COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.102  -1.255  -0.825  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.498   0.591  -0.834  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.239  -0.434   0.027  1.00  0.00           C  
HETATM    4  N   UNL     1       2.940  -5.699   0.701  1.00  0.00           N1+
HETATM    5  C   UNL     1     -11.845  -2.144   1.100  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.428   4.198   0.877  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.560   3.829   2.365  1.00  0.00           C  
HETATM    8  O   UNL     1       3.538   1.205  -3.972  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.855   2.473  -0.805  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.596   1.448   0.056  1.00  0.00           C  
HETATM   11  N   UNL     1       9.470   1.170   0.213  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.272   4.268  -0.684  1.00  0.00           C  
HETATM   13  O   UNL     1     -11.492  -3.188  -1.329  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.410   5.061   0.301  1.00  0.00           C  
HETATM   15  O   UNL     1      -9.621  -3.369   0.280  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.565   4.843   1.816  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.684   3.374   1.283  1.00  0.00           N  
HETATM   18  C   UNL     1       0.286   2.472   1.535  1.00  0.00           C  
HETATM   19  O   UNL     1       0.433   2.036   2.660  1.00  0.00           O  
HETATM   20  C   UNL     1       1.171   2.013   0.441  1.00  0.00           C  
HETATM   21  C   UNL     1       1.004   2.519  -0.850  1.00  0.00           C  
HETATM   22  C   UNL     1       1.826   2.097  -1.876  1.00  0.00           C  
HETATM   23  C   UNL     1       2.828   1.161  -1.630  1.00  0.00           C  
HETATM   24  C   UNL     1       3.706   0.711  -2.730  1.00  0.00           C  
HETATM   25  C   UNL     1       3.003   0.646  -0.330  1.00  0.00           C  
HETATM   26  C   UNL     1       4.061  -0.345  -0.062  1.00  0.00           C  
HETATM   27  C   UNL     1       3.754  -1.705   0.129  1.00  0.00           C  
HETATM   28  C   UNL     1       2.417  -2.155   0.068  1.00  0.00           C  
HETATM   29  C   UNL     1       2.137  -3.465   0.254  1.00  0.00           C  
HETATM   30  C   UNL     1       3.217  -4.413   0.518  1.00  0.00           C  
HETATM   31  C   UNL     1       1.552  -6.164   0.638  1.00  0.00           C  
HETATM   32  C   UNL     1       4.021  -6.651   0.965  1.00  0.00           C  
HETATM   33  C   UNL     1       4.554  -3.967   0.580  1.00  0.00           C  
HETATM   34  C   UNL     1       4.841  -2.647   0.392  1.00  0.00           C  
HETATM   35  C   UNL     1       5.472   0.052   0.009  1.00  0.00           C  
HETATM   36  C   UNL     1       5.840   1.392  -0.177  1.00  0.00           C  
HETATM   37  C   UNL     1       7.153   1.752  -0.109  1.00  0.00           C  
HETATM   38  C   UNL     1       6.455  -0.922   0.267  1.00  0.00           C  
HETATM   39  C   UNL     1       7.786  -0.539   0.333  1.00  0.00           C  
HETATM   40  C   UNL     1       8.135   0.791   0.146  1.00  0.00           C  
HETATM   41  C   UNL     1      10.515   0.153   0.354  1.00  0.00           C  
HETATM   42  C   UNL     1       9.834   2.588   0.143  1.00  0.00           C  
HETATM   43  C   UNL     1       2.173   1.081   0.703  1.00  0.00           C  
HETATM   44  O   UNL     1      -6.013   3.274   0.026  1.00  0.00           O  
HETATM   45  O   UNL     1       4.580  -0.105  -2.514  1.00  0.00           O  
HETATM   46  O   UNL     1       6.120  -2.217   0.449  1.00  0.00           O  
HETATM   47  S   UNL     1     -10.741  -2.667  -0.241  1.00  0.00           S  
HETATM   48  H   UNL     1     -10.303  -0.970  -1.730  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.890   0.071  -1.574  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.221   1.230  -1.341  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.847   0.086   0.767  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.516  -1.073   0.534  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.314  -3.020   1.547  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.269  -1.613   1.859  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.614  -1.483   0.701  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.961   4.298   3.146  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.096   2.976   2.782  1.00  0.00           H  
HETATM   58  H   UNL     1       4.137   0.880  -4.659  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.247   1.954  -1.546  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.578   3.112  -1.312  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.205   1.968   0.796  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.873   0.809   0.563  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.962   4.944  -1.188  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.631   3.786  -1.421  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.041   5.470   1.089  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.913   5.876  -0.226  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.030   5.653   1.321  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.159   5.247   2.636  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.801   3.722   0.385  1.00  0.00           H  
