COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.518   6.091   1.189  1.00  0.00           C  
HETATM    2  C   UNL     1       1.456   3.961  -0.040  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.785   4.092   0.089  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.637   4.426  -0.972  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.386   5.582  -0.890  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.121   7.584   0.209  1.00  0.00           C  
HETATM    7  C   UNL     1       0.108   4.219  -0.012  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.564   2.986   0.011  1.00  0.00           C  
HETATM    9  C   UNL     1       1.626   2.567  -0.034  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.734   4.956   1.192  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.307   6.367   0.167  1.00  0.00           N1+
HETATM   12  N   UNL     1       0.381   1.989  -0.004  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.065   0.394   0.018  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.381  -1.990   0.001  1.00  0.00           N  
HETATM   15  N   UNL     1       2.066  -0.394  -0.021  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.961   2.859   0.047  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.613   1.608   0.040  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.564  -4.384   0.980  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.030   1.458   0.053  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.102  -2.777  -0.029  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.973  -2.751  -1.126  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.097  -3.549  -1.105  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.563  -5.159  -0.096  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.284   0.130   0.036  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.023  -0.532   0.014  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.417  -3.620   1.045  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.357  -4.328  -0.072  1.00  0.00           N1+
HETATM   28  C   UNL     1      -2.879  -1.936  -0.005  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.627  -2.568   0.002  1.00  0.00           C  
HETATM   30  C   UNL     1       3.550  -6.125  -0.985  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.456  -3.962   0.013  1.00  0.00           C  
HETATM   32  C   UNL     1       2.787  -4.093   0.029  1.00  0.00           C  
HETATM   33  C   UNL     1       3.609  -4.392   1.124  1.00  0.00           C  
HETATM   34  C   UNL     1       4.359  -5.549   1.100  1.00  0.00           C  
HETATM   35  C   UNL     1       5.125  -7.585   0.086  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.108  -4.219   0.018  1.00  0.00           C  
HETATM   37  C   UNL     1       0.564  -2.986   0.010  1.00  0.00           C  
HETATM   38  C   UNL     1       2.767  -4.991  -1.046  1.00  0.00           C  
HETATM   39  N   UNL     1       4.310  -6.367   0.066  1.00  0.00           N1+
HETATM   40  C   UNL     1       1.961  -2.860   0.009  1.00  0.00           C  
HETATM   41  C   UNL     1       2.614  -1.609  -0.012  1.00  0.00           C  
HETATM   42  C   UNL     1       5.528   4.358  -1.185  1.00  0.00           C  
HETATM   43  C   UNL     1       4.030  -1.459  -0.028  1.00  0.00           C  
HETATM   44  C   UNL     1       4.100   2.778  -0.089  1.00  0.00           C  
HETATM   45  C   UNL     1       5.005   2.781   0.981  1.00  0.00           C  
HETATM   46  C   UNL     1       6.127   3.579   0.904  1.00  0.00           C  
HETATM   47  C   UNL     1       7.560   5.161  -0.192  1.00  0.00           C  
HETATM   48  C   UNL     1       4.284  -0.131  -0.047  1.00  0.00           C  
HETATM   49  C   UNL     1       3.024   0.532  -0.042  1.00  0.00           C  
HETATM   50  C   UNL     1       4.381   3.592  -1.194  1.00  0.00           C  
HETATM   51  C   UNL     1       2.879   1.935  -0.053  1.00  0.00           C  
HETATM   52  N   UNL     1       6.354   4.331  -0.156  1.00  0.00           N1+
HETATM   53  H   UNL     1      -3.490   6.760   2.036  1.00  0.00           H  
HETATM   54  H   UNL     1       2.244   4.699  -0.067  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.706   3.789  -1.841  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.045   5.848  -1.703  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.561   8.411  -0.227  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.038   7.427  -0.358  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.370   7.819   1.244  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.353   5.195  -0.008  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.091   4.736   2.031  1.00  0.00           H  
HETATM   62  H   UNL     1       0.199   1.036   0.004  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.199  -1.037  -0.005  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.813  -5.040   1.801  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.761   2.252   0.073  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.767  -2.115  -1.974  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.775  -3.536  -1.946  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.395  -4.604   0.339  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.802  -5.423  -1.126  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.391  -6.067   0.482  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.257  -0.339   0.039  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.773  -3.670   1.911  1.00  0.00           H  
