COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.254  -1.582   0.068  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.714  -2.028   1.264  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.391  -1.740   1.562  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.124  -0.605  -0.429  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.444  -0.858  -0.793  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.686  -1.882  -0.290  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.246   0.168  -1.338  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.128   0.087   0.177  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.292   1.323  -0.203  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.840   1.131  -1.628  1.00  0.00           C  
HETATM   11  C   UNL     1       1.195   1.108  -0.090  1.00  0.00           C  
HETATM   12  C   UNL     1       1.743  -0.114  -0.434  1.00  0.00           C  
HETATM   13  C   UNL     1       3.107  -0.317  -0.332  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.679   0.578  -2.397  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.646  -1.051   0.727  1.00  0.00           N  
HETATM   16  O   UNL     1      -8.529  -0.836   0.198  1.00  0.00           O  
HETATM   17  C   UNL     1      -9.916  -1.025  -0.090  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.718   0.148   0.476  1.00  0.00           C  
HETATM   19  O   UNL     1     -10.351   1.350  -0.204  1.00  0.00           O  
HETATM   20  C   UNL     1     -12.213  -0.113   0.278  1.00  0.00           C  
HETATM   21  O   UNL     1     -12.966   0.924   0.909  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.968   0.417  -0.991  1.00  0.00           N  
HETATM   23  C   UNL     1       2.009   2.135   0.351  1.00  0.00           C  
HETATM   24  C   UNL     1       3.377   1.938   0.455  1.00  0.00           C  
HETATM   25  O   UNL     1       4.179   2.947   0.888  1.00  0.00           O  
HETATM   26  C   UNL     1       3.544   4.184   1.220  1.00  0.00           C  
HETATM   27  C   UNL     1       3.928   0.706   0.114  1.00  0.00           C  
HETATM   28  O   UNL     1       5.269   0.508   0.215  1.00  0.00           O  
HETATM   29  C   UNL     1       5.765  -0.779  -0.157  1.00  0.00           C  
HETATM   30  C   UNL     1       7.261  -0.812   0.019  1.00  0.00           C  
HETATM   31  C   UNL     1       7.807  -1.206   1.227  1.00  0.00           C  
HETATM   32  C   UNL     1       9.180  -1.235   1.388  1.00  0.00           C  
HETATM   33  C   UNL     1      10.007  -0.871   0.341  1.00  0.00           C  
HETATM   34  C   UNL     1       9.461  -0.477  -0.866  1.00  0.00           C  
HETATM   35  C   UNL     1       8.088  -0.453  -1.029  1.00  0.00           C  
HETATM   36  C   UNL     1      11.503  -0.903   0.517  1.00  0.00           C  
HETATM   37  C   UNL     1      12.358  -0.300  -0.599  1.00  0.00           C  
HETATM   38  C   UNL     1      12.304  -1.818  -0.411  1.00  0.00           C  
HETATM   39  H   UNL     1      -6.318  -2.594   1.958  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.967  -2.086   2.493  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.832  -0.495  -1.734  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.783  -1.951  -1.373  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.983  -2.829   0.162  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.589  -0.855   0.079  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.646   0.183   1.132  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.627   2.243   0.276  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.130   2.062  -2.117  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.217   0.496  -2.257  1.00  0.00           H  
HETATM   49  H   UNL     1       1.104  -0.912  -0.781  1.00  0.00           H  
HETATM   50  H   UNL     1       3.532  -1.272  -0.601  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.059  -1.075  -1.169  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.259  -1.953   0.366  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.506   0.254   1.540  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.512   1.327  -1.158  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.440  -0.130  -0.788  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.476  -1.074   0.721  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.924   0.823   0.823  1.00  0.00           H  
HETATM   58  H   UNL     1       1.579   3.090   0.614  1.00  0.00           H  
HETATM   59  H   UNL     1       2.823   4.018   2.021  1.00  0.00           H  
HETATM   60  H   UNL     1       4.296   4.900   1.551  1.00  0.00           H  
HETATM   61  H   UNL     1       3.030   4.575   0.343  1.00  0.00           H  
HETATM   62  H   UNL     1       5.308  -1.541   0.476  1.00  0.00           H  
HETATM   63  H   UNL     1       5.517  -0.977  -1.199  1.00  0.00           H  
HETATM   64  H   UNL     1       7.161  -1.490   2.044  1.00  0.00           H  
HETATM   65  H   UNL     1       9.606  -1.542   2.331  1.00  0.00           H  
HETATM   66  H   UNL     1      10.107  -0.193  -1.684  1.00  0.00           H  
HETATM   67  H   UNL     1       7.662  -0.149  -1.974  1.00  0.00           H  
HETATM   68  H   UNL     1      11.858  -0.789   1.541  1.00  0.00           H  
HETATM   69  H   UNL     1      11.839   0.119  -1.461  1.00  0.00           H  
HETATM   70  H   UNL     1      13.277   0.211  -0.310  1.00  0.00           H  
HETATM   71  H   UNL     1      13.187  -2.306   0.002  1.00  0.00           H  
HETATM   72  H   UNL     1      11.749  -2.397  -1.149  1.00  0.00           H  
CONECT    1    5    6    2    2                                       
CONECT    2    1    1    3   39                                       
CONECT    3   15   15    2   40                                       
CONECT    4    7    5    5   15                                       
CONECT    5    4    4    1   41                                       
CONECT    6    1   16   42   43                                       
CONECT    7   14   14   22    4                                       
CONECT    8    9   22   44   45                                       
CONECT    9   10    8   11   46                                       
CONECT   10    9   22   47   48                                       
CONECT   11    9   12   12   23                                       
CONECT   12   11   11   13   49                                       
CONECT   13   12   27   27   50                                       
CONECT   14    7    7                                                 
CONECT   15    4    3    3                                            
CONECT   16    6   17                                                 
CONECT   17   16   18   51   52                                       
CONECT   18   17   20   19   53                                       
CONECT   19   18   54                                                 
CONECT   20   18   21   55   56                                       
CONECT   21   20   57                                                 
CONECT   22   10    7    8                                            
CONECT   23   11   24   24   58                                       
CONECT   24   23   23   27   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   59   60   61                                       
CONECT   27   13   13   24   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   62   63                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   64                                       
CONECT   32   31   33   33   65                                       
CONECT   33   32   32   34   36                                       
CONECT   34   35   35   33   66                                       
CONECT   35   30   34   34   67                                       
CONECT   36   33   38   37   68                                       
CONECT   37   36   38   69   70                                       
CONECT   38   36   37   71   72                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
