COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.724  -2.770  -0.283  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.642  -1.548  -0.340  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.768  -0.559   0.434  1.00  0.00           C  
HETATM    4  C   UNL     1       3.981  -0.874  -0.311  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.782   1.880   0.342  1.00  0.00           C  
HETATM    6  C   UNL     1       0.508   2.262   1.070  1.00  0.00           C  
HETATM    7  C   UNL     1       0.772   1.265   2.203  1.00  0.00           C  
HETATM    8  C   UNL     1       2.021   1.700   2.974  1.00  0.00           C  
HETATM    9  C   UNL     1       1.630   4.009   2.456  1.00  0.00           C  
HETATM   10  C   UNL     1       2.528  -1.171  -0.238  1.00  0.00           C  
HETATM   11  C   UNL     1       2.085  -2.487  -0.351  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.804   2.533  -1.017  1.00  0.00           C  
HETATM   13  C   UNL     1       4.798  -2.077   1.809  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.979  -2.280   0.114  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.319  -0.947   0.286  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.344   0.027   0.323  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.005  -0.323   0.188  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.662  -1.674   0.013  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.658  -2.648  -0.023  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.842   0.425   0.185  1.00  0.00           N  
HETATM   21  C   UNL     1       0.257  -0.399   0.014  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.195  -1.722  -0.100  1.00  0.00           C  
HETATM   23  C   UNL     1       1.620  -0.133  -0.056  1.00  0.00           C  
HETATM   24  C   UNL     1       0.249  -4.161  -0.408  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.964   0.758  -0.086  1.00  0.00           O  
HETATM   26  O   UNL     1       1.833   3.026   3.474  1.00  0.00           O  
HETATM   27  C   UNL     1       0.365   3.667   1.664  1.00  0.00           C  
HETATM   28  N   UNL     1       0.839  -4.999  -1.283  1.00  0.00           N  
HETATM   29  O   UNL     1      -0.676  -4.552   0.278  1.00  0.00           O  
HETATM   30  C   UNL     1       4.964  -1.254   0.558  1.00  0.00           C  
HETATM   31  O   UNL     1       6.108  -0.750   0.073  1.00  0.00           O  
HETATM   32  N   UNL     1       5.929  -0.133  -0.950  1.00  0.00           N  
HETATM   33  C   UNL     1       4.677  -0.132  -1.305  1.00  0.00           C  
HETATM   34  C   UNL     1       4.083   0.533  -2.520  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.761   3.486  -1.310  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.782   4.084  -2.556  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.845   3.729  -3.509  1.00  0.00           C  
HETATM   38  C   UNL     1       0.112   2.776  -3.215  1.00  0.00           C  
HETATM   39  C   UNL     1       0.136   2.182  -1.967  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.155  -0.586   1.914  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.366  -1.528  -1.395  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.493  -2.552   0.056  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.690  -1.267  -0.234  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.640   2.219   0.922  1.00  0.00           H  
HETATM   45  H   UNL     1       1.342   2.245   0.368  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.084   1.245   2.877  1.00  0.00           H  
HETATM   47  H   UNL     1       0.930   0.271   1.784  1.00  0.00           H  
HETATM   48  H   UNL     1       2.188   1.018   3.808  1.00  0.00           H  
HETATM   49  H   UNL     1       2.884   1.681   2.309  1.00  0.00           H  
HETATM   50  H   UNL     1       1.516   4.990   2.917  1.00  0.00           H  
HETATM   51  H   UNL     1       2.488   4.020   1.785  1.00  0.00           H  
HETATM   52  H   UNL     1       2.797  -3.287  -0.491  1.00  0.00           H  
HETATM   53  H   UNL     1       4.906  -3.134   1.567  1.00  0.00           H  
HETATM   54  H   UNL     1       5.558  -1.791   2.536  1.00  0.00           H  
HETATM   55  H   UNL     1       3.808  -1.900   2.231  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.753  -3.033   0.087  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.621   1.062   0.458  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.396  -3.687  -0.157  1.00  0.00           H  
HETATM   59  H   UNL     1       1.974   0.883   0.030  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.439   1.438   0.359  1.00  0.00           H  
HETATM   61  H   UNL     1       0.233   4.391   0.860  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.499   3.695   2.327  1.00  0.00           H  
HETATM   63  H   UNL     1       1.577  -4.688  -1.831  1.00  0.00           H  
HETATM   64  H   UNL     1       0.526  -5.914  -1.366  1.00  0.00           H  
HETATM   65  H   UNL     1       4.093  -0.165  -3.357  1.00  0.00           H  
HETATM   66  H   UNL     1       3.056   0.828  -2.306  1.00  0.00           H  
HETATM   67  H   UNL     1       4.669   1.416  -2.775  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.493   3.764  -0.565  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.530   4.829  -2.785  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.864   4.193  -4.484  1.00  0.00           H  
HETATM   71  H   UNL     1       0.843   2.498  -3.960  1.00  0.00           H  
HETATM   72  H   UNL     1       0.884   1.437  -1.738  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.006  -1.591   2.310  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.532   0.118   2.465  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.203  -0.306   2.020  1.00  0.00           H  
CONECT    1   24   11   22   22                                       
CONECT    2    3   41   42   43                                       
CONECT    3   15   40    2   25                                       
CONECT    4   33   30   30   10                                       
CONECT    5   20   12    6   44                                       
CONECT    6    5    7   27   45                                       
CONECT    7    6    8   46   47                                       
CONECT    8    7   26   48   49                                       
CONECT    9   27   26   50   51                                       
CONECT   10    4   11   11   23                                       
CONECT   11   10   10    1   52                                       
CONECT   12   39   39   35    5                                       
CONECT   13   30   53   54   55                                       
CONECT   14   19   15   15   56                                       
CONECT   15   14   14   16    3                                       
CONECT   16   17   17   15   57                                       
CONECT   17   18   20   16   16                                       
CONECT   18   22   19   19   17                                       
CONECT   19   18   18   14   58                                       
CONECT   20   21   17    5                                            
CONECT   21   23   23   22   20                                       
CONECT   22    1    1   21   18                                       
CONECT   23   10   21   21   59                                       
CONECT   24   28   29   29    1                                       
CONECT   25    3   60                                                 
CONECT   26    8    9                                                 
CONECT   27    6    9   61   62                                       
CONECT   28   24   63   64                                            
CONECT   29   24   24                                                 
CONECT   30   31   13    4    4                                       
CONECT   31   32   30                                                 
CONECT   32   31   33   33                                            
CONECT   33   32   32   34    4                                       
CONECT   34   33   65   66   67                                       
CONECT   35   36   36   12   68                                       
CONECT   36   37   35   35   69                                       
CONECT   37   38   38   36   70                                       
CONECT   38   37   37   39   71                                       
CONECT   39   38   12   12   72                                       
CONECT   40    3   73   74   75                                       
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
