COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.409   2.685   0.104  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.559   1.187   0.377  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.519   0.428  -0.405  1.00  0.00           C  
HETATM    4  S   UNL     1      -8.641  -0.220  -2.011  1.00  0.00           S  
HETATM    5  C   UNL     1      -7.011  -0.920  -2.107  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.473  -0.589  -0.842  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.312   0.099  -0.039  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.154  -1.017  -0.587  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.448  -1.715  -1.551  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.021  -2.020  -2.790  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.303  -1.618  -3.056  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.060  -2.151  -1.264  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.085  -2.074  -2.259  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.797  -2.479  -1.993  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.466  -2.967  -0.726  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.444  -3.050   0.267  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.731  -2.638   0.001  1.00  0.00           C  
HETATM   18  C   UNL     1       0.917  -3.402  -0.440  1.00  0.00           C  
HETATM   19  N   UNL     1       1.235  -3.873   0.782  1.00  0.00           N  
HETATM   20  S   UNL     1       2.785  -4.360   1.103  1.00  0.00           S  
HETATM   21  C   UNL     1       3.818  -2.936   0.994  1.00  0.00           C  
HETATM   22  O   UNL     1       1.767  -3.334  -1.307  1.00  0.00           O  
HETATM   23  O   UNL     1       3.161  -5.194   0.015  1.00  0.00           O  
HETATM   24  O   UNL     1       2.795  -4.739   2.472  1.00  0.00           O  
HETATM   25  C   UNL     1       4.049  -2.163   2.117  1.00  0.00           C  
HETATM   26  C   UNL     1       4.858  -1.047   2.035  1.00  0.00           C  
HETATM   27  C   UNL     1       5.436  -0.698   0.821  1.00  0.00           C  
HETATM   28  C   UNL     1       5.207  -1.480  -0.304  1.00  0.00           C  
HETATM   29  C   UNL     1       4.397  -2.595  -0.215  1.00  0.00           C  
HETATM   30  N   UNL     1       5.104  -0.220   3.238  1.00  0.00           N1+
HETATM   31  O   UNL     1       4.206  -0.027   4.037  1.00  0.00           O1-
HETATM   32  O   UNL     1       6.202   0.271   3.425  1.00  0.00           O  
HETATM   33  N   UNL     1       6.255   0.430   0.735  1.00  0.00           N  
HETATM   34  C   UNL     1       6.977   0.718  -0.507  1.00  0.00           C  
HETATM   35  C   UNL     1       7.794   2.000  -0.337  1.00  0.00           C  
HETATM   36  S   UNL     1       8.687   2.356  -1.875  1.00  0.00           S  
HETATM   37  C   UNL     1       9.520   3.838  -1.409  1.00  0.00           C  
HETATM   38  C   UNL     1      10.350   4.485  -2.316  1.00  0.00           C  
HETATM   39  C   UNL     1      11.001   5.646  -1.947  1.00  0.00           C  
HETATM   40  C   UNL     1      10.828   6.164  -0.677  1.00  0.00           C  
HETATM   41  C   UNL     1      10.003   5.522   0.229  1.00  0.00           C  
HETATM   42  C   UNL     1       9.344   4.365  -0.135  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.356   4.839   2.322  1.00  0.00           C  
HETATM   44  C   UNL     1     -11.120   4.582   2.884  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.166   3.885   2.166  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.449   3.445   0.887  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.683   3.707   0.323  1.00  0.00           C  
HETATM   48  C   UNL     1     -12.639   4.400   1.043  1.00  0.00           C  
HETATM   49  H   UNL     1      -8.414   3.012   0.408  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.544   2.876  -0.960  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.553   0.860   0.073  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.423   0.997   1.442  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.691  -0.798   0.364  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.458  -2.569  -3.530  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.756  -1.848  -4.010  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.341  -1.697  -3.238  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.042  -2.419  -2.763  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.190  -3.427   1.247  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.486  -2.697   0.771  1.00  0.00           H  
HETATM   60  H   UNL     1       0.557  -3.926   1.473  1.00  0.00           H  
HETATM   61  H   UNL     1       3.595  -2.433   3.059  1.00  0.00           H  
HETATM   62  H   UNL     1       5.659  -1.215  -1.248  1.00  0.00           H  
HETATM   63  H   UNL     1       4.215  -3.200  -1.091  1.00  0.00           H  
HETATM   64  H   UNL     1       6.347   1.022   1.497  1.00  0.00           H  
HETATM   65  H   UNL     1       7.645  -0.111  -0.740  1.00  0.00           H  
HETATM   66  H   UNL     1       6.262   0.848  -1.320  1.00  0.00           H  
HETATM   67  H   UNL     1       7.126   2.829  -0.104  1.00  0.00           H  
HETATM   68  H   UNL     1       8.509   1.869   0.476  1.00  0.00           H  
HETATM   69  H   UNL     1      10.486   4.081  -3.308  1.00  0.00           H  
HETATM   70  H   UNL     1      11.646   6.150  -2.652  1.00  0.00           H  
HETATM   71  H   UNL     1      11.338   7.072  -0.391  1.00  0.00           H  
HETATM   72  H   UNL     1       9.870   5.929   1.221  1.00  0.00           H  
HETATM   73  H   UNL     1       8.700   3.864   0.573  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.102   5.383   2.883  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.899   4.926   3.884  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.200   3.685   2.605  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.904   3.363  -0.677  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.605   4.600   0.604  1.00  0.00           H  
CONECT    1    2   46   49   50                                       
CONECT    2    1    3   51   52                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7    8                                       
CONECT    7    3    3    6                                            
CONECT    8    6    9    9   53                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9   11   11   54                                       
CONECT   11    5   10   10   55                                       
CONECT   12    9   13   13   17                                       
CONECT   13   12   12   14   56                                       
CONECT   14   13   15   15   57                                       
CONECT   15   14   14   16   18                                       
CONECT   16   15   17   17   58                                       
CONECT   17   12   16   16   59                                       
CONECT   18   15   19   22   22                                       
CONECT   19   18   20   60                                            
CONECT   20   19   21   23   23                                       
CONECT   20   24   24                                                 
CONECT   21   20   25   25   29                                       
CONECT   22   18   18                                                 
CONECT   23   20   20                                                 
CONECT   24   20   20                                                 
CONECT   25   21   21   26   61                                       
CONECT   26   25   27   27   30                                       
CONECT   27   26   26   28   33                                       
CONECT   28   27   29   29   62                                       
CONECT   29   21   28   28   63                                       
CONECT   30   26   31   32   32                                       
CONECT   31   30                                                      
CONECT   32   30   30                                                 
CONECT   33   27   34   64                                            
CONECT   34   33   35   65   66                                       
CONECT   35   34   36   67   68                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   69                                       
CONECT   39   38   40   40   70                                       
CONECT   40   39   39   41   71                                       
CONECT   41   40   42   42   72                                       
CONECT   42   37   41   41   73                                       
CONECT   43   44   44   48   74                                       
CONECT   44   43   43   45   75                                       
CONECT   45   44   46   46   76                                       
CONECT   46    1   45   45   47                                       
CONECT   47   46   48   48   77                                       
CONECT   48   43   47   47   78                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   25                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   47                                                      
CONECT   78   48                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
