COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.657  -0.200   0.056  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.250  -1.431  -0.273  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.546  -1.691   0.204  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.280  -1.400  -1.180  1.00  0.00           C  
HETATM    5  N   UNL     1      -8.147  -0.765   0.943  1.00  0.00           N  
HETATM    6  N   UNL     1      -6.339   0.668   0.797  1.00  0.00           N  
HETATM    7  C   UNL     1       3.112   0.372  -0.644  1.00  0.00           C  
HETATM    8  C   UNL     1       4.196  -0.015   0.379  1.00  0.00           C  
HETATM    9  C   UNL     1       4.021   2.342   0.434  1.00  0.00           C  
HETATM   10  C   UNL     1       3.379   1.877  -0.891  1.00  0.00           C  
HETATM   11  O   UNL     1       4.593   1.184   1.050  1.00  0.00           O  
HETATM   12  O   UNL     1       4.295   2.049  -1.974  1.00  0.00           O  
HETATM   13  O   UNL     1       3.247  -0.368  -1.853  1.00  0.00           O  
HETATM   14  O   UNL     1       2.419  -0.217  -4.235  1.00  0.00           O  
HETATM   15  S   UNL     1       1.443  -2.639  -2.834  1.00  0.00           S  
HETATM   16  C   UNL     1       2.939   2.929   1.342  1.00  0.00           C  
HETATM   17  C   UNL     1       3.577  -2.329   1.195  1.00  0.00           C  
HETATM   18  C   UNL     1       2.983  -2.820   2.369  1.00  0.00           C  
HETATM   19  C   UNL     1       3.124  -0.665   2.568  1.00  0.00           C  
HETATM   20  C   UNL     1       3.714  -4.477   0.389  1.00  0.00           C  
HETATM   21  C   UNL     1       2.780  -4.206   2.482  1.00  0.00           C  
HETATM   22  N   UNL     1       3.649  -0.968   1.347  1.00  0.00           N  
HETATM   23  N   UNL     1       2.733  -1.753   3.166  1.00  0.00           N  
HETATM   24  N   UNL     1       3.924  -3.186   0.240  1.00  0.00           N  
HETATM   25  N   UNL     1       3.159  -4.985   1.474  1.00  0.00           N  
HETATM   26  N   UNL     1       2.200  -4.747   3.615  1.00  0.00           N  
HETATM   27  O   UNL     1       0.564   3.708  -0.876  1.00  0.00           O  
HETATM   28  O   UNL     1       1.662   2.395   0.977  1.00  0.00           O  
HETATM   29  S   UNL     1       0.416   5.081   1.743  1.00  0.00           S  
HETATM   30  P   UNL     1       2.012  -0.597  -2.865  1.00  0.00           P  
HETATM   31  P   UNL     1       0.422   3.328   0.548  1.00  0.00           P  
HETATM   32  C   UNL     1      -0.275  -0.155  -1.548  1.00  0.00           C  
HETATM   33  O   UNL     1       0.770   0.315  -2.399  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.175   1.017  -1.145  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.514   0.755  -1.563  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.174   1.178   0.382  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.961   2.539   0.754  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.584   0.730   0.816  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.091   1.594   1.834  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.421   0.863  -0.467  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.549   0.378   1.226  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.181  -2.886  -0.088  1.00  0.00           N  
HETATM   43  N   UNL     1      -5.357  -2.115  -1.028  1.00  0.00           N  
HETATM   44  N   UNL     1      -4.416  -0.210  -0.529  1.00  0.00           N  
HETATM   45  H   UNL     1      -3.408  -1.704  -1.739  1.00  0.00           H  
HETATM   46  H   UNL     1       2.122   0.233  -0.212  1.00  0.00           H  
HETATM   47  H   UNL     1       5.050  -0.452  -0.135  1.00  0.00           H  
HETATM   48  H   UNL     1       4.788   3.083   0.229  1.00  0.00           H  
HETATM   49  H   UNL     1       2.452   2.408  -1.082  1.00  0.00           H  
HETATM   50  H   UNL     1       4.560   2.967  -2.122  1.00  0.00           H  
HETATM   51  H   UNL     1       0.422  -2.682  -3.708  1.00  0.00           H  
HETATM   52  H   UNL     1       3.154   2.675   2.379  1.00  0.00           H  
HETATM   53  H   UNL     1       2.923   4.014   1.231  1.00  0.00           H  
HETATM   54  H   UNL     1       3.043   0.331   2.978  1.00  0.00           H  
HETATM   55  H   UNL     1       4.008  -5.147  -0.407  1.00  0.00           H  
HETATM   56  H   UNL     1       1.928  -4.168   4.345  1.00  0.00           H  
HETATM   57  H   UNL     1       2.065  -5.705   3.681  1.00  0.00           H  
HETATM   58  H   UNL     1       1.610   5.636   1.471  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.868  -0.899  -2.080  1.00  0.00           H  
HETATM   60  H   UNL     1       0.158  -0.608  -0.656  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.817   1.932  -1.620  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.417   0.539   0.835  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.568  -0.301   1.160  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.976   1.359   2.145  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.916   1.834  -0.488  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.075   1.106   1.826  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.732  -3.554  -0.628  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.075  -3.054   0.248  1.00  0.00           H  
CONECT    1    6    2    2   44                                       
CONECT    2    1    1    3   43                                       
CONECT    3    5    5    2   42                                       
CONECT    4   44   43   43   45                                       
CONECT    5   41    3    3                                            
CONECT    6   41   41    1                                            
CONECT    7   10    8   13   46                                       
CONECT    8   11   22    7   47                                       
CONECT    9   16   11   10   48                                       
CONECT   10    9    7   12   49                                       
CONECT   11    9    8                                                 
CONECT   12   10   50                                                 
CONECT   13    7   30                                                 
CONECT   14   30   30                                                 
CONECT   15   30   51                                                 
CONECT   16   28    9   52   53                                       
CONECT   17   22   18   18   24                                       
CONECT   18   23   17   17   21                                       
CONECT   19   23   23   22   54                                       
CONECT   20   24   24   25   55                                       
CONECT   21   18   26   25   25                                       
CONECT   22   19    8   17                                            
CONECT   23   19   19   18                                            
CONECT   24   17   20   20                                            
CONECT   25   21   21   20                                            
CONECT   26   21   56   57                                            
CONECT   27   31   31                                                 
CONECT   28   31   16                                                 
CONECT   29   31   58                                                 
CONECT   30   33   13   14   14                                       
CONECT   30   15                                                      
CONECT   31   27   27   29   37                                       
CONECT   31   28                                                      
CONECT   32   34   33   59   60                                       
CONECT   33   32   30                                                 
CONECT   34   36   35   32   61                                       
CONECT   35   40   34                                                 
CONECT   36   38   37   34   62                                       
CONECT   37   31   36                                                 
CONECT   38   39   36   40   63                                       
CONECT   39   38   64                                                 
CONECT   40   38   44   35   65                                       
CONECT   41    6    6    5   66                                       
CONECT   42    3   67   68                                            
CONECT   43    2    4    4                                            
CONECT   44    1   40    4                                            
CONECT   45    4                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   36                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   40                                                      
CONECT   66   41                                                      
CONECT   67   42                                                      
CONECT   68   42                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
