COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.633  -0.828  -0.239  1.00  0.00           N  
HETATM    2  C   UNL     1       7.441  -1.385  -0.077  1.00  0.00           C  
HETATM    3  C   UNL     1       2.772  -0.561  -1.184  1.00  0.00           C  
HETATM    4  C   UNL     1       1.556   0.018  -0.898  1.00  0.00           C  
HETATM    5  C   UNL     1       1.392   0.756   0.270  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.413   0.553   0.186  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.081  -1.139   0.895  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.376  -1.084  -1.874  1.00  0.00           C  
HETATM    9  C   UNL     1       9.712   1.080   1.419  1.00  0.00           C  
HETATM   10  N   UNL     1       6.178  -0.879   0.254  1.00  0.00           N  
HETATM   11  O   UNL     1       8.491   0.443   1.039  1.00  0.00           O  
HETATM   12  S   UNL     1      -0.887   4.506  -0.259  1.00  0.00           S  
HETATM   13  C   UNL     1       8.591  -0.710   0.326  1.00  0.00           C  
HETATM   14  N   UNL     1       0.160   1.342   0.556  1.00  0.00           N  
HETATM   15  O   UNL     1       5.292  -1.671  -1.622  1.00  0.00           O  
HETATM   16  C   UNL     1       9.838  -1.219   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.172   1.235   0.565  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.936  -0.320  -0.428  1.00  0.00           O  
HETATM   19  C   UNL     1       9.939  -2.392  -0.724  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.208  -3.553   2.198  1.00  0.00           O  
HETATM   21  C   UNL     1       8.798  -3.062  -1.125  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.594  -2.064   1.747  1.00  0.00           N  
HETATM   23  C   UNL     1       7.550  -2.561  -0.804  1.00  0.00           C  
HETATM   24  C   UNL     1       5.147  -1.027  -0.601  1.00  0.00           C  
HETATM   25  C   UNL     1       3.842  -0.408  -0.298  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.981   0.715   0.208  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.805  -0.438   1.284  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.782  -1.418  -0.655  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.543  -1.708  -2.257  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.136  -2.666  -1.446  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.568  -3.013  -0.239  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.389  -2.393   0.167  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.737  -2.722   1.444  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.227   2.482   1.331  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.284   3.652   0.383  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.402   4.200  -0.096  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.207   5.269  -0.953  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.930   5.590  -1.170  1.00  0.00           C  
HETATM   39  C   UNL     1       2.456   0.910   1.154  1.00  0.00           C  
HETATM   40  C   UNL     1       3.674   0.333   0.875  1.00  0.00           C  
HETATM   41  H   UNL     1       2.897  -1.137  -2.089  1.00  0.00           H  
HETATM   42  H   UNL     1       0.729  -0.099  -1.582  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.207   1.289   0.060  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.261   0.017  -0.750  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.924  -0.340  -2.512  1.00  0.00           H  
HETATM   46  H   UNL     1       9.490   1.987   1.981  1.00  0.00           H  
HETATM   47  H   UNL     1      10.297   0.402   2.040  1.00  0.00           H  
HETATM   48  H   UNL     1      10.281   1.337   0.526  1.00  0.00           H  
HETATM   49  H   UNL     1       6.045  -0.422   1.100  1.00  0.00           H  
HETATM   50  H   UNL     1       0.123   2.201   1.005  1.00  0.00           H  
HETATM   51  H   UNL     1      10.732  -0.698   0.312  1.00  0.00           H  
HETATM   52  H   UNL     1      10.912  -2.786  -0.977  1.00  0.00           H  
HETATM   53  H   UNL     1       8.882  -3.977  -1.691  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.136  -2.255   2.581  1.00  0.00           H  
HETATM   55  H   UNL     1       6.661  -3.089  -1.115  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.011  -1.173   1.411  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.957   0.099   2.220  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.001  -1.449  -3.200  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.051  -3.145  -1.764  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.035  -3.759   0.387  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.115   2.483   1.963  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.337   2.564   1.956  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.385   3.836   0.165  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.026   5.803  -1.412  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.589   6.393  -1.807  1.00  0.00           H  
HETATM   66  H   UNL     1       2.325   1.483   2.060  1.00  0.00           H  
HETATM   67  H   UNL     1       4.499   0.453   1.562  1.00  0.00           H  
CONECT    1    7    7   28                                            
CONECT    2   13   13   23   10                                       
CONECT    3    4    4   25   41                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4   14   39   39                                       
CONECT    6   17   27   43   44                                       
CONECT    7   27    1    1   22                                       
CONECT    8   28   28   29   45                                       
CONECT    9   11   46   47   48                                       
CONECT   10    2   24   49                                            
CONECT   11    9   13                                                 
CONECT   12   38   35                                                 
CONECT   13   16   11    2    2                                       
CONECT   14    5   26   50                                            
CONECT   15   24   24                                                 
CONECT   16   19   19   13   51                                       
CONECT   17   34   26    6                                            
CONECT   18   26   26                                                 
CONECT   19   16   16   21   52                                       
CONECT   20   33   33                                                 
CONECT   21   19   23   23   53                                       
CONECT   22    7   33   54                                            
CONECT   23   21   21    2   55                                       
CONECT   24   10   25   15   15                                       
CONECT   25    3   24   40   40                                       
CONECT   26   14   17   18   18                                       
CONECT   27    6    7   56   57                                       
CONECT   28    1    8    8   32                                       
CONECT   29    8   30   30   58                                       
CONECT   30   29   29   31   59                                       
CONECT   31   32   32   30   60                                       
CONECT   32   28   33   31   31                                       
CONECT   33   22   32   20   20                                       
CONECT   34   35   17   61   62                                       
CONECT   35   36   36   12   34                                       
CONECT   36   37   35   35   63                                       
CONECT   37   38   38   36   64                                       
CONECT   38   37   37   12   65                                       
CONECT   39    5    5   40   66                                       
CONECT   40   25   25   39   67                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
