COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.761   0.662   2.898  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.957  -0.536   2.240  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.426   3.046  -0.642  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.699   4.450  -1.525  1.00  0.00           C  
HETATM    5  C   UNL     1       5.445   2.070   0.523  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.727   1.649   2.849  1.00  0.00           C  
HETATM    7  C   UNL     1       1.010  -3.520  -0.045  1.00  0.00           C  
HETATM    8  C   UNL     1       2.345  -3.180  -0.120  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.253   3.756  -0.466  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.903   1.441   2.138  1.00  0.00           C  
HETATM   11  C   UNL     1       0.067  -2.492   0.118  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.344  -2.035   0.812  1.00  0.00           C  
HETATM   13  C   UNL     1       1.787  -0.952   0.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.691  -5.057  -1.041  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.602   2.628   0.969  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.485   3.716  -2.940  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.042   3.026  -1.880  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.318   4.435  -2.761  1.00  0.00           C  
HETATM   19  C   UNL     1       5.651   0.276  -1.067  1.00  0.00           C  
HETATM   20  C   UNL     1       4.115   1.749   0.712  1.00  0.00           C  
HETATM   21  C   UNL     1       4.320  -0.041  -0.880  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.108   0.242   1.474  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.131  -0.751   1.519  1.00  0.00           C  
HETATM   24  C   UNL     1       6.216   1.336  -0.369  1.00  0.00           C  
HETATM   25  C   UNL     1       3.549   0.692   0.012  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.368  -2.801   0.198  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.327  -3.781  -0.015  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.656  -5.905  -1.355  1.00  0.00           C  
HETATM   29  C   UNL     1       8.186   0.765  -1.546  1.00  0.00           C  
HETATM   30  C   UNL     1       8.300   1.643   0.705  1.00  0.00           C  
HETATM   31  C   UNL     1       9.637   1.196  -1.775  1.00  0.00           C  
HETATM   32  C   UNL     1       9.750   2.066   0.454  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.578   3.773   0.881  1.00  0.00           C  
HETATM   34  N   UNL     1       2.697  -1.905  -0.037  1.00  0.00           N  
HETATM   35  N   UNL     1       0.496  -1.230   0.199  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.516  -2.668   0.658  1.00  0.00           N  
HETATM   37  N   UNL     1      -2.012  -3.924  -0.332  1.00  0.00           N  
HETATM   38  N   UNL     1       7.562   1.665  -0.566  1.00  0.00           N  
HETATM   39  N   UNL     1       2.201   0.367   0.204  1.00  0.00           N  
HETATM   40  N   UNL     1      -3.879   2.443   2.091  1.00  0.00           N  
HETATM   41  O   UNL     1      -4.468   1.872   0.030  1.00  0.00           O  
HETATM   42  O   UNL     1      10.331   1.199  -0.524  1.00  0.00           O  
HETATM   43  S   UNL     1      -4.141  -5.204  -0.687  1.00  0.00           S  
HETATM   44  H   UNL     1       0.149   0.826   3.457  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.202  -1.306   2.284  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.858   2.504   0.185  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.782   5.005  -1.387  1.00  0.00           H  
HETATM   48  H   UNL     1       5.884   2.895   1.065  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.569   2.584   3.366  1.00  0.00           H  
HETATM   50  H   UNL     1       0.697  -4.551  -0.114  1.00  0.00           H  
HETATM   51  H   UNL     1       3.096  -3.946  -0.244  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.670  -5.252  -1.335  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.969   3.704  -3.906  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.958   2.472  -2.018  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.890   4.985  -3.586  1.00  0.00           H  
HETATM   56  H   UNL     1       6.250  -0.294  -1.761  1.00  0.00           H  
HETATM   57  H   UNL     1       3.516   2.320   1.406  1.00  0.00           H  
HETATM   58  H   UNL     1       3.879  -0.860  -1.429  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.021   0.079   0.920  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.560  -6.830  -1.904  1.00  0.00           H  
HETATM   61  H   UNL     1       7.639   0.816  -2.487  1.00  0.00           H  
HETATM   62  H   UNL     1       8.166  -0.257  -1.168  1.00  0.00           H  
HETATM   63  H   UNL     1       8.281   0.635   1.120  1.00  0.00           H  
HETATM   64  H   UNL     1       7.837   2.335   1.408  1.00  0.00           H  
HETATM   65  H   UNL     1      10.121   0.498  -2.458  1.00  0.00           H  
HETATM   66  H   UNL     1       9.656   2.198  -2.204  1.00  0.00           H  
HETATM   67  H   UNL     1       9.773   3.092   0.090  1.00  0.00           H  
HETATM   68  H   UNL     1      10.316   1.996   1.383  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.044   4.715   1.009  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.328   3.672   1.665  1.00  0.00           H  
HETATM   71  H   UNL     1       1.556   1.065   0.400  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.034   3.005   2.866  1.00  0.00           H  
CONECT    1    6    6    2   44                                       
CONECT    2    1   23   23   45                                       
CONECT    3   17   17    9   46                                       
CONECT    4    9    9   18   47                                       
CONECT    5   20   20   24   48                                       
CONECT    6    1    1   10   49                                       
CONECT    7    8    8   11   50                                       
CONECT    8    7    7   34   51                                       
CONECT    9    3    4    4   33                                       
CONECT   10    6   40   22   22                                       
CONECT   11    7   26   35   35                                       
CONECT   12   23   36   26   26                                       
CONECT   13   34   34   35   39                                       
CONECT   14   37   28   28   52                                       
CONECT   15   41   41   33   40                                       
CONECT   16   17   18   18   53                                       
CONECT   17    3    3   16   54                                       
CONECT   18    4   16   16   55                                       
CONECT   19   21   24   24   56                                       
CONECT   20    5    5   25   57                                       
CONECT   21   19   25   25   58                                       
CONECT   22   10   10   23   59                                       
CONECT   23    2    2   12   22                                       
CONECT   24    5   19   19   38                                       
CONECT   25   20   21   21   39                                       
CONECT   26   11   12   12   37                                       
CONECT   27   36   36   37   43                                       
CONECT   28   14   14   43   60                                       
CONECT   29   38   31   61   62                                       
CONECT   30   38   32   63   64                                       
CONECT   31   29   42   65   66                                       
CONECT   32   30   42   67   68                                       
CONECT   33    9   15   69   70                                       
CONECT   34    8   13   13                                            
CONECT   35   11   11   13                                            
CONECT   36   12   27   27                                            
CONECT   37   14   26   27                                            
CONECT   38   24   29   30                                            
CONECT   39   13   25   71                                            
CONECT   40   10   15   72                                            
CONECT   41   15   15                                                 
CONECT   42   31   32                                                 
CONECT   43   27   28                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
