COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.044   2.430  -2.143  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.767   1.295  -2.466  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.776   2.316  -1.613  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.223   0.040  -2.259  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.748  -3.323  -1.222  1.00  0.00           C  
HETATM    6  C   UNL     1       0.554   3.880   1.530  1.00  0.00           C  
HETATM    7  C   UNL     1       1.482   3.917  -0.679  1.00  0.00           C  
HETATM    8  C   UNL     1       0.615  -3.164  -1.412  1.00  0.00           C  
HETATM    9  C   UNL     1       1.074   5.137   1.772  1.00  0.00           C  
HETATM   10  C   UNL     1       2.003   5.174  -0.442  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.222   1.053  -1.402  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.557  -2.360   0.971  1.00  0.00           C  
HETATM   13  C   UNL     1       0.758   3.270   0.305  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.956  -0.088  -1.729  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.337  -2.925  -0.042  1.00  0.00           C  
HETATM   16  C   UNL     1       1.401  -2.604  -0.418  1.00  0.00           C  
HETATM   17  C   UNL     1       0.822  -2.200   0.779  1.00  0.00           C  
HETATM   18  C   UNL     1       1.800   5.788   0.785  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.807  -1.397   2.459  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.069  -2.198   1.730  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.863   0.924  -0.834  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.183  -1.933   2.236  1.00  0.00           C  
HETATM   23  C   UNL     1       7.021  -2.359  -1.089  1.00  0.00           C  
HETATM   24  C   UNL     1       2.869  -1.167   1.398  1.00  0.00           C  
HETATM   25  C   UNL     1       3.551  -2.230   0.526  1.00  0.00           C  
HETATM   26  C   UNL     1       3.048   7.635  -0.041  1.00  0.00           C  
HETATM   27  C   UNL     1       0.190   1.899   0.044  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.365  -1.456  -1.504  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.821  -3.100   0.156  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.924  -1.951   0.251  1.00  0.00           C  
HETATM   31  C   UNL     1       5.659  -2.846  -0.666  1.00  0.00           C  
HETATM   32  C   UNL     1       4.934  -1.735   0.097  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.156   2.027  -0.519  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.501  -1.821  -0.087  1.00  0.00           N1+
HETATM   35  O   UNL     1      -1.561  -0.651   2.402  1.00  0.00           O  
HETATM   36  O   UNL     1       7.840  -3.169  -1.777  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.383  -0.178  -0.651  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.357  -2.738   3.129  1.00  0.00           O  
HETATM   39  O   UNL     1       7.376  -1.238  -0.808  1.00  0.00           O  
HETATM   40  O   UNL     1       1.575  -1.655   1.769  1.00  0.00           O  
HETATM   41  O   UNL     1       2.737  -2.451  -0.631  1.00  0.00           O  
HETATM   42  O   UNL     1       2.311   7.025   1.021  1.00  0.00           O  
HETATM   43  H   UNL     1      -5.472   3.407  -2.311  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.759   1.389  -2.881  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.213   3.203  -1.362  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.793  -0.843  -2.513  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.353  -3.757  -2.005  1.00  0.00           H  
HETATM   48  H   UNL     1       1.067  -3.480  -2.341  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.007   3.371   2.299  1.00  0.00           H  
HETATM   50  H   UNL     1       0.914   5.612   2.728  1.00  0.00           H  
HETATM   51  H   UNL     1       1.639   3.439  -1.635  1.00  0.00           H  
HETATM   52  H   UNL     1       2.569   5.679  -1.212  1.00  0.00           H  
HETATM   53  H   UNL     1       0.830   1.370  -0.662  1.00  0.00           H  
HETATM   54  H   UNL     1       0.142   1.342   0.979  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.893  -2.185  -2.119  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.310  -1.446  -1.777  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.195  -3.849  -0.541  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.015  -3.426   1.178  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.312  -0.561   1.999  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.910  -1.574   3.520  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.564  -3.035   2.190  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.354  -2.788  -0.301  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.447  -1.033  -0.017  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.539   2.906  -0.665  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.967  -0.419   3.248  1.00  0.00           H  
HETATM   66  H   UNL     1       5.080  -3.117  -1.549  1.00  0.00           H  
HETATM   67  H   UNL     1       5.769  -3.718  -0.022  1.00  0.00           H  
HETATM   68  H   UNL     1       8.703  -2.812  -2.026  1.00  0.00           H  
HETATM   69  H   UNL     1       3.465  -0.989   2.294  1.00  0.00           H  
HETATM   70  H   UNL     1       2.766  -0.240   0.835  1.00  0.00           H  
HETATM   71  H   UNL     1       3.651  -3.158   1.089  1.00  0.00           H  
HETATM   72  H   UNL     1       4.824  -0.863  -0.547  1.00  0.00           H  
HETATM   73  H   UNL     1       5.513  -1.464   0.980  1.00  0.00           H  
HETATM   74  H   UNL     1       3.903   7.009  -0.297  1.00  0.00           H  
HETATM   75  H   UNL     1       2.404   7.746  -0.913  1.00  0.00           H  
HETATM   76  H   UNL     1       3.400   8.616   0.279  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.083  -1.103   0.486  1.00  0.00           H  
CONECT    1    2    3    3   43                                       
CONECT    2    1    4    4   44                                       
CONECT    3    1    1   11   45                                       
CONECT    4    2    2   14   46                                       
CONECT    5    8   15   15   47                                       
CONECT    6    9   13   13   49                                       
CONECT    7   10   10   13   51                                       
CONECT    8    5   16   16   48                                       
CONECT    9    6   18   18   50                                       
CONECT   10    7    7   18   52                                       
CONECT   11    3   14   14   21                                       
CONECT   12   15   17   17   22                                       
CONECT   13    6    6    7   27                                       
CONECT   14    4   11   11   28                                       
CONECT   15    5    5   12   29                                       
CONECT   16    8    8   17   41                                       
CONECT   17   12   12   16   40                                       
CONECT   18    9    9   10   42                                       
CONECT   19   20   20   59   60                                       
CONECT   20   19   19   30   61                                       
CONECT   21   11   33   37   37                                       
CONECT   22   12   35   38   38                                       
CONECT   23   31   36   39   39                                       
CONECT   24   25   40   69   70                                       
CONECT   25   24   32   41   71                                       
CONECT   26   42   74   75   76                                       
CONECT   27   13   33   53   54                                       
CONECT   28   14   34   55   56                                       
CONECT   29   15   34   57   58                                       
CONECT   30   20   34   62   63                                       
CONECT   31   23   32   66   67                                       
CONECT   32   25   31   72   73                                       
CONECT   33   21   27   64                                            
CONECT   34   28   29   30   77                                       
CONECT   35   22   65                                                 
CONECT   36   23   68                                                 
CONECT   37   21   21                                                 
CONECT   38   22   22                                                 
CONECT   39   23   23                                                 
CONECT   40   17   24                                                 
CONECT   41   16   25                                                 
CONECT   42   18   26                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    6                                                      
CONECT   50    9                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   36                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   34                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
