COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.656   2.984  86.315  1.00  0.00           O  
HETATM    2  C   UNL     1       1.449   7.827  83.100  1.00  0.00           C2+
HETATM    3  C   UNL     1       0.555   7.083  84.304  1.00  0.00           C1+
HETATM    4  O   UNL     1       4.968   6.145  81.310  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.051   4.239  83.006  1.00  0.00           C2+
HETATM    6  O   UNL     1       5.909   8.316  80.465  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.386   4.068  84.476  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.493   2.570  84.780  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.097   4.755  81.839  1.00  0.00           C1+
HETATM   10  O   UNL     1      -0.407   2.731  87.572  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.387   0.647  86.433  1.00  0.00           N  
HETATM   12  C   UNL     1       2.962   7.520  83.083  1.00  0.00           C  
HETATM   13  C   UNL     1       3.797   8.364  82.117  1.00  0.00           C  
HETATM   14  B   UNL     1       1.477   5.421  80.991  1.00  0.00           B  
HETATM   15  B   UNL     1       0.788   4.223  79.849  1.00  0.00           B  
HETATM   16  B   UNL     1       1.920   3.686  81.120  1.00  0.00           B  
HETATM   17  B   UNL     1       1.541   4.663  82.582  1.00  0.00           B  
HETATM   18  B   UNL     1       0.928   2.965  82.412  1.00  0.00           B  
HETATM   19  B   UNL     1      -0.769   3.064  81.956  1.00  0.00           B  
HETATM   20  B   UNL     1       0.462   2.699  80.727  1.00  0.00           B  
HETATM   21  S   UNL     1      -1.305   2.264  86.379  1.00  0.00           S  
HETATM   22  B   UNL     1      -0.237   5.474  80.562  1.00  0.00           B  
HETATM   23  B   UNL     1      -0.877   3.829  80.401  1.00  0.00           B  
HETATM   24 CO   UNL     1       0.201   6.224  82.477  1.00  0.00          Co  
HETATM   25  S   UNL     1       5.402   7.571  81.687  1.00  0.00           S  
HETATM   26  N   UNL     1       6.364   7.708  82.948  1.00  0.00           N  
HETATM   27  B   UNL     1       1.086   8.720  84.545  1.00  0.00           B  
HETATM   28  B   UNL     1       0.995   9.482  82.943  1.00  0.00           B  
HETATM   29  B   UNL     1       0.445   8.218  81.764  1.00  0.00           B  
HETATM   30  B   UNL     1      -0.535   8.224  85.019  1.00  0.00           B  
HETATM   31  B   UNL     1      -1.664   8.696  83.709  1.00  0.00           B  
HETATM   32  B   UNL     1      -0.698   9.475  82.411  1.00  0.00           B  
HETATM   33  B   UNL     1      -0.294   9.763  84.136  1.00  0.00           B  
HETATM   34  B   UNL     1      -1.123   7.006  83.867  1.00  0.00           B  
HETATM   35  B   UNL     1      -1.229   7.787  82.228  1.00  0.00           B  
HETATM   36  H   UNL     1       0.408   4.516  85.092  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.344   4.561  84.698  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.078   2.086  83.984  1.00  0.00           H  
HETATM   39  H   UNL     1       0.518   2.138  84.805  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.463   0.267  86.473  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.898   0.366  87.245  1.00  0.00           H  
HETATM   42  H   UNL     1       3.352   7.683  84.099  1.00  0.00           H  
HETATM   43  H   UNL     1       3.090   6.463  82.806  1.00  0.00           H  
HETATM   44  H   UNL     1       3.220   8.515  81.193  1.00  0.00           H  
HETATM   45  H   UNL     1       4.000   9.338  82.586  1.00  0.00           H  
HETATM   46  H   UNL     1       6.580   8.672  83.100  1.00  0.00           H  
HETATM   47  H   UNL     1       5.908   7.337  83.757  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2    3   12   24   27                                       
CONECT    2   28   29                                                 
CONECT    3    2   24   27   30                                       
CONECT    3   34                                                      
CONECT    4   25   25                                                 
CONECT    5    7    9   17   18                                       
CONECT    5   19   24                                                 
CONECT    6   25   25                                                 
CONECT    7    5    8   36   37                                       
CONECT    8    7   21   38   39                                       
CONECT    9    5   19   22   23                                       
CONECT    9   24                                                      
CONECT   10   21   21                                                 
CONECT   11   21   40   41                                            
CONECT   12    2   13   42   43                                       
CONECT   13   12   25   44   45                                       
CONECT   14   15   17   22   24                                       
CONECT   14   16                                                      
CONECT   15   14   16   20   22                                       
CONECT   15   23                                                      
CONECT   16   15   18   17   14                                       
CONECT   16   20                                                      
CONECT   17    5   14   24   16                                       
CONECT   17   18                                                      
CONECT   18    5   16   19   20                                       
CONECT   18   17                                                      
CONECT   19    5    9   18   20                                       
CONECT   19   23                                                      
CONECT   20   15   18   19   23                                       
CONECT   20   16                                                      
CONECT   21    1    1    8   10                                       
CONECT   21   10   11                                                 
CONECT   22    9   14   15   23                                       
CONECT   22   24                                                      
CONECT   23    9   19   20   22                                       
CONECT   23   15                                                      
CONECT   24    2    3    5    9                                       
CONECT   24   14   17   22   29                                       
CONECT   24   34   35                                                 
CONECT   25    4    4    6    6                                       
CONECT   25   13   26                                                 
CONECT   26   25   46   47                                            
CONECT   27    2    3   28   30                                       
CONECT   27   33                                                      
CONECT   28    2   27   32   33                                       
CONECT   28   29                                                      
CONECT   29    2   24   35   32                                       
CONECT   29   28                                                      
CONECT   30    3   27   31   33                                       
CONECT   30   34                                                      
CONECT   31   30   33   34   35                                       
CONECT   31   32                                                      
CONECT   32   28   33   35   29                                       
CONECT   32   31                                                      
CONECT   33   27   28   30   31                                       
CONECT   33   32                                                      
CONECT   34    3   24   30   31                                       
CONECT   34   35                                                      
CONECT   35   24   29   31   32                                       
CONECT   35   34                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
