COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.861  -0.849  -0.810  1.00  0.00           N  
HETATM    2  C   UNL     1       9.679   0.615  -2.428  1.00  0.00           C  
HETATM    3  O   UNL     1       3.834   1.750   2.290  1.00  0.00           O  
HETATM    4  N   UNL     1      -0.102  -1.306   2.846  1.00  0.00           N  
HETATM    5  C   UNL     1      10.323   0.777  -0.125  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.805  -1.182   0.007  1.00  0.00           N  
HETATM    7  C   UNL     1       9.015   0.562   0.259  1.00  0.00           C  
HETATM    8  C   UNL     1       8.031   0.372  -0.703  1.00  0.00           C  
HETATM    9  C   UNL     1       3.659   0.799   1.552  1.00  0.00           C  
HETATM   10  C   UNL     1       4.752   0.332   0.680  1.00  0.00           C  
HETATM   11  C   UNL     1       6.020   0.872   0.595  1.00  0.00           C  
HETATM   12  C   UNL     1       4.698  -0.752  -0.225  1.00  0.00           C  
HETATM   13  N   UNL     1       6.702   0.154  -0.315  1.00  0.00           N  
HETATM   14  C   UNL     1      10.655   0.804  -1.468  1.00  0.00           C  
HETATM   15  C   UNL     1       8.368   0.400  -2.049  1.00  0.00           C  
HETATM   16  C   UNL     1       7.304   0.194  -3.097  1.00  0.00           C  
HETATM   17  N   UNL     1       2.466   0.173   1.531  1.00  0.00           N  
HETATM   18  C   UNL     1       1.380   0.637   2.398  1.00  0.00           C  
HETATM   19  C   UNL     1       0.163  -0.226   2.184  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.062   0.082   1.033  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.923  -1.367   1.547  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.203  -1.945   2.540  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.192  -1.859   0.999  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.691  -2.877   1.440  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.073  -1.674  -0.539  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.794  -2.700  -1.607  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.650  -2.993  -1.884  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.817  -3.294  -2.254  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.853  -0.506  -1.146  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.244   0.476  -0.039  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.024   1.643  -0.646  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.307   2.686   0.438  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.087   3.853  -0.168  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.411   3.340  -0.739  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.128   2.298  -1.823  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.348   1.130  -1.217  1.00  0.00           C  
HETATM   37  H   UNL     1       9.940   0.641  -3.476  1.00  0.00           H  
HETATM   38  H   UNL     1      11.088   0.925   0.623  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.408  -0.370  -0.344  1.00  0.00           H  
HETATM   40  H   UNL     1       8.756   0.541   1.308  1.00  0.00           H  
HETATM   41  H   UNL     1       6.395   1.716   1.155  1.00  0.00           H  
HETATM   42  H   UNL     1       3.844  -1.389  -0.402  1.00  0.00           H  
HETATM   43  H   UNL     1      11.679   0.973  -1.766  1.00  0.00           H  
HETATM   44  H   UNL     1       7.155  -0.873  -3.259  1.00  0.00           H  
HETATM   45  H   UNL     1       6.371   0.645  -2.760  1.00  0.00           H  
HETATM   46  H   UNL     1       7.618   0.663  -4.030  1.00  0.00           H  
HETATM   47  H   UNL     1       2.327  -0.585   0.942  1.00  0.00           H  
HETATM   48  H   UNL     1       1.693   0.572   3.440  1.00  0.00           H  
HETATM   49  H   UNL     1       1.138   1.672   2.155  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.510  -2.855   3.034  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.660  -2.129   0.258  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.732  -3.060  -2.033  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.638  -3.954  -2.941  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.231   0.004  -1.881  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.753  -0.884  -1.631  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.866  -0.034   0.696  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.343   0.853   0.446  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.437   2.099  -1.443  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.894   2.231   1.235  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.364   3.051   0.845  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.289   4.596   0.604  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.500   4.308  -0.965  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.999   2.885   0.058  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.967   4.172  -1.171  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.071   1.932  -2.230  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.541   2.753  -2.621  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.147   0.388  -1.989  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.936   0.675  -0.419  1.00  0.00           H  
CONECT    1   12   12   13                                            
CONECT    2   14   14   15   37                                       
CONECT    3    9    9                                                 
CONECT    4   19   19   22                                            
CONECT    5   14    7    7   38                                       
CONECT    6   23   25   39                                            
CONECT    7    5    5    8   40                                       
CONECT    8   15   15    7   13                                       
CONECT    9   10   17    3    3                                       
CONECT   10   12   11   11    9                                       
CONECT   11   13   10   10   41                                       
CONECT   12    1    1   10   42                                       
CONECT   13    1    8   11                                            
CONECT   14    2    2    5   43                                       
CONECT   15    2   16    8    8                                       
CONECT   16   15   44   45   46                                       
CONECT   17    9   18   47                                            
CONECT   18   17   19   48   49                                       
CONECT   19   18   20    4    4                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   22    4   21   21   50                                       
CONECT   23   21   24   24    6                                       
CONECT   24   23   23                                                 
CONECT   25    6   29   26   51                                       
CONECT   26   25   28   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   26   52   53                                            
CONECT   29   30   25   54   55                                       
CONECT   30   31   29   56   57                                       
CONECT   31   36   32   30   58                                       
CONECT   32   33   31   59   60                                       
CONECT   33   34   32   61   62                                       
CONECT   34   35   33   63   64                                       
CONECT   35   34   36   65   66                                       
CONECT   36   35   31   67   68                                       
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
