COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.176   0.690  -0.117  1.00  0.00           C  
HETATM    2  C   UNL     1       3.437   2.969  -0.554  1.00  0.00           C  
HETATM    3  C   UNL     1       1.907  -3.335  -0.538  1.00  0.00           C  
HETATM    4  C   UNL     1       0.972  -4.227   0.236  1.00  0.00           C  
HETATM    5  C   UNL     1       2.084   5.101  -0.581  1.00  0.00           C  
HETATM    6  C   UNL     1       2.129   3.718  -0.465  1.00  0.00           C  
HETATM    7  C   UNL     1       5.113  -1.219   1.216  1.00  0.00           C  
HETATM    8  C   UNL     1       5.027  -2.743   1.323  1.00  0.00           C  
HETATM    9  C   UNL     1       3.579  -3.223   1.263  1.00  0.00           C  
HETATM   10  C   UNL     1       3.894  -0.662   0.490  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.175  -3.146   0.550  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.580  -2.825   0.112  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.665  -2.912  -1.413  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.115  -3.167  -1.829  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.182  -1.597  -2.027  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.701   2.575   0.532  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.212  -1.092   0.289  1.00  0.00           C  
HETATM   18  C   UNL     1       1.326  -5.694  -0.018  1.00  0.00           C  
HETATM   19  C   UNL     1       4.534   3.746   0.176  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.523   1.260   0.466  1.00  0.00           C  
HETATM   21  C   UNL     1       0.888   5.755  -0.444  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.269   4.997  -0.187  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.150   3.585  -0.117  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.292   2.809   0.118  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.518   3.432   0.291  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.625   4.830   0.237  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.526   5.598  -0.002  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.655   0.296   0.691  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.858   0.714  -0.157  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.044   0.301   2.170  1.00  0.00           C  
HETATM   31  N   UNL     1       1.044   3.004  -0.259  1.00  0.00           N  
HETATM   32  N   UNL     1       2.967  -2.750   0.019  1.00  0.00           N  
HETATM   33  N   UNL     1       3.479  -1.601  -0.568  1.00  0.00           N  
HETATM   34  N   UNL     1       3.233   1.657   0.093  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.406  -3.954  -0.235  1.00  0.00           N  
HETATM   36  O   UNL     1       1.685  -3.141  -1.714  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.734  -2.694   1.585  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.954  -1.488   0.536  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.988  -1.843  -0.252  1.00  0.00           O  
HETATM   40  O   UNL     1       5.187   0.908  -0.751  1.00  0.00           O  
HETATM   41  H   UNL     1       3.715   2.828  -1.599  1.00  0.00           H  
HETATM   42  H   UNL     1       1.049  -4.008   1.301  1.00  0.00           H  
HETATM   43  H   UNL     1       2.987   5.658  -0.779  1.00  0.00           H  
HETATM   44  H   UNL     1       5.161  -0.790   2.217  1.00  0.00           H  
HETATM   45  H   UNL     1       6.014  -0.948   0.666  1.00  0.00           H  
HETATM   46  H   UNL     1       5.585  -3.190   0.501  1.00  0.00           H  
HETATM   47  H   UNL     1       5.468  -3.060   2.268  1.00  0.00           H  
HETATM   48  H   UNL     1       3.556  -4.313   1.289  1.00  0.00           H  
HETATM   49  H   UNL     1       3.028  -2.825   2.115  1.00  0.00           H  
HETATM   50  H   UNL     1       3.069  -0.564   1.205  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.267  -3.547   0.552  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.036  -3.730  -1.766  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.622  -2.215  -1.984  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.131  -3.742  -2.755  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.625  -3.727  -1.045  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.149  -1.415  -1.731  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.243  -1.659  -3.114  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.810  -0.779  -1.675  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.658   3.009   0.746  1.00  0.00           H  
HETATM   60  H   UNL     1       2.351  -5.881   0.302  1.00  0.00           H  
HETATM   61  H   UNL     1       0.647  -6.334   0.544  1.00  0.00           H  
HETATM   62  H   UNL     1       1.232  -5.911  -1.082  1.00  0.00           H  
HETATM   63  H   UNL     1       4.249   3.882   1.219  1.00  0.00           H  
HETATM   64  H   UNL     1       5.470   3.189   0.125  1.00  0.00           H  
HETATM   65  H   UNL     1       4.665   4.720  -0.296  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.534   0.880   0.236  1.00  0.00           H  
HETATM   67  H   UNL     1       0.835   6.830  -0.532  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.218   1.733   0.164  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.585   5.300   0.386  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.621   6.673  -0.050  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.579   0.708  -1.211  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.678   0.014   0.006  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.173   1.717   0.129  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.359   1.303   2.460  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.865  -0.399   2.332  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.187   0.000   2.772  1.00  0.00           H  
HETATM   77  H   UNL     1       4.251  -1.821  -1.180  1.00  0.00           H  
HETATM   78  H   UNL     1       2.456   1.488   0.648  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.745  -4.331  -1.062  1.00  0.00           H  
CONECT    1   40   40   10   34                                       
CONECT    2    6   34   19   41                                       
CONECT    3   32   36   36    4                                       
CONECT    4   35    3   18   42                                       
CONECT    5   21    6    6   43                                       
CONECT    6    5    5   31    2                                       
CONECT    7    8   10   44   45                                       
CONECT    8    9    7   46   47                                       
CONECT    9   32    8   48   49                                       
CONECT   10   33    7    1   50                                       
CONECT   11   37   37   12   35                                       
CONECT   12   13   38   11   51                                       
CONECT   13   14   15   12   52                                       
CONECT   14   13   53   54   55                                       
CONECT   15   13   56   57   58                                       
CONECT   16   20   20   25   59                                       
CONECT   17   38   28   39   39                                       
CONECT   18    4   60   61   62                                       
CONECT   19    2   63   64   65                                       
CONECT   20   28   16   16   66                                       
CONECT   21   22   22    5   67                                       
CONECT   22   27   21   21   23                                       
CONECT   23   22   24   31   31                                       
CONECT   24   25   25   23   68                                       
CONECT   25   26   16   24   24                                       
CONECT   26   27   27   25   69                                       
CONECT   27   26   26   22   70                                       
CONECT   28   29   20   17   30                                       
CONECT   29   28   71   72   73                                       
CONECT   30   28   74   75   76                                       
CONECT   31   23   23    6                                            
CONECT   32    9   33    3                                            
CONECT   33   32   10   77                                            
CONECT   34    1    2   78                                            
CONECT   35   11    4   79                                            
CONECT   36    3    3                                                 
CONECT   37   11   11                                                 
CONECT   38   12   17                                                 
CONECT   39   17   17                                                 
CONECT   40    1    1                                                 
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
