COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.317  -1.602  -2.647  1.00  0.00           C  
HETATM    2  C   UNL     1       4.519  -0.700  -0.531  1.00  0.00           C  
HETATM    3  C   UNL     1       4.717  -2.985  -0.794  1.00  0.00           C  
HETATM    4  N   UNL     1       2.161  -0.623   1.812  1.00  0.00           N  
HETATM    5  C   UNL     1       4.774   1.874  -1.545  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.909   0.005  -0.650  1.00  0.00           N  
HETATM    7  C   UNL     1       4.984  -0.488  -1.853  1.00  0.00           C  
HETATM    8  O   UNL     1       3.313   1.473   2.419  1.00  0.00           O  
HETATM    9  S   UNL     1       3.606   0.179   1.910  1.00  0.00           S  
HETATM   10  O   UNL     1       4.518  -0.714   2.535  1.00  0.00           O  
HETATM   11  C   UNL     1       4.187   0.411   0.263  1.00  0.00           C  
HETATM   12  N   UNL     1       4.404  -1.945  -0.059  1.00  0.00           N  
HETATM   13  C   UNL     1       5.175  -2.846  -2.102  1.00  0.00           C  
HETATM   14  C   UNL     1       5.105   0.822  -2.344  1.00  0.00           C  
HETATM   15  C   UNL     1       4.316   1.667  -0.244  1.00  0.00           C  
HETATM   16  C   UNL     1       1.065  -0.011   1.214  1.00  0.00           C  
HETATM   17  C   UNL     1       0.751   1.309   1.526  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.333   1.918   0.936  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.118   1.210   0.021  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.800  -0.115  -0.291  1.00  0.00           C  
HETATM   21  C   UNL     1       0.289  -0.717   0.299  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.281   1.860  -0.613  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.252   3.049  -0.861  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.375   1.134  -0.918  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.496   1.733  -1.658  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.792   1.449  -0.891  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.816  -0.483   0.202  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.480  -0.278  -0.520  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.217  -0.329  -0.071  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.400  -1.848  -0.065  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.524  -2.539   1.294  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.753  -2.395   0.394  1.00  0.00           C  
HETATM   33  H   UNL     1       5.670  -1.475  -3.659  1.00  0.00           H  
HETATM   34  H   UNL     1       4.610  -3.975  -0.376  1.00  0.00           H  
HETATM   35  H   UNL     1       2.078  -1.520   2.172  1.00  0.00           H  
HETATM   36  H   UNL     1       4.867   2.881  -1.923  1.00  0.00           H  
HETATM   37  H   UNL     1       5.417  -3.722  -2.686  1.00  0.00           H  
HETATM   38  H   UNL     1       5.458   0.995  -3.350  1.00  0.00           H  
HETATM   39  H   UNL     1       4.060   2.518   0.370  1.00  0.00           H  
HETATM   40  H   UNL     1       1.357   1.855   2.233  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.577   2.941   1.179  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.405  -0.665  -0.997  1.00  0.00           H  
HETATM   43  H   UNL     1       0.538  -1.739   0.055  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.347   2.810  -1.739  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.553   1.295  -2.654  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.645   1.789  -1.479  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.774   1.977   0.062  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.811   0.072   1.140  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.960  -1.543   0.407  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.441  -0.912  -1.406  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.659  -0.531   0.151  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.268   0.047   0.951  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.006   0.130  -0.667  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.882  -2.386  -0.859  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.089  -3.533   1.395  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.476  -1.912   2.184  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.513  -1.672   0.691  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.125  -3.293  -0.098  1.00  0.00           H  
CONECT    1   13   13    7   33                                       
CONECT    2    7    7   11   12                                       
CONECT    3   12   12   13   34                                       
CONECT    4    9   16   35                                            
CONECT    5   15   14   14   36                                       
CONECT    6   27   29   26                                            
CONECT    7   14    2    2    1                                       
CONECT    8    9    9                                                 
CONECT    9   10   10   11    4                                       
CONECT    9    8    8                                                 
CONECT   10    9    9                                                 
CONECT   11    9   15   15    2                                       
CONECT   12    2    3    3                                            
CONECT   13    3    1    1   37                                       
CONECT   14    5    5    7   38                                       
CONECT   15   11   11    5   39                                       
CONECT   16    4   21   21   17                                       
CONECT   17   18   18   16   40                                       
CONECT   18   19   17   17   41                                       
CONECT   19   20   20   22   18                                       
CONECT   20   21   19   19   42                                       
CONECT   21   16   16   20   43                                       
CONECT   22   19   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   28   25                                            
CONECT   25   26   24   44   45                                       
CONECT   26    6   25   46   47                                       
CONECT   27   28    6   48   49                                       
CONECT   28   24   27   50   51                                       
CONECT   29    6   30   52   53                                       
CONECT   30   29   32   31   54                                       
CONECT   31   32   30   55   56                                       
CONECT   32   30   31   57   58                                       
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
