COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.424   1.122  -0.209  1.00  0.00           C  
HETATM    2  C   UNL     1       1.255   1.557   0.101  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.033   1.036   1.569  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.189   0.301   1.381  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.849   0.350   0.168  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.353   1.133  -0.858  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.198   1.868  -0.670  1.00  0.00           C  
HETATM    8  C   UNL     1       3.696  -1.194  -1.097  1.00  0.00           C  
HETATM    9  C   UNL     1       4.253  -2.169  -0.134  1.00  0.00           C  
HETATM   10  C   UNL     1       4.867   1.452  -0.191  1.00  0.00           C  
HETATM   11  C   UNL     1       5.687   1.069  -1.253  1.00  0.00           C  
HETATM   12  C   UNL     1       7.031   1.379  -1.229  1.00  0.00           C  
HETATM   13  C   UNL     1       7.567   2.067  -0.156  1.00  0.00           C  
HETATM   14  C   UNL     1       6.759   2.450   0.901  1.00  0.00           C  
HETATM   15  C   UNL     1       5.412   2.151   0.886  1.00  0.00           C  
HETATM   16  C   UNL     1       5.105  -3.183  -0.577  1.00  0.00           C  
HETATM   17  C   UNL     1       5.622  -4.089   0.326  1.00  0.00           C  
HETATM   18  C   UNL     1       5.297  -3.995   1.668  1.00  0.00           C  
HETATM   19  N   UNL     1       2.487   1.965   0.169  1.00  0.00           N  
HETATM   20  S   UNL     1       1.175  -0.046  -0.485  1.00  0.00           S  
HETATM   21  C   UNL     1       2.930  -0.099  -0.631  1.00  0.00           C  
HETATM   22  N   UNL     1       0.156   2.316   0.461  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.083   1.798   0.359  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.236   0.666  -0.049  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.281   2.625   0.751  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.537   1.819   0.544  1.00  0.00           C  
HETATM   27  S   UNL     1      -7.322  -0.587  -0.072  1.00  0.00           S  
HETATM   28  O   UNL     1      -7.859  -0.735   1.235  1.00  0.00           O  
HETATM   29  O   UNL     1      -8.029   0.124  -1.079  1.00  0.00           O  
HETATM   30  O   UNL     1       3.898  -1.333  -2.290  1.00  0.00           O  
HETATM   31  C   UNL     1       4.453  -2.992   2.113  1.00  0.00           C  
HETATM   32  C   UNL     1       3.934  -2.077   1.222  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.744  -2.184  -0.708  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.945  -3.098  -0.960  1.00  0.00           C  
HETATM   35  H   UNL     1      -3.519   1.001   2.519  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.576  -0.311   2.182  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.869   1.171  -1.806  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.810   2.480  -1.471  1.00  0.00           H  
HETATM   39  H   UNL     1       5.270   0.530  -2.091  1.00  0.00           H  
HETATM   40  H   UNL     1       7.667   1.083  -2.051  1.00  0.00           H  
HETATM   41  H   UNL     1       8.620   2.307  -0.142  1.00  0.00           H  
HETATM   42  H   UNL     1       7.183   2.987   1.736  1.00  0.00           H  
HETATM   43  H   UNL     1       4.782   2.455   1.709  1.00  0.00           H  
HETATM   44  H   UNL     1       5.359  -3.257  -1.624  1.00  0.00           H  
HETATM   45  H   UNL     1       6.280  -4.874  -0.015  1.00  0.00           H  
HETATM   46  H   UNL     1       5.704  -4.707   2.371  1.00  0.00           H  
HETATM   47  H   UNL     1       0.278   3.222   0.787  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.199   2.908   1.800  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.319   3.523   0.134  1.00  0.00           H  
HETATM   50  H   UNL     1       4.207  -2.922   3.162  1.00  0.00           H  
HETATM   51  H   UNL     1       3.276  -1.295   1.570  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.203  -2.030  -1.642  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.081  -2.648   0.022  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.485  -3.253  -0.026  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.608  -2.634  -1.690  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.598  -4.058  -1.342  1.00  0.00           H  
CONECT    1   19   10   21   21                                       
CONECT    2   22   19   19   20                                       
CONECT    3    4    4   26   35                                       
CONECT    4    5    3    3   36                                       
CONECT    5   27    6    6    4                                       
CONECT    6    5    5    7   37                                       
CONECT    7    6   26   26   38                                       
CONECT    8   21    9   30   30                                       
CONECT    9   32    8   16   16                                       
CONECT   10   11    1   15   15                                       
CONECT   11   12   12   10   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   12   14   14   41                                       
CONECT   14   13   13   15   42                                       
CONECT   15   10   10   14   43                                       
CONECT   16    9    9   17   44                                       
CONECT   17   18   18   16   45                                       
CONECT   18   31   17   17   46                                       
CONECT   19    2    2    1                                            
CONECT   20    2   21                                                 
CONECT   21    1    1   20    8                                       
CONECT   22   23    2   47                                            
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   48   49                                       
CONECT   26    7    7    3   25                                       
CONECT   27   29   29   28   28                                       
CONECT   27   33    5                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30    8    8                                                 
CONECT   31   32   32   18   50                                       
CONECT   32   31   31    9   51                                       
CONECT   33   27   34   52   53                                       
CONECT   34   33   54   55   56                                       
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
