COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.469  -0.754  -0.192  1.00  0.00           C  
HETATM    2  N   UNL     1       2.429  -1.450  -0.606  1.00  0.00           N  
HETATM    3  O   UNL     1       2.508   5.119   0.925  1.00  0.00           O  
HETATM    4  S   UNL     1      -0.343   1.116  -1.445  1.00  0.00           S  
HETATM    5  C   UNL     1       2.370   1.257  -0.465  1.00  0.00           C  
HETATM    6  N   UNL     1       3.452   0.573  -0.118  1.00  0.00           N  
HETATM    7  O   UNL     1      -6.730   1.046   1.237  1.00  0.00           O  
HETATM    8  S   UNL     1      -6.892  -0.351   1.032  1.00  0.00           S  
HETATM    9  C   UNL     1       1.283  -0.838  -0.980  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.155  -1.108  -1.111  1.00  0.00           N  
HETATM   11  O   UNL     1      -7.793  -0.847   0.052  1.00  0.00           O  
HETATM   12  C   UNL     1       1.236   0.557  -0.913  1.00  0.00           C  
HETATM   13  N   UNL     1       2.357   2.640  -0.386  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.879  -0.530  -1.735  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.404  -0.863   0.516  1.00  0.00           N  
HETATM   16  C   UNL     1       0.081  -1.394  -1.444  1.00  0.00           C  
HETATM   17  N   UNL     1       6.911  -1.414   1.015  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.245  -0.909  -2.247  1.00  0.00           C  
HETATM   19  N   UNL     1       8.170  -3.362   1.362  1.00  0.00           N  
HETATM   20  C   UNL     1       4.698  -1.477   0.211  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.423  -1.705  -1.552  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.269  -2.063  -0.325  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.184  -0.131   0.885  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.381   0.151  -0.390  1.00  0.00           C  
HETATM   25  C   UNL     1       3.645   3.151   0.107  1.00  0.00           C  
HETATM   26  C   UNL     1       3.607   4.682   0.122  1.00  0.00           C  
HETATM   27  C   UNL     1       1.238   4.640   0.474  1.00  0.00           C  
HETATM   28  C   UNL     1       1.252   3.109   0.463  1.00  0.00           C  
HETATM   29  C   UNL     1       5.816  -0.776   0.654  1.00  0.00           C  
HETATM   30  C   UNL     1       6.994  -2.736   0.971  1.00  0.00           C  
HETATM   31  C   UNL     1       4.751  -2.875   0.153  1.00  0.00           C  
HETATM   32  C   UNL     1       5.917  -3.505   0.539  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.140  -1.202   2.614  1.00  0.00           C  
HETATM   34  H   UNL     1      -0.053  -2.460  -1.556  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.175  -1.832  -2.823  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.628  -0.111  -2.884  1.00  0.00           H  
HETATM   37  H   UNL     1       8.923  -2.832   1.665  1.00  0.00           H  
HETATM   38  H   UNL     1       8.237  -4.329   1.333  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.966  -0.990  -2.171  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.220  -2.607  -2.129  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.776  -2.853   0.242  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.255  -2.399  -0.645  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.452   0.810   1.364  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.586  -0.735   1.567  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.421   0.595  -0.124  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.938   0.840  -1.025  1.00  0.00           H  
HETATM   47  H   UNL     1       3.821   2.782   1.117  1.00  0.00           H  
HETATM   48  H   UNL     1       4.446   2.813  -0.550  1.00  0.00           H  
HETATM   49  H   UNL     1       3.484   5.053  -0.896  1.00  0.00           H  
HETATM   50  H   UNL     1       4.538   5.064   0.540  1.00  0.00           H  
HETATM   51  H   UNL     1       0.456   4.992   1.147  1.00  0.00           H  
HETATM   52  H   UNL     1       1.047   5.009  -0.533  1.00  0.00           H  
HETATM   53  H   UNL     1       0.306   2.739   0.065  1.00  0.00           H  
HETATM   54  H   UNL     1       1.390   2.738   1.478  1.00  0.00           H  
HETATM   55  H   UNL     1       5.786   0.303   0.703  1.00  0.00           H  
HETATM   56  H   UNL     1       3.899  -3.447  -0.186  1.00  0.00           H  
HETATM   57  H   UNL     1       5.993  -4.582   0.506  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.107  -0.920   3.031  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.114  -2.280   2.454  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.349  -0.919   3.308  1.00  0.00           H  
CONECT    1    2    2    6   20                                       
CONECT    2    1    1    9                                            
CONECT    3   26   27                                                 
CONECT    4   12   14                                                 
CONECT    5    6    6   12   13                                       
CONECT    6    1    5    5                                            
CONECT    7    8    8                                                 
CONECT    8    7    7   11   11                                       
CONECT    8   15   33                                                 
CONECT    9    2   12   12   16                                       
CONECT   10   18   21   24                                            
CONECT   11    8    8                                                 
CONECT   12    4    5    9    9                                       
CONECT   13    5   25   28                                            
CONECT   14    4   16   16   18                                       
CONECT   15    8   22   23                                            
CONECT   16    9   14   14   34                                       
CONECT   17   29   29   30                                            
CONECT   18   10   14   35   36                                       
CONECT   19   30   37   38                                            
CONECT   20    1   29   31   31                                       
CONECT   21   10   22   39   40                                       
CONECT   22   15   21   41   42                                       
CONECT   23   15   24   43   44                                       
CONECT   24   10   23   45   46                                       
CONECT   25   13   26   47   48                                       
CONECT   26    3   25   49   50                                       
CONECT   27    3   28   51   52                                       
CONECT   28   13   27   53   54                                       
CONECT   29   17   17   20   55                                       
CONECT   30   17   19   32   32                                       
CONECT   31   20   20   32   56                                       
CONECT   32   30   30   31   57                                       
CONECT   33    8   58   59   60                                       
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
