COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.910   2.184   1.287  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.995   1.386   1.270  1.00  0.00           C  
HETATM    3  OXT UNL     1      -3.097   1.853   1.481  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.846  -0.053   0.997  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.669  -0.616   0.761  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.907  -0.908   0.972  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.345  -0.527   1.212  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.001  -0.147  -0.117  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.460   0.240   0.127  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.116   0.619  -1.202  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.554   1.000  -0.962  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.885   2.315  -0.689  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.204   2.665  -0.469  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.193   1.700  -0.522  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.863   0.386  -0.796  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.544   0.037  -1.020  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.342  -2.485   0.623  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.687  -1.894   0.535  1.00  0.00           C  
HETATM   19  C   UNL     1       0.502  -2.726   0.249  1.00  0.00           C  
HETATM   20  C   UNL     1       0.361  -4.097   0.020  1.00  0.00           C  
HETATM   21  C   UNL     1       1.468  -4.876  -0.245  1.00  0.00           C  
HETATM   22  C   UNL     1       2.732  -4.312  -0.288  1.00  0.00           C  
HETATM   23  C   UNL     1       3.915  -5.197  -0.572  1.00  0.00           C  
HETATM   24  C   UNL     1       5.089  -4.392  -1.125  1.00  0.00           C  
HETATM   25  C   UNL     1       5.423  -3.249  -0.157  1.00  0.00           C  
HETATM   26  C   UNL     1       1.767  -2.147   0.200  1.00  0.00           C  
HETATM   27  C   UNL     1       2.881  -2.943  -0.065  1.00  0.00           C  
HETATM   28  C   UNL     1       4.224  -2.324  -0.120  1.00  0.00           C  
HETATM   29  N   UNL     1       4.370  -1.034  -0.136  1.00  0.00           N  
HETATM   30  N   UNL     1       5.653  -0.475  -0.188  1.00  0.00           N  
HETATM   31  C   UNL     1       5.808   0.896  -0.205  1.00  0.00           C  
HETATM   32  S   UNL     1       7.354   1.731  -0.269  1.00  0.00           S  
HETATM   33  C   UNL     1       6.529   3.288  -0.252  1.00  0.00           C  
HETATM   34  C   UNL     1       7.026   4.589  -0.282  1.00  0.00           C  
HETATM   35  C   UNL     1       6.161   5.661  -0.259  1.00  0.00           C  
HETATM   36  N   UNL     1       4.839   1.747  -0.182  1.00  0.00           N  
HETATM   37  C   UNL     1       5.151   3.058  -0.200  1.00  0.00           C  
HETATM   38  C   UNL     1       4.285   4.172  -0.178  1.00  0.00           C  
HETATM   39  C   UNL     1       4.792   5.446  -0.206  1.00  0.00           C  
HETATM   40  H   UNL     1      -1.057   3.122   1.471  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.876  -1.371   1.651  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.386   0.323   1.893  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.469   0.697  -0.557  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.959  -0.997  -0.799  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.992  -0.605   0.566  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.502   1.089   0.808  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.585   1.464  -1.642  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.075  -0.231  -1.884  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.112   3.068  -0.648  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.286  -0.989  -1.238  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.462   3.691  -0.255  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.223   1.973  -0.349  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.635  -0.368  -0.837  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.620  -4.549   0.051  1.00  0.00           H  
HETATM   55  H   UNL     1       1.885  -1.087   0.372  1.00  0.00           H  
HETATM   56  H   UNL     1       1.348  -5.935  -0.419  1.00  0.00           H  
HETATM   57  H   UNL     1       4.223  -5.689   0.350  1.00  0.00           H  
HETATM   58  H   UNL     1       3.627  -5.954  -1.301  1.00  0.00           H  
HETATM   59  H   UNL     1       5.957  -5.043  -1.232  1.00  0.00           H  
HETATM   60  H   UNL     1       4.821  -3.979  -2.097  1.00  0.00           H  
HETATM   61  H   UNL     1       5.612  -3.650   0.839  1.00  0.00           H  
HETATM   62  H   UNL     1       6.299  -2.707  -0.512  1.00  0.00           H  
HETATM   63  H   UNL     1       6.433  -1.052  -0.212  1.00  0.00           H  
HETATM   64  H   UNL     1       8.092   4.758  -0.322  1.00  0.00           H  
HETATM   65  H   UNL     1       6.550   6.668  -0.281  1.00  0.00           H  
HETATM   66  H   UNL     1       4.118   6.290  -0.189  1.00  0.00           H  
HETATM   67  H   UNL     1       3.217   4.020  -0.138  1.00  0.00           H  
CONECT    1    2   40                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    6    6                                       
CONECT    5    4   18   18                                            
CONECT    6    4    4    7   17                                       
CONECT    7    6    8   41   42                                       
CONECT    8    7    9   43   44                                       
CONECT    9    8   10   45   46                                       
CONECT   10    9   11   47   48                                       
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13   49                                       
CONECT   13   12   12   14   51                                       
CONECT   14   13   15   15   52                                       
CONECT   15   14   14   16   53                                       
CONECT   16   11   11   15   50                                       
CONECT   17    6   18                                                 
CONECT   18    5    5   17   19                                       
CONECT   19   18   20   26   26                                       
CONECT   20   19   21   21   54                                       
CONECT   21   20   20   22   56                                       
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   57   58                                       
CONECT   24   23   25   59   60                                       
CONECT   25   24   28   61   62                                       
CONECT   26   19   19   27   55                                       
CONECT   27   22   22   26   28                                       
CONECT   28   25   27   29   29                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   63                                            
CONECT   31   30   32   36   36                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   37   37                                       
CONECT   34   33   35   35   64                                       
CONECT   35   34   34   39   65                                       
CONECT   36   31   31   37                                            
CONECT   37   33   33   36   38                                       
CONECT   38   37   39   39   67                                       
CONECT   39   35   38   38   66                                       
CONECT   40    1                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   16                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   20                                                      
CONECT   55   26                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   30                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   39                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
