COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.636  -2.716   0.308  1.00  0.00           O  
HETATM    2  C   UNL     1       2.863  -1.594   0.708  1.00  0.00           C  
HETATM    3  N   UNL     1       4.018  -1.328   1.350  1.00  0.00           N  
HETATM    4  C   UNL     1       4.321   0.020   1.852  1.00  0.00           C  
HETATM    5  C   UNL     1       5.751   0.356   1.532  1.00  0.00           C  
HETATM    6  C   UNL     1       6.619  -0.524   1.094  1.00  0.00           C  
HETATM    7  C   UNL     1       7.999  -0.062   0.836  1.00  0.00           C  
HETATM    8  C   UNL     1       8.795   0.384   1.893  1.00  0.00           C  
HETATM    9  C   UNL     1      10.080   0.814   1.653  1.00  0.00           C  
HETATM   10  C   UNL     1      10.588   0.804   0.353  1.00  0.00           C  
HETATM   11  C   UNL     1      11.973   1.268   0.095  1.00  0.00           C  
HETATM   12  N   UNL     1      12.562   1.306  -1.081  1.00  0.00           N  
HETATM   13  N   UNL     1      13.856   1.807  -0.867  1.00  0.00           N  
HETATM   14  C   UNL     1      14.888   2.030  -1.883  1.00  0.00           C  
HETATM   15  C   UNL     1      13.963   2.043   0.453  1.00  0.00           C  
HETATM   16  N   UNL     1      12.830   1.722   1.020  1.00  0.00           N  
HETATM   17  C   UNL     1       9.793   0.359  -0.703  1.00  0.00           C  
HETATM   18  C   UNL     1       8.509  -0.077  -0.463  1.00  0.00           C  
HETATM   19  C   UNL     1       6.305  -1.968   0.837  1.00  0.00           C  
HETATM   20  C   UNL     1       5.025  -2.378   1.581  1.00  0.00           C  
HETATM   21  C   UNL     1       1.856  -0.495   0.483  1.00  0.00           C  
HETATM   22  N   UNL     1       0.696  -1.035  -0.238  1.00  0.00           N  
HETATM   23  C   UNL     1       1.018  -1.267  -1.669  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.353  -1.297  -2.377  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.417  -0.051  -0.269  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.297  -0.497  -1.456  1.00  0.00           C  
HETATM   27  S   UNL     1      -1.955   0.950  -2.332  1.00  0.00           S  
HETATM   28  C   UNL     1      -2.794   0.214  -3.762  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.423  -1.374  -0.972  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.368  -2.575  -1.131  1.00  0.00           O  
HETATM   31  N   UNL     1      -3.492  -0.823  -0.363  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.619  -1.607  -0.082  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.859  -1.009   0.040  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.485  -2.987   0.067  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.573  -3.768   0.336  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.833  -3.190   0.463  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.977  -1.798   0.319  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.083  -3.695   0.723  1.00  0.00           N  
HETATM   39  N   UNL     1      -9.010  -2.648   0.740  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.403  -1.509   0.508  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.042  -0.173   0.446  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.335  -0.027  -0.071  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.888   1.238  -0.108  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.367   0.955   0.906  1.00  0.00           C  
HETATM   45  N   UNL     1      -8.932   2.144   0.853  1.00  0.00           N  
HETATM   46  C   UNL     1     -10.150   2.316   0.365  1.00  0.00           C  
HETATM   47  O   UNL     1     -10.688   3.561   0.331  1.00  0.00           O  
HETATM   48  C   UNL     1      -9.881   4.630   0.831  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.043   5.213  -0.308  1.00  0.00           C  
HETATM   50  C   UNL     1     -10.783   5.721   1.411  1.00  0.00           C  
HETATM   51  H   UNL     1       3.661   0.744   1.373  1.00  0.00           H  
HETATM   52  H   UNL     1       4.172   0.049   2.931  1.00  0.00           H  
HETATM   53  H   UNL     1       6.081   1.375   1.671  1.00  0.00           H  
HETATM   54  H   UNL     1       8.402   0.393   2.899  1.00  0.00           H  
HETATM   55  H   UNL     1      10.696   1.160   2.470  1.00  0.00           H  
HETATM   56  H   UNL     1      14.796   3.042  -2.278  1.00  0.00           H  
HETATM   57  H   UNL     1      15.873   1.903  -1.435  1.00  0.00           H  
HETATM   58  H   UNL     1      14.762   1.312  -2.693  1.00  0.00           H  
HETATM   59  H   UNL     1      14.834   2.434   0.957  1.00  0.00           H  
HETATM   60  H   UNL     1      10.187   0.352  -1.709  1.00  0.00           H  
HETATM   61  H   UNL     1       7.894  -0.422  -1.281  1.00  0.00           H  
HETATM   62  H   UNL     1       6.168  -2.122  -0.234  1.00  0.00           H  
HETATM   63  H   UNL     1       7.133  -2.585   1.186  1.00  0.00           H  
HETATM   64  H   UNL     1       5.228  -2.465   2.648  1.00  0.00           H  
HETATM   65  H   UNL     1       4.661  -3.329   1.195  1.00  0.00           H  
HETATM   66  H   UNL     1       1.533  -0.095   1.444  1.00  0.00           H  
HETATM   67  H   UNL     1       2.312   0.300  -0.107  1.00  0.00           H  
HETATM   68  H   UNL     1       1.629  -0.453  -2.058  1.00  0.00           H  
