COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.177   1.752   6.199  1.00  0.00           C  
HETATM    2  N   UNL     1      10.737   0.512   6.036  1.00  0.00           N  
HETATM    3  C   UNL     1      11.861   0.475   6.812  1.00  0.00           C  
HETATM    4  C   UNL     1      11.926   1.720   7.418  1.00  0.00           C  
HETATM    5  N   UNL     1      10.871   2.506   7.027  1.00  0.00           N  
HETATM    6  N   UNL     1      12.720  -0.545   6.959  1.00  0.00           N  
HETATM    7  C   UNL     1      13.712  -0.207   7.812  1.00  0.00           C  
HETATM    8  N   UNL     1      13.905   0.960   8.472  1.00  0.00           N  
HETATM    9  C   UNL     1      12.997   1.947   8.276  1.00  0.00           C  
HETATM   10  N   UNL     1      13.142   3.181   8.932  1.00  0.00           N  
HETATM   11  C   UNL     1      10.220  -0.563   5.186  1.00  0.00           C  
HETATM   12  C   UNL     1       9.179  -1.445   5.879  1.00  0.00           C  
HETATM   13  O   UNL     1       9.419  -2.810   5.540  1.00  0.00           O  
HETATM   14  C   UNL     1       7.872  -0.953   5.285  1.00  0.00           C  
HETATM   15  O   UNL     1       6.852  -1.929   5.287  1.00  0.00           O  
HETATM   16  C   UNL     1       8.285  -0.560   3.877  1.00  0.00           C  
HETATM   17  O   UNL     1       9.598   0.007   4.015  1.00  0.00           O  
HETATM   18  C   UNL     1       7.353   0.451   3.234  1.00  0.00           C  
HETATM   19  O   UNL     1       7.830   0.757   1.935  1.00  0.00           O  
HETATM   20  P   UNL     1       7.031   1.815   1.007  1.00  0.00           P  
HETATM   21  O   UNL     1       5.510   1.264   0.973  1.00  0.00           O  
HETATM   22  O   UNL     1       7.632   2.057  -0.346  1.00  0.00           O  
HETATM   23  O   UNL     1       6.940   3.126   1.949  1.00  0.00           O  
HETATM   24  P   UNL     1       8.093   4.108   2.513  1.00  0.00           P  
HETATM   25  O   UNL     1       8.666   4.820   1.179  1.00  0.00           O  
HETATM   26  O   UNL     1       9.129   3.445   3.373  1.00  0.00           O  
HETATM   27  O   UNL     1       7.200   5.250   3.225  1.00  0.00           O  
HETATM   28  C   UNL     1       6.203   5.908   2.449  1.00  0.00           C  
HETATM   29  C   UNL     1       5.451   6.967   3.293  1.00  0.00           C  
HETATM   30  C   UNL     1       4.745   6.312   4.517  1.00  0.00           C  
HETATM   31  C   UNL     1       6.471   8.008   3.811  1.00  0.00           C  
HETATM   32  C   UNL     1       4.437   7.715   2.405  1.00  0.00           C  
HETATM   33  O   UNL     1       4.060   7.312   5.267  1.00  0.00           O  
HETATM   34  C   UNL     1       3.704   5.256   4.152  1.00  0.00           C  
HETATM   35  O   UNL     1       2.511   5.390   4.417  1.00  0.00           O  
HETATM   36  N   UNL     1       4.251   4.174   3.481  1.00  0.00           N  
HETATM   37  C   UNL     1       3.461   3.060   3.009  1.00  0.00           C  
HETATM   38  C   UNL     1       3.382   1.990   4.089  1.00  0.00           C  
HETATM   39  C   UNL     1       2.577   0.780   3.651  1.00  0.00           C  
HETATM   40  O   UNL     1       2.051   0.687   2.545  1.00  0.00           O  
HETATM   41  N   UNL     1       2.517  -0.182   4.649  1.00  0.00           N  
HETATM   42  C   UNL     1       1.810  -1.431   4.492  1.00  0.00           C  
HETATM   43  C   UNL     1       0.354  -1.351   4.931  1.00  0.00           C  
HETATM   44  S   UNL     1       0.189  -0.935   6.694  1.00  0.00           S  
HETATM   45  P   UNL     1       6.383  -2.538   6.706  1.00  0.00           P  
HETATM   46  O   UNL     1       7.459  -3.232   7.489  1.00  0.00           O  
HETATM   47  O   UNL     1       5.103  -3.452   6.331  1.00  0.00           O  
HETATM   48  O   UNL     1       5.723  -1.257   7.439  1.00  0.00           O  
HETATM   49  C   UNL     1      -1.558  -1.018   6.833  1.00  0.00           C  
HETATM   50  O   UNL     1      -2.125  -0.799   7.896  1.00  0.00           O  
HETATM   51  H   UNL     1       9.269   2.047   5.691  1.00  0.00           H  
HETATM   52  H   UNL     1      11.103  -1.126   4.867  1.00  0.00           H  
HETATM   53  H   UNL     1      14.458  -0.975   7.991  1.00  0.00           H  
HETATM   54  H   UNL     1      13.326   4.007   8.394  1.00  0.00           H  
HETATM   55  H   UNL     1      13.154   3.208   9.934  1.00  0.00           H  
HETATM   56  H   UNL     1       9.196  -1.380   6.971  1.00  0.00           H  
HETATM   57  H   UNL     1       8.680  -3.331   5.898  1.00  0.00           H  
HETATM   58  H   UNL     1       7.526  -0.073   5.839  1.00  0.00           H  
HETATM   59  H   UNL     1       8.356  -1.438   3.224  1.00  0.00           H  
HETATM   60  H   UNL     1       7.320   1.372   3.823  1.00  0.00           H  
HETATM   61  H   UNL     1       6.342   0.042   3.150  1.00  0.00           H  
HETATM   62  H   UNL     1       4.862   1.699   0.378  1.00  0.00           H  
HETATM   63  H   UNL     1       9.280   4.321   0.600  1.00  0.00           H  
HETATM   64  H   UNL     1       6.706   6.373   1.595  1.00  0.00           H  
HETATM   65  H   UNL     1       5.516   5.145   2.071  1.00  0.00           H  
