COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.122  -1.964   0.028  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.289  -1.873   0.365  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.278  -3.073   0.559  1.00  0.00           O  
HETATM    4  C   UNL     1       5.694  -0.659  -0.707  1.00  0.00           C  
HETATM    5  C   UNL     1       4.929  -2.876  -0.231  1.00  0.00           C  
HETATM    6  C   UNL     1       6.250  -2.993  -1.031  1.00  0.00           C  
HETATM    7  C   UNL     1       6.906  -1.614  -0.754  1.00  0.00           C  
HETATM    8  C   UNL     1       5.899   0.374   0.371  1.00  0.00           C  
HETATM    9  C   UNL     1       6.579   1.552   0.085  1.00  0.00           C  
HETATM   10  C   UNL     1       6.765   2.503   1.082  1.00  0.00           C  
HETATM   11  C   UNL     1       6.274   2.274   2.352  1.00  0.00           C  
HETATM   12  C   UNL     1       7.985   3.470  -1.390  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.842  -0.916   0.727  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.199  -0.279   1.901  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.946   0.883   0.735  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.336   0.496  -1.726  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.898   0.814  -0.451  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.700  -1.898   0.721  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.199  -0.532  -0.647  1.00  0.00           C  
HETATM   20  N   UNL     1       0.860  -1.224   0.091  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.451  -1.192   0.423  1.00  0.00           N  
HETATM   22  C   UNL     1       3.247  -1.012  -0.292  1.00  0.00           C  
HETATM   23  N   UNL     1       4.509  -1.473  -0.400  1.00  0.00           N  
HETATM   24  O   UNL     1       3.016   0.168  -0.451  1.00  0.00           O  
HETATM   25  C   UNL     1       5.598   1.100   2.633  1.00  0.00           C  
HETATM   26  C   UNL     1       5.406   0.155   1.642  1.00  0.00           C  
HETATM   27  S   UNL     1       7.204   1.840  -1.537  1.00  0.00           S  
HETATM   28  C   UNL     1      -5.247   0.619   1.909  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.590   0.239  -0.439  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.536  -0.658  -0.440  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.001   1.801   0.762  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.869   1.941  -0.411  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.990   1.882  -1.668  1.00  0.00           C  
HETATM   34  O   UNL     1      -7.384  -0.483  -1.822  1.00  0.00           O  
HETATM   35  O   UNL     1      -9.627   0.795   0.777  1.00  0.00           O  
HETATM   36  H   UNL     1       2.312  -2.441   0.989  1.00  0.00           H  
HETATM   37  H   UNL     1       2.059  -2.725  -0.749  1.00  0.00           H  
HETATM   38  H   UNL     1       5.568  -0.169  -1.672  1.00  0.00           H  
HETATM   39  H   UNL     1       4.176  -3.549  -0.642  1.00  0.00           H  
HETATM   40  H   UNL     1       5.102  -3.098   0.822  1.00  0.00           H  
HETATM   41  H   UNL     1       6.869  -3.804  -0.647  1.00  0.00           H  
HETATM   42  H   UNL     1       6.053  -3.126  -2.095  1.00  0.00           H  
HETATM   43  H   UNL     1       7.582  -1.339  -1.563  1.00  0.00           H  
HETATM   44  H   UNL     1       7.429  -1.621   0.202  1.00  0.00           H  
HETATM   45  H   UNL     1       7.293   3.419   0.863  1.00  0.00           H  
HETATM   46  H   UNL     1       6.418   3.012   3.127  1.00  0.00           H  
HETATM   47  H   UNL     1       8.414   3.756  -2.351  1.00  0.00           H  
HETATM   48  H   UNL     1       7.238   4.206  -1.093  1.00  0.00           H  
HETATM   49  H   UNL     1       8.774   3.429  -0.639  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.657  -0.484   2.813  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.668   0.425  -2.584  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.587   0.984  -1.278  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.624  -2.374   1.698  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.878  -2.658  -0.040  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.574  -0.746   0.220  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.948  -1.317  -0.757  1.00  0.00           H  
HETATM   57  H   UNL     1       0.850  -0.266  -0.064  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.460  -0.235   0.268  1.00  0.00           H  
HETATM   59  H   UNL     1       5.216   0.924   3.627  1.00  0.00           H  
HETATM   60  H   UNL     1       4.873  -0.758   1.863  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.525   1.116   2.826  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.255  -1.157  -1.355  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.157   2.342   1.552  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.382   2.902  -0.370  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.220   2.650  -1.605  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.597   2.040  -2.559  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.301   0.102   0.824  1.00  0.00           H  
CONECT    1   20   22   36   37                                       
CONECT    2    3    3   21   20                                       
CONECT    3    2    2                                                 
CONECT    4    7    8   23   38                                       
CONECT    5   23    6   39   40                                       
CONECT    6    7    5   41   42                                       
CONECT    7    4    6   43   44                                       
CONECT    8    9    4   26   26                                       
CONECT    9   27   10   10    8                                       
CONECT   10    9    9   11   45                                       
CONECT   11   10   25   25   46                                       
CONECT   12   27   47   48   49                                       
CONECT   13   18   30   30   14                                       
CONECT   14   13   28   28   50                                       
CONECT   15   29   29   28   31                                       
CONECT   16   34   29   33   51                                       
CONECT   17   19   35   32   52                                       
CONECT   18   21   13   53   54                                       
CONECT   19   34   17   55   56                                       
CONECT   20    2    1   57                                            
CONECT   21   18    2   58                                            
CONECT   22    1   23   24   24                                       
CONECT   23    4   22    5                                            
CONECT   24   22   22                                                 
CONECT   25   11   11   26   59                                       
CONECT   26    8    8   25   60                                       
CONECT   27   12    9                                                 
CONECT   28   14   14   15   61                                       
CONECT   29   30   16   15   15                                       
CONECT   30   13   13   29   62                                       
CONECT   31   15   32   63                                            
CONECT   32   17   33   31   64                                       
CONECT   33   16   32   65   66                                       
CONECT   34   19   16                                                 
CONECT   35   17   67                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
