COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.834  -0.228   0.639  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.028  -0.465  -0.309  1.00  0.00           C  
HETATM    3  O   UNL     1       3.933  -3.596  -0.535  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.488   0.961  -0.703  1.00  0.00           C  
HETATM    5  C   UNL     1       4.962  -1.255  -0.541  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.583  -1.246  -1.547  1.00  0.00           C  
HETATM    7  C   UNL     1       5.363  -0.070   0.098  1.00  0.00           C  
HETATM    8  C   UNL     1       5.916   0.982  -0.673  1.00  0.00           C  
HETATM    9  C   UNL     1       6.054   0.821  -2.060  1.00  0.00           C  
HETATM   10  C   UNL     1       5.654  -0.342  -2.647  1.00  0.00           C  
HETATM   11  C   UNL     1       5.110  -1.377  -1.889  1.00  0.00           C  
HETATM   12  C   UNL     1       6.319   2.173  -0.031  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.459  -0.678   0.771  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.307   1.755   0.614  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.011   1.183   1.225  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.573  -0.308  -0.111  1.00  0.00           N  
HETATM   17  O   UNL     1      -8.723  -1.554  -2.351  1.00  0.00           O  
HETATM   18  O   UNL     1      -7.658   1.492  -1.738  1.00  0.00           O  
HETATM   19  O   UNL     1      -8.161   3.150   0.340  1.00  0.00           O  
HETATM   20  O   UNL     1      -7.132   1.111   2.648  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.166  -0.751  -0.043  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.005  -1.137   0.876  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.712  -1.210   0.061  1.00  0.00           C  
HETATM   24  C   UNL     1       0.449  -1.595   0.980  1.00  0.00           C  
HETATM   25  C   UNL     1       1.742  -1.668   0.165  1.00  0.00           C  
HETATM   26  N   UNL     1       2.853  -2.037   1.045  1.00  0.00           N  
HETATM   27  S   UNL     1       4.278  -2.580   0.397  1.00  0.00           S  
HETATM   28  O   UNL     1       5.160  -2.795   1.490  1.00  0.00           O  
HETATM   29  C   UNL     1       6.166   2.290   1.334  1.00  0.00           C  
HETATM   30  C   UNL     1       5.621   1.249   2.082  1.00  0.00           C  
HETATM   31  C   UNL     1       5.224   0.091   1.488  1.00  0.00           C  
HETATM   32  N   UNL     1       6.866   3.220  -0.769  1.00  0.00           N  
HETATM   33  C   UNL     1       6.007   4.410  -0.711  1.00  0.00           C  
HETATM   34  C   UNL     1       8.228   3.530  -0.313  1.00  0.00           C  
HETATM   35  H   UNL     1      -6.840  -0.969   1.439  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.827  -0.996   0.209  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.534   0.957  -1.012  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.883  -0.642  -2.125  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.096  -2.171  -1.237  1.00  0.00           H  
HETATM   40  H   UNL     1       6.474   1.615  -2.660  1.00  0.00           H  
HETATM   41  H   UNL     1       5.761  -0.463  -3.715  1.00  0.00           H  
HETATM   42  H   UNL     1       4.802  -2.289  -2.378  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.352   0.071   1.556  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.659  -1.650   1.222  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.151   1.585   1.281  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.162   1.810   0.954  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.652  -0.952  -0.883  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.515  -2.049  -3.155  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.905   2.383  -2.021  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.044   3.695   1.130  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.267   1.967   3.075  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.273  -1.500  -0.828  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.965   0.221  -0.494  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.898  -0.387   1.660  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.206  -2.109   1.327  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.819  -1.959  -0.723  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.511  -0.238  -0.390  1.00  0.00           H  
HETATM   58  H   UNL     1       0.556  -0.846   1.764  1.00  0.00           H  
HETATM   59  H   UNL     1       0.248  -2.567   1.431  1.00  0.00           H  
HETATM   60  H   UNL     1       1.635  -2.417  -0.619  1.00  0.00           H  
HETATM   61  H   UNL     1       1.943  -0.696  -0.286  1.00  0.00           H  
HETATM   62  H   UNL     1       2.755  -1.963   2.007  1.00  0.00           H  
HETATM   63  H   UNL     1       6.473   3.199   1.830  1.00  0.00           H  
HETATM   64  H   UNL     1       5.511   1.364   3.150  1.00  0.00           H  
HETATM   65  H   UNL     1       4.803  -0.705   2.084  1.00  0.00           H  
HETATM   66  H   UNL     1       5.901   4.731   0.325  1.00  0.00           H  
HETATM   67  H   UNL     1       6.458   5.212  -1.296  1.00  0.00           H  
HETATM   68  H   UNL     1       5.026   4.170  -1.119  1.00  0.00           H  
HETATM   69  H   UNL     1       8.860   2.650  -0.432  1.00  0.00           H  
HETATM   70  H   UNL     1       8.631   4.351  -0.906  1.00  0.00           H  
HETATM   71  H   UNL     1       8.202   3.819   0.738  1.00  0.00           H  
CONECT    1   15   16    2   35                                       
CONECT    2    4    1    6   36                                       
CONECT    3   27   27                                                 
CONECT    4   18   14    2   37                                       
CONECT    5   27    7    7   11                                       
CONECT    6    2   17   38   39                                       
CONECT    7   31    5    5    8                                       
CONECT    8    7   12    9    9                                       
CONECT    9    8    8   10   40                                       
CONECT   10   11   11    9   41                                       
CONECT   11    5   10   10   42                                       
CONECT   12   29   29    8   32                                       
CONECT   13   16   21   43   44                                       
CONECT   14   19   15    4   45                                       
CONECT   15   20   14    1   46                                       
CONECT   16    1   13   47                                            
CONECT   17    6   48                                                 
CONECT   18    4   49                                                 
CONECT   19   14   50                                                 
CONECT   20   15   51                                                 
CONECT   21   13   22   52   53                                       
CONECT   22   21   23   54   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   23   25   58   59                                       
CONECT   25   24   26   60   61                                       
CONECT   26   25   27   62                                            
CONECT   27   26    3    3   28                                       
CONECT   27   28    5                                                 
CONECT   28   27   27                                                 
CONECT   29   30   12   12   63                                       
CONECT   30   31   31   29   64                                       
CONECT   31   30   30    7   65                                       
CONECT   32   33   12   34                                            
CONECT   33   32   66   67   68                                       
CONECT   34   32   69   70   71                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