HETATM   66  H   UNL     1       5.494   5.866   5.184  1.00  0.00           H  
HETATM   67  H   UNL     1       5.983   8.746   4.458  1.00  0.00           H  
HETATM   68  H   UNL     1       6.943   8.557   2.988  1.00  0.00           H  
HETATM   69  H   UNL     1       7.271   7.534   4.389  1.00  0.00           H  
HETATM   70  H   UNL     1       4.939   8.297   1.624  1.00  0.00           H  
HETATM   71  H   UNL     1       3.835   8.414   2.996  1.00  0.00           H  
HETATM   72  H   UNL     1       3.755   7.022   1.899  1.00  0.00           H  
HETATM   73  H   UNL     1       3.226   7.482   4.802  1.00  0.00           H  
HETATM   74  H   UNL     1       5.246   4.162   3.280  1.00  0.00           H  
HETATM   75  H   UNL     1       2.459   3.414   2.743  1.00  0.00           H  
HETATM   76  H   UNL     1       3.915   2.654   2.098  1.00  0.00           H  
HETATM   77  H   UNL     1       2.920   2.404   4.994  1.00  0.00           H  
HETATM   78  H   UNL     1       4.391   1.654   4.360  1.00  0.00           H  
HETATM   79  H   UNL     1       2.991   0.001   5.529  1.00  0.00           H  
HETATM   80  H   UNL     1       1.854  -1.683   3.427  1.00  0.00           H  
HETATM   81  H   UNL     1       2.360  -2.203   5.040  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.190  -0.602   4.346  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.130  -2.320   4.773  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.124  -1.278   5.925  1.00  0.00           H  
HETATM   85  H   UNL     1       4.677  -3.984   7.036  1.00  0.00           H  
HETATM   86  H   UNL     1       5.436  -1.340   8.373  1.00  0.00           H  
CONECT    1    2    5    5   51                                       
CONECT    2    1    3   11                                            
CONECT    3    2    4    6    6                                       
CONECT    4    3    5    9    9                                       
CONECT    5    1    1    4                                            
CONECT    6    3    3    7                                            
CONECT    7    6    8    8   53                                       
CONECT    8    7    7    9                                            
CONECT    9    4    4    8   10                                       
CONECT   10    9   54   55                                            
CONECT   11    2   12   17   52                                       
CONECT   12   11   13   14   56                                       
CONECT   13   12   57                                                 
CONECT   14   12   15   16   58                                       
CONECT   15   14   45                                                 
CONECT   16   14   17   18   59                                       
CONECT   17   11   16                                                 
CONECT   18   16   19   60   61                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   22   22                                       
CONECT   20   23                                                      
CONECT   21   20   62                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24   63                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   64   65                                       
CONECT   29   28   30   31   32                                       
CONECT   30   29   33   34   66                                       
CONECT   31   29   67   68   69                                       
CONECT   32   29   70   71   72                                       
CONECT   33   30   73                                                 
CONECT   34   30   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   74                                            
CONECT   37   36   38   75   76                                       
CONECT   38   37   39   77   78                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   79                                            
CONECT   42   41   43   80   81                                       
CONECT   43   42   44   82   83                                       
CONECT   44   43   49                                                 
CONECT   45   15   46   46   47                                       
CONECT   45   48                                                      
CONECT   46   45   45                                                 
CONECT   47   45   85                                                 
CONECT   48   45   86                                                 
CONECT   49   44   50   50   84                                       
CONECT   50   49   49                                                 
CONECT   51    1                                                      
CONECT   52   11                                                      
CONECT   53    7                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   21                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   49                                                      
CONECT   85   47                                                      
CONECT   86   48                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
