COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.910  -1.761   0.183  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.334  -2.784  -0.706  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.818  -0.398   0.063  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.586  -0.262  -0.371  1.00  0.00           C  
HETATM    5  C   UNL     1       3.703  -0.080  -0.806  1.00  0.00           C  
HETATM    6  C   UNL     1       4.229  -1.388  -1.448  1.00  0.00           C  
HETATM    7  C   UNL     1       4.214  -2.483   0.770  1.00  0.00           C  
HETATM    8  C   UNL     1       4.397  -0.057   0.589  1.00  0.00           C  
HETATM    9  C   UNL     1       6.934  -0.327   0.473  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.648   2.152  -0.201  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.018   2.105  -0.061  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.679   0.877  -0.075  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.955  -0.305  -0.231  1.00  0.00           C  
HETATM   14  C   UNL     1       0.079   0.967  -0.357  1.00  0.00           C  
HETATM   15  C   UNL     1       1.547   1.015  -0.507  1.00  0.00           C  
HETATM   16  C   UNL     1       5.168  -1.977  -0.353  1.00  0.00           C  
HETATM   17  C   UNL     1       3.675  -1.162   1.418  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.153   0.828   0.076  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.880   2.007   0.231  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.253   1.955   0.371  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.906   0.736   0.357  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.189  -0.438   0.203  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.431  -1.740   0.343  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.548  -2.238   1.489  1.00  0.00           C  
HETATM   25  N   UNL     1       2.247  -0.127  -0.658  1.00  0.00           N  
HETATM   26  N   UNL     1       5.707  -0.720   0.270  1.00  0.00           N1+
HETATM   27  N   UNL     1       7.176   0.887   1.074  1.00  0.00           N  
HETATM   28  O   UNL     1       2.125   2.084  -0.495  1.00  0.00           O  
HETATM   29 CL   UNL     1       0.176   3.680  -0.185  1.00  0.00          Cl  
HETATM   30  N   UNL     1      -5.890  -3.573  -1.391  1.00  0.00           N  
HETATM   31  H   UNL     1      -4.260  -1.314  -0.062  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.026  -1.178  -0.488  1.00  0.00           H  
HETATM   33  H   UNL     1       4.000   0.787  -1.397  1.00  0.00           H  
HETATM   34  H   UNL     1       3.405  -2.071  -1.656  1.00  0.00           H  
HETATM   35  H   UNL     1       4.786  -1.171  -2.360  1.00  0.00           H  
HETATM   36  H   UNL     1       3.392  -3.059   0.345  1.00  0.00           H  
HETATM   37  H   UNL     1       4.763  -3.076   1.502  1.00  0.00           H  
HETATM   38  H   UNL     1       4.463   0.921   1.066  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.580   3.019   0.059  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.468  -1.255  -0.242  1.00  0.00           H  
HETATM   41  H   UNL     1       5.908  -2.697  -0.702  1.00  0.00           H  
HETATM   42  H   UNL     1       2.593  -1.095   1.311  1.00  0.00           H  
HETATM   43  H   UNL     1       3.962  -1.105   2.469  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.371   2.959   0.242  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.817   2.868   0.491  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.980   0.700   0.467  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.911  -0.769   0.463  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.006  -2.484  -0.209  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.541  -3.309   1.690  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.447  -1.595   2.363  1.00  0.00           H  
HETATM   51  H   UNL     1       1.785  -0.981  -0.667  1.00  0.00           H  
HETATM   52  H   UNL     1       6.435   1.450   1.347  1.00  0.00           H  
HETATM   53  S   UNL     1       8.280  -1.349  -0.023  1.00  0.00           S  
HETATM   54  H   UNL     1       8.089   1.180   1.225  1.00  0.00           H  
HETATM   55  H   UNL     1       9.363  -0.542   0.383  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2   30   30   30    1                                       
CONECT    3   18   22   22   31                                       
CONECT    4   14   14   13   32                                       
CONECT    5    6    8   25   33                                       
CONECT    6   16    5   34   35                                       
CONECT    7   16   17   36   37                                       
CONECT    8   17   26    5   38                                       
CONECT    9   26   26   27   53                                       
CONECT   10   14   29   11   11                                       
CONECT   11   10   10   12   39                                       
CONECT   12   13   13   11   18                                       
CONECT   13    4   12   12   40                                       
CONECT   14   15    4    4   10                                       
CONECT   15   25   28   28   14                                       
CONECT   16    7    6   26   41                                       
CONECT   17    7    8   42   43                                       
CONECT   18   12   19   19    3                                       
CONECT   19   18   18   20   44                                       
CONECT   20   19   21   21   45                                       
CONECT   21   20   20   22   46                                       
CONECT   22    3    3   21    1                                       
CONECT   23    1   24   47   48                                       
CONECT   24    1   23   49   50                                       
CONECT   25    5   15   51                                            
CONECT   26   16    9    9    8                                       
CONECT   27    9   52   54                                            
CONECT   28   15   15                                                 
CONECT   29   10                                                      
CONECT   30    2    2    2                                            
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53    9   55                                                 
CONECT   54   27                                                      
CONECT   55   53                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
