COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.171   3.108  -0.752  1.00  0.00           C  
HETATM    2  C   UNL     1       4.377   1.718  -0.388  1.00  0.00           C  
HETATM    3  C   UNL     1       3.514   2.819  -0.505  1.00  0.00           C  
HETATM    4  C   UNL     1       4.078   4.079  -0.766  1.00  0.00           C  
HETATM    5  N   UNL     1       3.575   0.626  -0.148  1.00  0.00           N  
HETATM    6  C   UNL     1      -9.905  -0.962  -2.375  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.309  -0.529  -1.461  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.583  -0.002  -0.345  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.347   0.614  -0.541  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.112  -0.097   0.943  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.408   0.414   2.014  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.180   1.018   1.813  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.655   1.125   0.538  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.316   1.785   0.329  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.210   0.732   0.419  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.908   1.373   0.215  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.781   0.636   0.253  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.843  -0.558   0.454  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.442   1.295   0.043  1.00  0.00           C  
HETATM   20  S   UNL     1       0.867   0.050   0.150  1.00  0.00           S  
HETATM   21  C   UNL     1       2.280   1.067  -0.124  1.00  0.00           C  
HETATM   22  N   UNL     1       2.249   2.360  -0.334  1.00  0.00           N  
HETATM   23  N   UNL     1       3.275   5.201  -0.896  1.00  0.00           N  
HETATM   24  N   UNL     1       5.399   4.172  -0.875  1.00  0.00           N  
HETATM   25  N   UNL     1       5.686   1.906  -0.517  1.00  0.00           N  
HETATM   26  C   UNL     1       4.025  -0.755   0.045  1.00  0.00           C  
HETATM   27  O   UNL     1       3.123  -1.679  -0.600  1.00  0.00           O  
HETATM   28  C   UNL     1       3.940  -1.152   1.541  1.00  0.00           C  
HETATM   29  O   UNL     1       5.128  -0.772   2.238  1.00  0.00           O  
HETATM   30  C   UNL     1       3.816  -2.693   1.461  1.00  0.00           C  
HETATM   31  O   UNL     1       5.090  -3.309   1.662  1.00  0.00           O  
HETATM   32  C   UNL     1       3.309  -2.957   0.030  1.00  0.00           C  
HETATM   33  C   UNL     1       1.979  -3.712   0.079  1.00  0.00           C  
HETATM   34  N   UNL     1       1.557  -4.048  -1.283  1.00  0.00           N  
HETATM   35  N   UNL     1       1.413  -5.123  -1.577  1.00  0.00           N1+
HETATM   36  N   UNL     1       1.268  -6.198  -1.872  1.00  0.00           N1-
HETATM   37  H   UNL     1       7.240   3.227  -0.852  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.437  -1.349  -3.194  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.932   0.690  -1.535  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.071  -0.568   1.101  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.816   0.341   3.011  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.632   1.416   2.655  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.292   2.253  -0.655  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.161   2.543   1.096  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.234   0.263   1.403  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.365  -0.026  -0.349  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.858   2.328   0.054  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.418   1.764  -0.941  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.286   2.053   0.811  1.00  0.00           H  
HETATM   50  H   UNL     1       3.677   6.067  -1.069  1.00  0.00           H  
HETATM   51  H   UNL     1       2.312   5.121  -0.815  1.00  0.00           H  
HETATM   52  H   UNL     1       5.041  -0.882  -0.329  1.00  0.00           H  
HETATM   53  H   UNL     1       3.059  -0.715   2.010  1.00  0.00           H  
HETATM   54  H   UNL     1       5.123  -0.999   3.178  1.00  0.00           H  
HETATM   55  H   UNL     1       3.097  -3.057   2.195  1.00  0.00           H  
HETATM   56  H   UNL     1       5.070  -4.275   1.622  1.00  0.00           H  
HETATM   57  H   UNL     1       4.047  -3.538  -0.523  1.00  0.00           H  
HETATM   58  H   UNL     1       2.103  -4.627   0.658  1.00  0.00           H  
HETATM   59  H   UNL     1       1.223  -3.084   0.550  1.00  0.00           H  
CONECT    1   24   25   25   37                                       
CONECT    2    3    3   25    5                                       
CONECT    3    4   22    2    2                                       
CONECT    4   23   24   24    3                                       
CONECT    5   21    2   26                                            
CONECT    6    7    7    7   38                                       
CONECT    7    8    6    6    6                                       
CONECT    8    9    9   10    7                                       
CONECT    9   13    8    8   39                                       
CONECT   10   11   11    8   40                                       
CONECT   11   12   10   10   41                                       
CONECT   12   13   13   11   42                                       
CONECT   13   14   12   12    9                                       
CONECT   14   15   13   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   17   47                                            
CONECT   17   18   18   16   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   48   49                                       
CONECT   20   19   21                                                 
CONECT   21   22   22   20    5                                       
CONECT   22    3   21   21                                            
CONECT   23    4   50   51                                            
CONECT   24    4    4    1                                            
CONECT   25    1    1    2                                            
CONECT   26    5   27   28   52                                       
CONECT   27   26   32                                                 
CONECT   28   26   30   29   53                                       
CONECT   29   28   54                                                 
CONECT   30   32   28   31   55                                       
CONECT   31   30   56                                                 
CONECT   32   27   33   30   57                                       
CONECT   33   32   34   58   59                                       
CONECT   34   35   35   33                                            
CONECT   35   36   36   34   34                                       
CONECT   36   35   35                                                 
CONECT   37    1                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
