COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.320   2.277  -0.106  1.00  0.00           N  
HETATM    2  C   UNL     1       2.250   0.897  -0.058  1.00  0.00           C  
HETATM    3  N   UNL     1       1.078   0.285   0.002  1.00  0.00           N  
HETATM    4  C   UNL     1       0.998  -1.040   0.049  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.591  -1.798   0.129  1.00  0.00           S  
HETATM    6  C   UNL     1      -1.642  -0.324   0.116  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.089  -0.740   0.179  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.060   0.196   0.181  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.467  -0.208   0.243  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.355   1.038   0.232  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.766   0.633   0.293  1.00  0.00           N  
HETATM   12  C   UNL     1      -8.637   1.793   0.523  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.078   1.318   0.726  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.537   0.550  -0.516  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.585  -0.625  -0.761  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.159  -0.094  -0.921  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.381  -1.916   0.228  1.00  0.00           O  
HETATM   18  N   UNL     1       2.073  -1.806   0.037  1.00  0.00           N  
HETATM   19  C   UNL     1       3.300  -1.270  -0.023  1.00  0.00           C  
HETATM   20  C   UNL     1       3.435   0.114  -0.079  1.00  0.00           C  
HETATM   21  C   UNL     1       4.829   0.541  -0.141  1.00  0.00           C  
HETATM   22  C   UNL     1       5.702  -0.466  -0.133  1.00  0.00           C  
HETATM   23  C   UNL     1       7.210  -0.292  -0.197  1.00  0.00           C  
HETATM   24  C   UNL     1       7.557   1.153   0.167  1.00  0.00           C  
HETATM   25  C   UNL     1       9.034   1.417  -0.134  1.00  0.00           C  
HETATM   26  C   UNL     1       9.903   0.551   0.780  1.00  0.00           C  
HETATM   27  C   UNL     1       6.687   2.098  -0.667  1.00  0.00           C  
HETATM   28  C   UNL     1       5.239   2.007  -0.209  1.00  0.00           C  
HETATM   29  S   UNL     1       4.887  -2.019  -0.062  1.00  0.00           S  
HETATM   30  H   UNL     1       1.513   2.799  -0.237  1.00  0.00           H  
HETATM   31  H   UNL     1       3.175   2.724  -0.005  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.405   0.299   0.978  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.466   0.240  -0.800  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.826   1.137   0.142  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.704  -0.831  -0.620  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.643  -0.772   1.158  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.118   1.661   1.094  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.179   1.602  -0.684  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.302   2.328   1.411  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.592   2.457  -0.340  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.126   0.665   1.597  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.726   2.180   0.882  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.547   0.173  -0.358  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.526   1.214  -1.380  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.626  -1.309   0.087  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.882  -1.150  -1.668  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.116   0.580  -1.777  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.477  -0.929  -1.081  1.00  0.00           H  
HETATM   49  H   UNL     1       7.686  -0.971   0.511  1.00  0.00           H  
HETATM   50  H   UNL     1       7.561  -0.510  -1.206  1.00  0.00           H  
HETATM   51  H   UNL     1       7.364   1.319   1.227  1.00  0.00           H  
HETATM   52  H   UNL     1       9.242   1.169  -1.175  1.00  0.00           H  
HETATM   53  H   UNL     1       9.258   2.469   0.041  1.00  0.00           H  
HETATM   54  H   UNL     1       9.679  -0.502   0.605  1.00  0.00           H  
HETATM   55  H   UNL     1      10.955   0.738   0.565  1.00  0.00           H  
HETATM   56  H   UNL     1       9.695   0.798   1.821  1.00  0.00           H  
HETATM   57  H   UNL     1       7.047   3.121  -0.553  1.00  0.00           H  
HETATM   58  H   UNL     1       6.736   1.808  -1.717  1.00  0.00           H  
HETATM   59  H   UNL     1       4.590   2.536  -0.906  1.00  0.00           H  
HETATM   60  H   UNL     1       5.158   2.455   0.781  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2   20    1    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4   18   18    3    5                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   32   33                                       
CONECT    7    6    8   17   17                                       
CONECT    8    7    9   34                                            
CONECT    9    8   10   35   36                                       
CONECT   10   11    9   37   38                                       
CONECT   11   16   12   10                                            
CONECT   12   13   11   39   40                                       
CONECT   13   14   12   41   42                                       
CONECT   14   15   13   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   11   47   48                                       
CONECT   17    7    7                                                 
CONECT   18   19    4    4                                            
CONECT   19   29   20   20   18                                       
CONECT   20   21   19   19    2                                       
CONECT   21   22   22   28   20                                       
CONECT   22   23   29   21   21                                       
CONECT   23   24   22   49   50                                       
CONECT   24   25   23   27   51                                       
CONECT   25   26   24   52   53                                       
CONECT   26   25   54   55   56                                       
CONECT   27   24   28   57   58                                       
CONECT   28   27   21   59   60                                       
CONECT   29   22   19                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