HETATM   73  H   UNL     1       3.538  -6.825  -1.806  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.245  -4.700   0.016  1.00  0.00           H  
HETATM   75  H   UNL     1       3.655  -3.726   1.973  1.00  0.00           H  
HETATM   76  H   UNL     1       4.996  -5.788   1.939  1.00  0.00           H  
HETATM   77  H   UNL     1       6.101  -7.375  -0.351  1.00  0.00           H  
HETATM   78  H   UNL     1       5.252  -7.920   1.115  1.00  0.00           H  
HETATM   79  H   UNL     1       4.628  -8.364  -0.491  1.00  0.00           H  
HETATM   80  H   UNL     1       0.354  -5.196   0.027  1.00  0.00           H  
HETATM   81  H   UNL     1       2.147  -4.799  -1.910  1.00  0.00           H  
HETATM   82  H   UNL     1       5.756   4.985  -2.034  1.00  0.00           H  
HETATM   83  H   UNL     1       4.761  -2.254  -0.026  1.00  0.00           H  
HETATM   84  H   UNL     1       4.826   2.168   1.852  1.00  0.00           H  
HETATM   85  H   UNL     1       6.831   3.588   1.724  1.00  0.00           H  
HETATM   86  H   UNL     1       7.340   6.140   0.236  1.00  0.00           H  
HETATM   87  H   UNL     1       8.349   4.681   0.387  1.00  0.00           H  
HETATM   88  H   UNL     1       7.887   5.282  -1.224  1.00  0.00           H  
HETATM   89  H   UNL     1       5.257   0.337  -0.064  1.00  0.00           H  
HETATM   90  H   UNL     1       3.710   3.620  -2.040  1.00  0.00           H  
CONECT    1   10   10   11   53                                       
CONECT    2    7    7    9   54                                       
CONECT    3    4    4   10   16                                       
CONECT    4    3    3    5   55                                       
CONECT    5    4   11   11   56                                       
CONECT    6   11   57   58   59                                       
CONECT    7    2    2    8   60                                       
CONECT    8    7   12   16   16                                       
CONECT    9    2   12   51   51                                       
CONECT   10    1    1    3   61                                       
CONECT   11    1    5    5    6                                       
CONECT   12    8    9   62                                            
CONECT   13   17   17   25                                            
CONECT   14   29   37   63                                            
CONECT   15   41   49   49                                            
CONECT   16    3    8    8   17                                       
CONECT   17   13   13   16   19                                       
CONECT   18   26   26   27   64                                       
CONECT   19   17   24   24   65                                       
CONECT   20   21   21   26   28                                       
CONECT   21   20   20   22   66                                       
CONECT   22   21   27   27   67                                       
CONECT   23   27   68   69   70                                       
CONECT   24   19   19   25   71                                       
CONECT   25   13   24   28   28                                       
CONECT   26   18   18   20   72                                       
CONECT   27   18   22   22   23                                       
CONECT   28   20   25   25   29                                       
CONECT   29   14   28   31   31                                       
CONECT   30   38   38   39   73                                       
CONECT   31   29   29   36   74                                       
CONECT   32   33   33   38   40                                       
CONECT   33   32   32   34   75                                       
CONECT   34   33   39   39   76                                       
CONECT   35   39   77   78   79                                       
CONECT   36   31   37   37   80                                       
CONECT   37   14   36   36   40                                       
CONECT   38   30   30   32   81                                       
CONECT   39   30   34   34   35                                       
CONECT   40   32   37   41   41                                       
CONECT   41   15   40   40   43                                       
CONECT   42   50   52   52   82                                       
CONECT   43   41   48   48   83                                       
CONECT   44   45   50   50   51                                       
CONECT   45   44   46   46   84                                       
CONECT   46   45   45   52   85                                       
CONECT   47   52   86   87   88                                       
CONECT   48   43   43   49   89                                       
CONECT   49   15   15   48   51                                       
CONECT   50   42   44   44   90                                       
CONECT   51    9    9   44   49                                       
CONECT   52   42   42   46   47                                       
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   26                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   38                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
CONECT   90   50                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
