.038   2.165  1.00  0.00           C  
HETATM   23  N   UNL     1       1.215  -0.728   3.099  1.00  0.00           N  
HETATM   24  C   UNL     1       0.054  -0.129   2.701  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.148  -0.149   3.609  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.023   0.479   1.502  1.00  0.00           C  
HETATM   27  C   UNL     1       1.157   0.528   0.573  1.00  0.00           C  
HETATM   28  C   UNL     1       2.201  -0.473   0.979  1.00  0.00           C  
HETATM   29  P   UNL     1       3.502  -0.919  -0.204  1.00  0.00           P  
HETATM   30  O   UNL     1       4.254   0.288  -0.614  1.00  0.00           O  
HETATM   31  O   UNL     1       2.852  -1.647  -1.504  1.00  0.00           O  
HETATM   32  C   UNL     1       3.297  -4.324  -0.663  1.00  0.00           C  
HETATM   33  O   UNL     1       4.509  -2.011   0.455  1.00  0.00           O  
HETATM   34  N   UNL     1       2.303   4.803  -1.711  1.00  0.00           N1+
HETATM   35  O   UNL     1      -1.298   1.797  -0.034  1.00  0.00           O  
HETATM   36  N   UNL     1      -3.727   0.257  -0.274  1.00  0.00           N  
HETATM   37  C   UNL     1      -8.386  -1.087  -1.298  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.057   0.254  -1.349  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.913   0.710  -0.722  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.945  -0.899  -0.341  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.891  -0.975  -1.242  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.120  -2.119  -1.305  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.397  -3.188  -0.473  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.446  -3.116   0.425  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.218  -1.972   0.497  1.00  0.00           C  
HETATM   46  H   UNL     1       4.441  -1.894  -2.817  1.00  0.00           H  
HETATM   47  H   UNL     1       3.072  -3.006  -3.060  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.833  -3.020  -0.570  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.801  -2.205   0.559  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.007   1.356   0.972  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.651  -0.298   1.525  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.341   1.887  -1.443  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.871   1.060  -2.012  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.383   3.287  -0.969  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.065   2.687   0.562  1.00  0.00           H  
HETATM   56  H   UNL     1       1.321   2.320  -1.442  1.00  0.00           H  
HETATM   57  H   UNL     1       3.303   5.429   0.701  1.00  0.00           H  
HETATM   58  H   UNL     1       3.316   4.025   2.725  1.00  0.00           H  
HETATM   59  H   UNL     1       2.330   1.770   2.665  1.00  0.00           H  
HETATM   60  H   UNL     1       5.808  -3.606   0.179  1.00  0.00           H  
HETATM   61  H   UNL     1       6.025  -2.242  -0.945  1.00  0.00           H  
HETATM   62  H   UNL     1       5.938  -3.929  -2.837  1.00  0.00           H  
HETATM   63  H   UNL     1       5.670  -5.230  -1.653  1.00  0.00           H  
HETATM   64  H   UNL     1       4.521  -4.995  -2.992  1.00  0.00           H  
HETATM   65  H   UNL     1       3.109  -2.395   3.535  1.00  0.00           H  
HETATM   66  H   UNL     1       3.227  -2.875   1.824  1.00  0.00           H  
HETATM   67  H   UNL     1       4.245  -1.556   2.451  1.00  0.00           H  
HETATM   68  H   UNL     1       1.356  -0.936   4.036  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.900  -0.680   4.528  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.440   0.873   3.848  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.974  -0.655   3.108  1.00  0.00           H  
HETATM   72  H   UNL     1       0.824   0.309  -0.442  1.00  0.00           H  
HETATM   73  H   UNL     1       2.647  -4.830  -1.377  1.00  0.00           H  
HETATM   74  H   UNL     1       3.779  -5.063  -0.023  1.00  0.00           H  
HETATM   75  H   UNL     1       2.705  -3.643  -0.051  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.276  -1.445  -1.795  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.690   0.945  -1.886  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.654   1.758  -0.766  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.674  -0.140  -1.892  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.300  -2.179  -2.005  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.793  -4.082  -0.525  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.660  -3.953   1.073  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.037  -1.916   1.199  1.00  0.00           H  
CONECT    1   31   20   46   47                                       
CONECT    2    3    3   37   48                                       
CONECT    3    2    2    4   49                                       
CONECT    4    3    5   39   39                                       
CONECT    5    4   36   50   51                                       
CONECT    6    7   36   52   53                                       
CONECT    7   35    6   54   55                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   35   26                                       
CONECT   10   34                                                      
CONECT   11   34   34                                                 
CONECT   12   13   13   17   56                                       
CONECT   13   14   34   12   12                                       
CONECT   14   15   15   13   57                                       
CONECT   15   14   14   16   58                                       
CONECT   16   15   17   17   59                                       
CONECT   17   16   16   12   27                                       
CONECT   18   33   20   60   61                                       
CONECT   19   20   62   63   64                                       
CONECT   20   32    1   18   19                                       
CONECT   21   22   65   66   67                                       
CONECT   22   23   28   28   21                                       
CONECT   23   24   22   68                                            
CONECT   24   25   26   26   23                                       
CONECT   25   24   69   70   71                                       
CONECT   26    9   24   24   27                                       
CONECT   27   26   17   28   72                                       
CONECT   28   27   22   22   29                                       
CONECT   29   28   31   33   30                                       
CONECT   29   30                                                      
CONECT   30   29   29                                                 
CONECT   31   29    1                                                 
CONECT   32   20   73   74   75                                       
CONECT   33   29   18                                                 
CONECT   34   10   13   11   11                                       
CONECT   35    7    9                                                 
CONECT   36    6    5   40                                            
CONECT   37    2   38   38   76                                       
CONECT   38   37   37   39   77                                       
CONECT   39    4    4   38   78                                       
CONECT   40   36   45   41   41                                       
CONECT   41   40   40   42   79                                       
CONECT   42   43   43   41   80                                       
CONECT   43   44   42   42   81                                       
CONECT   44   45   45   43   82                                       
CONECT   45   44   44   40   83                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
