COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.833  -1.036   0.461  1.00  0.00           N  
HETATM    2  N   UNL     1       2.054  -3.508  -1.079  1.00  0.00           N  
HETATM    3  C   UNL     1       5.325   2.726   0.921  1.00  0.00           C  
HETATM    4  C   UNL     1       4.311   1.811   0.722  1.00  0.00           C  
HETATM    5  C   UNL     1       4.592   0.565   0.156  1.00  0.00           C  
HETATM    6  C   UNL     1       3.505  -0.415  -0.055  1.00  0.00           C  
HETATM    7  C   UNL     1       2.200  -0.218   0.259  1.00  0.00           C  
HETATM    8  C   UNL     1       0.150  -1.860  -0.056  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.830   0.817   1.256  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.879   1.870   0.539  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.320  -0.338  -0.205  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.753   3.084   0.646  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.435  -2.319   1.791  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.848  -2.906   1.789  1.00  0.00           C  
HETATM   15  C   UNL     1       0.790  -3.865  -1.001  1.00  0.00           C  
HETATM   16  C   UNL     1       5.898   0.247  -0.208  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.256  -0.580  -0.764  1.00  0.00           O  
HETATM   18  S   UNL     1      -6.654   0.641  -1.168  1.00  0.00           S  
HETATM   19  O   UNL     1      -6.212   0.836  -2.505  1.00  0.00           O  
HETATM   20  C   UNL     1      -7.643   2.060  -0.608  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.696   3.267  -0.531  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.686   1.897   1.261  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.183   0.748  -0.196  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.148  -0.310   0.522  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.222  -1.499   0.517  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.261  -1.415   3.013  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.146  -3.075  -0.506  1.00  0.00           N  
HETATM   28  C   UNL     1       2.451  -2.310  -0.653  1.00  0.00           C  
HETATM   29  C   UNL     1       1.488  -1.433  -0.118  1.00  0.00           C  
HETATM   30  N   UNL     1       3.660  -1.670  -0.603  1.00  0.00           N  
HETATM   31  C   UNL     1       6.621   2.420   0.556  1.00  0.00           C  
HETATM   32  C   UNL     1       6.917   1.176  -0.006  1.00  0.00           C  
HETATM   33  C   UNL     1       8.306   0.850  -0.395  1.00  0.00           C  
HETATM   34  O   UNL     1       8.561  -0.233  -0.884  1.00  0.00           O  
HETATM   35  N   UNL     1       9.288   1.754  -0.208  1.00  0.00           N  
HETATM   36  C   UNL     1      10.664   1.431  -0.594  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.603  -0.153   0.790  1.00  0.00           H  
HETATM   38  H   UNL     1       5.102   3.688   1.359  1.00  0.00           H  
HETATM   39  H   UNL     1       3.299   2.058   1.006  1.00  0.00           H  
HETATM   40  H   UNL     1       1.771   0.669   0.703  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.911   0.854   1.821  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.574  -1.219  -0.776  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.346   3.007   1.557  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.117   3.966   0.722  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.706  -3.127   1.830  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.578  -2.097   1.750  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.973  -3.550   0.918  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.001  -3.490   2.697  1.00  0.00           H  
HETATM   49  H   UNL     1       0.506  -4.844  -1.357  1.00  0.00           H  
HETATM   50  H   UNL     1       6.121  -0.715  -0.646  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.443   2.260  -1.320  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.065   1.854   0.376  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.277   4.179  -0.394  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.118   3.336  -1.453  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.430   2.776   1.833  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.433  -2.120  -0.354  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.991  -0.606   2.975  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.413  -1.999   3.921  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.255  -0.997   3.015  1.00  0.00           H  
HETATM   60  H   UNL     1       4.501  -2.045  -0.909  1.00  0.00           H  
HETATM   61  H   UNL     1       7.410   3.141   0.714  1.00  0.00           H  
HETATM   62  H   UNL     1       9.084   2.618   0.182  1.00  0.00           H  
HETATM   63  H   UNL     1      11.001   0.556  -0.038  1.00  0.00           H  
HETATM   64  H   UNL     1      10.701   1.219  -1.662  1.00  0.00           H  
HETATM   65  H   UNL     1      11.312   2.277  -0.368  1.00  0.00           H  
CONECT    1    8   25   37                                            
CONECT    2   15   28   28                                            
CONECT    3   31    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6   16   16                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6   29   40                                       
CONECT    8   29   29    1   27                                       
CONECT    9   24   24   22   41                                       
CONECT   10   22   22   23   12                                       
CONECT   11   23   23   24   42                                       
CONECT   12   21   10   43   44                                       
CONECT   13   25   14   26   45                                       
CONECT   14   13   46   47   48                                       
CONECT   15   27   27    2   49                                       
CONECT   16    5    5   32   50                                       
CONECT   17   18   18                                                 
CONECT   18   23   19   19   17                                       
CONECT   18   17   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   21   51   52                                       
CONECT   21   20   12   53   54                                       
CONECT   22    9   10   10   55                                       
CONECT   23   10   11   11   18                                       
CONECT   24   25    9    9   11                                       
CONECT   25    1   24   13   56                                       
CONECT   26   13   57   58   59                                       
CONECT   27    8   15   15                                            
CONECT   28    2    2   29   30                                       
CONECT   29    7    8    8   28                                       
CONECT   30   28    6   60                                            
CONECT   31   32   32    3   61                                       
CONECT   32   33   31   31   16                                       
CONECT   33   35   34   34   32                                       
CONECT   34   33   33                                                 
CONECT   35   36   33   62                                            
CONECT   36   35   63   64   65                                       
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