HETATM   69  H   UNL     1       1.533  -2.220  -1.793  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.285  -0.821  -3.355  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.704  -2.324  -2.479  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.984  -0.089   0.660  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.030   0.954  -0.437  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.092  -0.412  -4.313  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.631  -0.394  -3.419  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.163   1.007  -4.413  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.481   0.116  -0.119  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.962   0.059  -0.080  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.511  -3.443  -0.031  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.455  -4.836   0.445  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.291  -4.631   0.869  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.885  -0.883  -0.432  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.883   1.388  -0.500  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.371   0.854   1.310  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.220   4.252   1.612  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.401   4.436  -0.721  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.704   5.591  -1.089  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.428   6.028   0.073  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.380   5.306   2.223  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.168   6.536   1.793  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.444   6.099   0.631  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   21                                       
CONECT    3    4    2   20                                            
CONECT    4    5    3   51   52                                       
CONECT    5    4    6    6   53                                       
CONECT    6    5    5    7   19                                       
CONECT    7   18    6    8    8                                       
CONECT    8    7    7    9   54                                       
CONECT    9   10   10    8   55                                       
CONECT   10   17   11    9    9                                       
CONECT   11   16   10   12   12                                       
CONECT   12   11   11   13                                            
CONECT   13   15   12   14                                            
CONECT   14   13   56   57   58                                       
CONECT   15   16   16   13   59                                       
CONECT   16   15   15   11                                            
CONECT   17   18   18   10   60                                       
CONECT   18   17   17    7   61                                       
CONECT   19    6   20   62   63                                       
CONECT   20    3   19   64   65                                       
CONECT   21    2   22   66   67                                       
CONECT   22   23   21   25                                            
CONECT   23   24   22   68   69                                       
CONECT   24   23   26   70   71                                       
CONECT   25   22   26   72   73                                       
CONECT   26   24   29   25   27                                       
CONECT   27   26   28                                                 
CONECT   28   27   74   75   76                                       
CONECT   29   30   30   31   26                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   77                                            
CONECT   32   34   34   33   31                                       
CONECT   33   37   37   32   78                                       
CONECT   34   35   32   32   79                                       
CONECT   35   36   36   34   80                                       
CONECT   36   38   35   35   37                                       
CONECT   37   36   40   33   33                                       
CONECT   38   39   36   81                                            
CONECT   39   38   40   40                                            
CONECT   40   39   39   37   41                                       
CONECT   41   40   42   42   44                                       
CONECT   42   41   41   43   82                                       
CONECT   43   42   46   46   83                                       
CONECT   44   41   45   45   84                                       
CONECT   45   44   44   46                                            
CONECT   46   43   43   45   47                                       
CONECT   47   48   46                                                 
CONECT   48   50   47   49   85                                       
CONECT   49   48   86   87   88                                       
CONECT   50   48   89   90   91                                       
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   38                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
CONECT   87   49                                                      
CONECT   88   49                                                      
CONECT   89   50                                                      
CONECT   90   50                                                      
CONECT   91   50                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
