COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.354   1.239   0.044  1.00  0.00           C  
HETATM    2  C   UNL     1       3.985   0.984   0.184  1.00  0.00           C  
HETATM    3  C   UNL     1       3.088   2.002   0.607  1.00  0.00           C  
HETATM    4  C   UNL     1       1.903   0.137   0.288  1.00  0.00           C  
HETATM    5  C   UNL     1       3.588  -1.562  -0.501  1.00  0.00           C  
HETATM    6  C   UNL     1       6.055  -0.314  -2.212  1.00  0.00           C  
HETATM    7  C   UNL     1       1.084  -2.141   0.745  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.330  -1.617  -0.517  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.050  -2.883  -0.035  1.00  0.00           C  
HETATM   10  C   UNL     1       0.150  -3.143   0.604  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.635   1.116   0.662  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.988  -0.845  -0.714  1.00  0.00           C  
HETATM   13  C   UNL     1       5.782   2.511   0.333  1.00  0.00           C  
HETATM   14  C   UNL     1       4.911   3.506   0.744  1.00  0.00           C  
HETATM   15  C   UNL     1       3.552   3.283   0.891  1.00  0.00           C  
HETATM   16  N   UNL     1       1.834   1.456   0.652  1.00  0.00           N  
HETATM   17  C   UNL     1       3.183  -0.199  -0.023  1.00  0.00           C  
HETATM   18  C   UNL     1       3.588  -2.569   0.654  1.00  0.00           C  
HETATM   19  C   UNL     1       2.347  -2.347   1.527  1.00  0.00           C  
HETATM   20  S   UNL     1       6.477  -0.017  -0.473  1.00  0.00           S  
HETATM   21  O   UNL     1       7.757   0.592  -0.367  1.00  0.00           O  
HETATM   22  O   UNL     1       6.134  -1.143   0.323  1.00  0.00           O  
HETATM   23  C   UNL     1       0.826  -0.876   0.208  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.394  -0.607  -0.398  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.658  -1.338  -1.174  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.623  -0.899  -0.158  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.274   0.441   0.360  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.511   0.591  -0.506  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.967   0.577  -0.116  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.900   1.221  -0.906  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.236   1.207  -0.548  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.637   0.551   0.600  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.703  -0.093   1.390  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.369  -0.085   1.029  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.309   1.378  -1.681  1.00  0.00           O  
HETATM   36  H   UNL     1       2.888  -1.896  -1.267  1.00  0.00           H  
HETATM   37  H   UNL     1       4.588  -1.509  -0.930  1.00  0.00           H  
HETATM   38  H   UNL     1       6.715  -1.079  -2.621  1.00  0.00           H  
HETATM   39  H   UNL     1       5.021  -0.651  -2.282  1.00  0.00           H  
HETATM   40  H   UNL     1       6.175   0.610  -2.778  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.773  -3.676  -0.159  1.00  0.00           H  
HETATM   42  H   UNL     1       0.354  -4.130   0.992  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.029   0.787   1.624  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.549   2.202   0.629  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.964  -1.080  -1.778  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.629  -1.556  -0.192  1.00  0.00           H  
HETATM   47  H   UNL     1       6.833   2.743   0.237  1.00  0.00           H  
HETATM   48  H   UNL     1       5.305   4.489   0.957  1.00  0.00           H  
HETATM   49  H   UNL     1       2.883   4.068   1.213  1.00  0.00           H  
HETATM   50  H   UNL     1       1.024   1.928   0.902  1.00  0.00           H  
HETATM   51  H   UNL     1       3.574  -3.582   0.253  1.00  0.00           H  
HETATM   52  H   UNL     1       4.485  -2.430   1.257  1.00  0.00           H  
HETATM   53  H   UNL     1       2.514  -1.472   2.154  1.00  0.00           H  
HETATM   54  H   UNL     1       2.217  -3.215   2.174  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.610   0.383  -0.772  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.536  -0.556  -1.922  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.023  -2.246  -1.653  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.728   1.009  -0.393  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.684   0.353   1.272  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.587   1.734  -1.803  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.965   1.711  -1.165  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.680   0.541   0.880  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.017  -0.606   2.287  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.640  -0.592   1.645  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.551   2.309  -1.578  1.00  0.00           H  
CONECT    1   13   20    2    2                                       
CONECT    2    1    1    3   17                                       
CONECT    3   15   15    2   16                                       
CONECT    4   17   17   16   23                                       
CONECT    5   17   18   36   37                                       
CONECT    6   20   38   39   40                                       
CONECT    7   19   23   23   10                                       
CONECT    8   24   24    9   25                                       
CONECT    9   10   10    8   41                                       
CONECT   10    7    9    9   42                                       
CONECT   11   27   28   43   44                                       
CONECT   12   26   28   45   46                                       
CONECT   13   14   14    1   47                                       
CONECT   14   13   13   15   48                                       
CONECT   15   14    3    3   49                                       
CONECT   16    3    4   50                                            
CONECT   17    2    5    4    4                                       
CONECT   18    5   19   51   52                                       
CONECT   19   18    7   53   54                                       
CONECT   20    6   21   21   22                                       
CONECT   20   22    1                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23    4    7    7   24                                       
CONECT   24   23    8    8   55                                       
CONECT   25    8   26   56   57                                       
CONECT   26   25   27   12                                            
CONECT   27   26   11   58   59                                       
CONECT   28   35   11   12   29                                       
CONECT   29   28   34   34   30                                       
CONECT   30   29   31   31   60                                       
CONECT   31   30   30   32   61                                       
CONECT   32   33   33   31   62                                       
CONECT   33   34   32   32   63                                       
CONECT   34   29   29   33   64                                       
CONECT   35   28   65                                                 
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
