COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.048   0.072   0.145  1.00  0.00           C  
HETATM    2  O   UNL     1       0.581   1.106   0.069  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.317  -0.636  -0.968  1.00  0.00           N  
HETATM    4  C   UNL     1       0.150  -0.158  -2.271  1.00  0.00           C  
HETATM    5  C   UNL     1       1.541  -0.727  -2.554  1.00  0.00           C  
HETATM    6  C   UNL     1       2.511  -0.267  -1.464  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.805  -0.611  -3.345  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.781  -1.269  -3.050  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.575  -0.286  -4.632  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.504  -0.727  -5.676  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.167  -1.018  -7.771  1.00  0.00           C  
HETATM   12  C   UNL     1       0.276  -0.573  -8.999  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.139   0.667  -9.481  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.002   1.452  -8.716  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.444   0.994  -7.491  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.023  -0.235  -7.017  1.00  0.00           C  
HETATM   17  C   UNL     1       0.333   1.150 -10.798  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.079   2.377 -11.271  1.00  0.00           N  
HETATM   19  C   UNL     1       3.882  -0.828  -1.742  1.00  0.00           C  
HETATM   20  O   UNL     1       4.065  -1.527  -2.716  1.00  0.00           O  
HETATM   21  N   UNL     1       4.905  -0.553  -0.908  1.00  0.00           N  
HETATM   22  C   UNL     1       0.536  -1.320   2.111  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.777   0.726   2.366  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.529  -0.418   1.486  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.291   0.981   2.986  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.098   2.102   3.837  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.102   1.048   1.821  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.609  -0.531   3.936  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.994  -0.446   4.581  1.00  0.00           C  
HETATM   30  N   UNL     1       1.140   0.416 -11.510  1.00  0.00           N  
HETATM   31  C   UNL     1       0.314  -0.458   7.428  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.325  -1.615   7.044  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.358  -1.979   5.703  1.00  0.00           C  
HETATM   34  C   UNL     1       0.266  -1.159   4.746  1.00  0.00           C  
HETATM   35  C   UNL     1       0.908   0.014   5.146  1.00  0.00           C  
HETATM   36  C   UNL     1       0.934   0.356   6.484  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.904  -3.049   5.025  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.647  -2.931   3.687  1.00  0.00           C  
HETATM   39  C   UNL     1       0.055  -1.812   3.452  1.00  0.00           C  
HETATM   40  O   UNL     1       1.562   1.495   6.880  1.00  0.00           O  
HETATM   41  C   UNL     1       1.413   1.577   8.299  1.00  0.00           C  
HETATM   42  C   UNL     1       2.101   2.844   8.811  1.00  0.00           C  
HETATM   43  C   UNL     1       1.942   2.931  10.331  1.00  0.00           C  
HETATM   44  H   UNL     1      -0.821  -1.463  -0.906  1.00  0.00           H  
HETATM   45  H   UNL     1       0.197   0.930  -2.263  1.00  0.00           H  
HETATM   46  H   UNL     1       1.494  -1.816  -2.562  1.00  0.00           H  
HETATM   47  H   UNL     1       1.889  -0.372  -3.524  1.00  0.00           H  
HETATM   48  H   UNL     1       2.559   0.821  -1.456  1.00  0.00           H  
HETATM   49  H   UNL     1       2.163  -0.623  -0.494  1.00  0.00           H  
HETATM   50  H   UNL     1       0.204   0.239  -4.868  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.552  -1.816  -5.684  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.496  -0.321  -5.475  1.00  0.00           H  
HETATM   53  H   UNL     1       0.154  -1.978  -7.397  1.00  0.00           H  
HETATM   54  H   UNL     1       0.945  -1.185  -9.587  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.328   2.413  -9.083  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.112   1.600  -6.899  1.00  0.00           H  
HETATM   57  H   UNL     1       0.230   2.694 -12.134  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.679   2.924 -10.741  1.00  0.00           H  
HETATM   59  H   UNL     1       5.787  -0.914  -1.087  1.00  0.00           H  
HETATM   60  H   UNL     1       4.758   0.005  -0.129  1.00  0.00           H  
HETATM   61  H   UNL     1       1.459  -0.756   2.241  1.00  0.00           H  
HETATM   62  H   UNL     1       0.720  -2.172   1.457  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.054   1.334   2.585  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.452  -0.983   1.356  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.571  -1.393   3.270  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.852  -0.638   4.713  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.185  -1.355   5.151  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.032   0.415   5.247  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.751  -0.339   3.804  1.00  0.00           H  
HETATM   70  H   UNL     1       1.450   0.733 -12.373  1.00  0.00           H  
HETATM   71  H   UNL     1       0.337  -0.180   8.471  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.802  -2.239   7.785  1.00  0.00           H  
HETATM   73  H   UNL     1       1.384   0.649   4.414  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.398  -3.776   5.436  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.964  -3.634   2.931  1.00  0.00           H  
HETATM   76  H   UNL     1       1.870   0.702   8.763  1.00  0.00           H  
HETATM   77  H   UNL     1       0.354   1.611   8.552  1.00  0.00           H  
HETATM   78  H   UNL     1       1.645   3.718   8.347  1.00  0.00           H  
HETATM   79  H   UNL     1       3.161   2.809   8.558  1.00  0.00           H  
HETATM   80  H   UNL     1       2.432   3.834  10.696  1.00  0.00           H  
HETATM   81  H   UNL     1       0.883   2.965  10.584  1.00  0.00           H  
HETATM   82  H   UNL     1       2.399   2.057  10.794  1.00  0.00           H  
CONECT    1    2    2    3   24                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   44                                            
CONECT    4    3    5    7   45                                       
CONECT    5    4    6   46   47                                       
CONECT    6    5   19   48   49                                       
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   50                                            
CONECT   10    9   16   51   52                                       
CONECT   11   12   12   16   53                                       
CONECT   12   11   11   13   54                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   15   55                                       
CONECT   15   14   16   16   56                                       
CONECT   16   10   11   15   15                                       
CONECT   17   13   18   30   30                                       
CONECT   18   17   57   58                                            
CONECT   19    6   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   59   60                                            
CONECT   22   24   39   61   62                                       
CONECT   23   24   25   63                                            
CONECT   24    1   22   23   64                                       
CONECT   25   23   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   65   66                                       
CONECT   29   28   67   68   69                                       
CONECT   30   17   17   70                                            
CONECT   31   32   32   36   71                                       
CONECT   32   31   31   33   72                                       
CONECT   33   32   34   34   37                                       
CONECT   34   33   33   35   39                                       
CONECT   35   34   36   36   73                                       
CONECT   36   31   35   35   40                                       
CONECT   37   33   38   74                                            
CONECT   38   37   39   39   75                                       
CONECT   39   22   34   38   38                                       
CONECT   40   36   41                                                 
CONECT   41   40   42   76   77                                       
CONECT   42   41   43   78   79                                       
CONECT   43   42   80   81   82                                       
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   43                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
