COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.016   3.894   3.622  1.00  0.00           C  
HETATM    2  C   UNL     1       5.302  -4.304   0.628  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.225   2.528   3.689  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.234   4.576   2.438  1.00  0.00           C  
HETATM    5  C   UNL     1       6.347  -3.553   1.132  1.00  0.00           C  
HETATM    6  C   UNL     1       4.080  -3.707   0.377  1.00  0.00           C  
HETATM    7  C   UNL     1       8.272   2.276  -1.684  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.978   0.226  -3.730  1.00  0.00           C  
HETATM    9  C   UNL     1       8.529   1.613  -0.493  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.471  -0.970  -3.241  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.647   1.836   2.573  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.663   3.896   1.316  1.00  0.00           C  
HETATM   13  C   UNL     1       1.855   0.428  -1.781  1.00  0.00           C  
HETATM   14  C   UNL     1       1.969   0.673   0.621  1.00  0.00           C  
HETATM   15  C   UNL     1       6.170  -2.206   1.388  1.00  0.00           C  
HETATM   16  C   UNL     1       3.903  -2.361   0.633  1.00  0.00           C  
HETATM   17  C   UNL     1       6.990   2.356  -2.177  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.860   1.380  -3.009  1.00  0.00           C  
HETATM   19  C   UNL     1       7.502   1.024   0.215  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.842  -1.013  -2.015  1.00  0.00           C  
HETATM   21  C   UNL     1       0.511   0.142  -1.683  1.00  0.00           C  
HETATM   22  C   UNL     1       0.626   0.381   0.710  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.864   2.516   1.374  1.00  0.00           C  
HETATM   24  C   UNL     1       2.596   0.693  -0.627  1.00  0.00           C  
HETATM   25  C   UNL     1       4.948  -1.610   1.138  1.00  0.00           C  
HETATM   26  C   UNL     1       5.937   1.761  -1.475  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.221   1.361  -1.765  1.00  0.00           C  
HETATM   28  C   UNL     1       6.203   1.095  -0.266  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.716   0.147  -1.265  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.108   0.117  -0.440  1.00  0.00           C  
HETATM   31  C   UNL     1       4.039   0.995  -0.726  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.323   1.781   0.175  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.862  -2.905   1.188  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.144  -2.320   0.367  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.084  -4.331   0.680  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.300  -3.763  -0.118  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.665  -1.929   0.324  1.00  0.00           C  
HETATM   38  C   UNL     1       4.755  -0.141   1.418  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.006  -0.173   0.962  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.495  -0.508   0.865  1.00  0.00           C  
HETATM   41  N   UNL     1       4.603   1.670  -1.698  1.00  0.00           N  
HETATM   42  N   UNL     1      -4.956   2.316  -0.840  1.00  0.00           N  
HETATM   43  N   UNL     1       4.986   0.624   0.190  1.00  0.00           N  
HETATM   44  N   UNL     1      -4.151   0.440  -0.039  1.00  0.00           N  
HETATM   45  N   UNL     1      -4.514  -4.657   0.741  1.00  0.00           N  
HETATM   46  O   UNL     1      -1.433  -0.164  -0.348  1.00  0.00           O  
HETATM   47  H   UNL     1      -2.685   4.431   4.498  1.00  0.00           H  
HETATM   48  H   UNL     1       5.442  -5.355   0.424  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.056   2.003   4.617  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.070   5.642   2.391  1.00  0.00           H  
HETATM   51  H   UNL     1       7.301  -4.018   1.329  1.00  0.00           H  
HETATM   52  H   UNL     1       3.264  -4.294  -0.018  1.00  0.00           H  
HETATM   53  H   UNL     1       9.085   2.737  -2.227  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.469   0.245  -4.692  1.00  0.00           H  
HETATM   55  H   UNL     1       9.540   1.557  -0.117  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.570  -1.873  -3.826  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.810   0.770   2.627  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.833   4.429   0.392  1.00  0.00           H  
HETATM   59  H   UNL     1       2.336   0.443  -2.747  1.00  0.00           H  
HETATM   60  H   UNL     1       2.539   0.878   1.515  1.00  0.00           H  
HETATM   61  H   UNL     1       6.986  -1.619   1.783  1.00  0.00           H  
HETATM   62  H   UNL     1       2.948  -1.895   0.438  1.00  0.00           H  
HETATM   63  H   UNL     1       6.797   2.878  -3.103  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.258   2.305  -3.398  1.00  0.00           H  
HETATM   65  H   UNL     1       7.709   0.513   1.144  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.450  -1.947  -1.639  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.063  -0.063  -2.575  1.00  0.00           H  
HETATM   68  H   UNL     1       0.140   0.365   1.675  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.194  -2.832   2.224  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.802  -2.658   1.128  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.716  -1.655  -0.281  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.513  -2.238   1.389  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.738  -4.407  -0.351  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.525  -5.030   1.302  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.351  -4.049  -0.075  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.944  -3.841  -1.146  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.306  -1.973  -0.705  1.00  0.00           H  
HETATM   78  H   UNL     1       3.737   0.031   1.767  1.00  0.00           H  
HETATM   79  H   UNL     1       5.461   0.179   2.184  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.883   0.809   1.418  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.503  -0.923   1.572  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.948  -0.439   1.854  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.850  -4.632   1.692  1.00  0.00           H  
CONECT    1    4    3    3   47                                       
CONECT    2    6    6    5   48                                       
CONECT    3    1    1   11   49                                       
CONECT    4   12   12    1   50                                       
CONECT    5    2   15   15   51                                       
CONECT    6    2    2   16   52                                       
CONECT    7    9    9   17   53                                       
CONECT    8   18   10   10   54                                       
CONECT    9   19    7    7   55                                       
CONECT   10    8    8   20   56                                       
CONECT   11   23   23    3   57                                       
CONECT   12    4    4   23   58                                       
CONECT   13   21   24   24   59                                       
CONECT   14   22   22   24   60                                       
CONECT   15    5    5   25   61                                       
CONECT   16    6   25   25   62                                       
CONECT   17   26   26    7   63                                       
CONECT   18   27   27    8   64                                       
CONECT   19   28   28    9   65                                       
CONECT   20   29   29   10   66                                       
CONECT   21   30   30   13   67                                       
CONECT   22   30   14   14   68                                       
CONECT   23   12   32   11   11                                       
CONECT   24   13   13   14   31                                       
CONECT   25   16   16   15   38                                       
CONECT   26   28   41   17   17                                       
CONECT   27   42   18   18   29                                       
CONECT   28   43   19   19   26                                       
CONECT   29   27   44   20   20                                       
CONECT   30   46   21   21   22                                       
CONECT   31   43   24   41   41                                       
CONECT   32   42   42   23   44                                       
CONECT   33   37   35   69   70                                       
CONECT   34   36   37   71   72                                       
CONECT   35   45   33   73   74                                       
CONECT   36   34   45   75   76                                       
CONECT   37   34   40   33   77                                       
CONECT   38   25   43   78   79                                       
CONECT   39   40   46   80   81                                       
CONECT   40   44   37   39   82                                       
CONECT   41   31   31   26                                            
CONECT   42   27   32   32                                            
CONECT   43   38   28   31                                            
CONECT   44   32   29   40                                            
CONECT   45   36   35   83                                            
CONECT   46   39   30                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   45                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
