COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.959   0.302  -0.412  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.525   0.370   0.803  1.00  0.00           C  
HETATM    3  S   UNL     1      -4.773  -0.042   1.896  1.00  0.00           S  
HETATM    4  C   UNL     1      -5.878  -0.299   0.553  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.224  -0.056  -0.596  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.885  -0.182  -1.961  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.404  -0.174  -1.774  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.792  -1.211  -0.717  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.324  -0.723   0.658  1.00  0.00           C  
HETATM   10  N   UNL     1      -9.251  -1.382  -0.707  1.00  0.00           N  
HETATM   11  C   UNL     1       3.293   2.427  -1.056  1.00  0.00           C  
HETATM   12  C   UNL     1       2.274   2.083  -0.001  1.00  0.00           C  
HETATM   13  C   UNL     1       2.626   2.122   1.337  1.00  0.00           C  
HETATM   14  C   UNL     1       1.696   1.808   2.312  1.00  0.00           C  
HETATM   15  C   UNL     1       0.411   1.454   1.957  1.00  0.00           C  
HETATM   16  C   UNL     1       0.050   1.413   0.609  1.00  0.00           C  
HETATM   17  C   UNL     1       0.991   1.736  -0.370  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.325   1.033   0.221  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.233   0.727   1.168  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.637   0.998  -0.954  1.00  0.00           O  
HETATM   21  C   UNL     1       4.945   4.161  -1.409  1.00  0.00           C  
HETATM   22  C   UNL     1       5.544   3.039  -0.525  1.00  0.00           C  
HETATM   23  N   UNL     1       4.613   1.906  -0.671  1.00  0.00           N  
HETATM   24  C   UNL     1       4.919   0.607  -0.481  1.00  0.00           C  
HETATM   25  N   UNL     1       6.171   0.255  -0.127  1.00  0.00           N  
HETATM   26  O   UNL     1       4.067  -0.247  -0.629  1.00  0.00           O  
HETATM   27  C   UNL     1       6.466  -1.082   0.165  1.00  0.00           C  
HETATM   28  C   UNL     1       5.836  -2.099  -0.535  1.00  0.00           C  
HETATM   29  C   UNL     1       6.134  -3.430  -0.241  1.00  0.00           C  
HETATM   30  C   UNL     1       7.066  -3.728   0.756  1.00  0.00           C  
HETATM   31  C   UNL     1       7.688  -2.708   1.445  1.00  0.00           C  
HETATM   32  C   UNL     1       7.396  -1.389   1.150  1.00  0.00           C  
HETATM   33  C   UNL     1       5.486  -4.487  -0.958  1.00  0.00           C  
HETATM   34  N   UNL     1       4.972  -5.325  -1.527  1.00  0.00           N  
HETATM   35  C   UNL     1       3.424   3.959  -1.180  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.651  -2.448   0.220  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.927  -0.119  -0.380  1.00  0.00           C  
HETATM   38  H   UNL     1      -5.589   0.658  -2.589  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.579  -1.117  -2.430  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.724   0.816  -1.447  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.887  -0.419  -2.719  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.315  -2.164  -0.947  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.417  -1.529   1.385  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.932   0.126   0.970  1.00  0.00           H  
HETATM   45  H   UNL     1       2.992   2.002  -2.014  1.00  0.00           H  
HETATM   46  H   UNL     1       3.631   2.398   1.620  1.00  0.00           H  
HETATM   47  H   UNL     1       1.977   1.840   3.355  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.313   1.208   2.719  1.00  0.00           H  
HETATM   49  H   UNL     1       0.717   1.706  -1.414  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.984   0.754   2.106  1.00  0.00           H  
HETATM   51  H   UNL     1       5.266   5.143  -1.064  1.00  0.00           H  
HETATM   52  H   UNL     1       5.206   4.013  -2.457  1.00  0.00           H  
HETATM   53  H   UNL     1       6.536   2.762  -0.883  1.00  0.00           H  
HETATM   54  H   UNL     1       5.593   3.361   0.515  1.00  0.00           H  
HETATM   55  H   UNL     1       6.867   0.928  -0.074  1.00  0.00           H  
HETATM   56  H   UNL     1       5.115  -1.862  -1.304  1.00  0.00           H  
HETATM   57  H   UNL     1       7.300  -4.757   0.987  1.00  0.00           H  
HETATM   58  H   UNL     1       8.408  -2.940   2.216  1.00  0.00           H  
HETATM   59  H   UNL     1       7.887  -0.595   1.694  1.00  0.00           H  
HETATM   60  H   UNL     1       2.854   4.327  -2.033  1.00  0.00           H  
HETATM   61  H   UNL     1       3.105   4.449  -0.261  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.322  -2.195   1.228  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.736  -2.553   0.208  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.191  -3.388  -0.086  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.667   0.635  -1.123  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.006  -0.273  -0.380  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.608   0.219   0.606  1.00  0.00           H  
CONECT    1    2    2    5                                            
CONECT    2   19    3    1    1                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5    9                                       
CONECT    5    1    4    4    6                                       
CONECT    6    5    7   38   39                                       
CONECT    7    8    6   40   41                                       
CONECT    8    9   10    7   42                                       
CONECT    9    4    8   43   44                                       
CONECT   10    8   37   36                                            
CONECT   11   12   23   35   45                                       
CONECT   12   13   13   17   11                                       
CONECT   13   14   12   12   46                                       
CONECT   14   15   15   13   47                                       
CONECT   15   14   14   16   48                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16   12   49                                       
CONECT   18   20   20   19   16                                       
CONECT   19   18    2   50                                            
CONECT   20   18   18                                                 
CONECT   21   22   35   51   52                                       
CONECT   22   23   21   53   54                                       
CONECT   23   24   11   22                                            
CONECT   24   26   26   25   23                                       
CONECT   25   27   24   55                                            
CONECT   26   24   24                                                 
CONECT   27   32   32   28   25                                       
CONECT   28   29   29   27   56                                       
CONECT   29   30   33   28   28                                       
CONECT   30   31   31   29   57                                       
CONECT   31   30   30   32   58                                       
CONECT   32   31   27   27   59                                       
CONECT   33   29   34   34   34                                       
CONECT   34   33   33   33                                            
CONECT   35   11   21   60   61                                       
CONECT   36   10   62   63   64                                       
CONECT   37   10   65   66   67                                       
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