HETATM   70  H   UNL     1       0.229   3.244  -1.047  1.00  0.00           H  
HETATM   71  H   UNL     1       1.691   2.493  -2.872  1.00  0.00           H  
HETATM   72  H   UNL     1       1.619  -1.453  -0.126  1.00  0.00           H  
HETATM   73  H   UNL     1       1.115  -3.810   0.208  1.00  0.00           H  
HETATM   74  H   UNL     1       1.522  -7.240   0.811  1.00  0.00           H  
HETATM   75  H   UNL     1       0.964  -5.656   1.402  1.00  0.00           H  
HETATM   76  H   UNL     1       1.139  -5.943  -0.346  1.00  0.00           H  
HETATM   77  H   UNL     1       4.390  -7.053   0.021  1.00  0.00           H  
HETATM   78  H   UNL     1       4.832  -6.144   1.487  1.00  0.00           H  
HETATM   79  H   UNL     1       3.644  -7.466   1.584  1.00  0.00           H  
HETATM   80  H   UNL     1       5.351  -4.671   0.775  1.00  0.00           H  
HETATM   81  H   UNL     1       5.085   2.138  -0.375  1.00  0.00           H  
HETATM   82  H   UNL     1       7.436   2.784  -0.253  1.00  0.00           H  
HETATM   83  H   UNL     1       8.552  -1.275   0.530  1.00  0.00           H  
HETATM   84  H   UNL     1      10.703  -0.031   1.411  1.00  0.00           H  
HETATM   85  H   UNL     1      10.188  -0.772  -0.123  1.00  0.00           H  
HETATM   86  H   UNL     1      11.430   0.503  -0.123  1.00  0.00           H  
HETATM   87  H   UNL     1       8.941   3.183  -0.050  1.00  0.00           H  
HETATM   88  H   UNL     1      10.278   2.896   1.089  1.00  0.00           H  
HETATM   89  H   UNL     1      10.552   2.739  -0.663  1.00  0.00           H  
HETATM   90  H   UNL     1       2.303   0.694   1.702  1.00  0.00           H  
CONECT    1    3   47   48                                            
CONECT    2   10    3   49   50                                       
CONECT    3    2    1   51   52                                       
CONECT    4   30   30   31   32                                       
CONECT    5   47   53   54   55                                       
CONECT    6   14   16                                                 
CONECT    7   16   17   56   57                                       
CONECT    8   24   58                                                 
CONECT    9   44   10   59   60                                       
CONECT   10    9    2   61   62                                       
CONECT   11   41   40   42                                            
CONECT   12   44   14   63   64                                       
CONECT   13   47   47                                                 
CONECT   14   12    6   65   66                                       
CONECT   15   47   47                                                 
CONECT   16    6    7   67   68                                       
CONECT   17    7   18   69                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   43   43                                       
CONECT   21   22   22   20   70                                       
CONECT   22   21   21   23   71                                       
CONECT   23   22   24   25   25                                       
CONECT   24   45   45   23    8                                       
CONECT   25   23   23   43   26                                       
CONECT   26   25   35   27   27                                       
CONECT   27   26   26   28   34                                       
CONECT   28   27   29   29   72                                       
CONECT   29   28   28   30   73                                       
CONECT   30   29   33    4    4                                       
CONECT   31    4   74   75   76                                       
CONECT   32    4   77   78   79                                       
CONECT   33   34   34   30   80                                       
CONECT   34   27   46   33   33                                       
CONECT   35   36   26   38   38                                       
CONECT   36   37   37   35   81                                       
CONECT   37   36   36   40   82                                       
CONECT   38   35   35   39   46                                       
CONECT   39   40   40   38   83                                       
CONECT   40   37   11   39   39                                       
CONECT   41   11   84   85   86                                       
CONECT   42   11   87   88   89                                       
CONECT   43   20   20   25   90                                       
CONECT   44   12    9                                                 
CONECT   45   24   24                                                 
CONECT   46   38   34                                                 
CONECT   47    5   13   13    1                                       
CONECT   47   15   15                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
