COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.255  -2.431   1.536  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.386  -3.800   1.387  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.842  -4.324   0.192  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.291   2.241   2.075  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.168  -3.480  -0.854  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.038  -2.111  -0.704  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.581  -1.587   0.491  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.444  -0.096   0.656  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.579   0.573   0.015  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.161   0.365   0.014  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.182   0.868  -1.090  1.00  0.00           O  
HETATM   12  S   UNL     1      -4.907   0.993   0.911  1.00  0.00           S  
HETATM   13  O   UNL     1      -5.257  -0.200   1.599  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.793   1.583  -0.030  1.00  0.00           O  
HETATM   15 CL   UNL     1      -3.741  -4.139  -2.355  1.00  0.00          Cl  
HETATM   16  N   UNL     1       0.009   0.220   0.666  1.00  0.00           N  
HETATM   17  C   UNL     1       1.256   0.668   0.041  1.00  0.00           C  
HETATM   18  C   UNL     1       2.413  -0.109   0.615  1.00  0.00           C  
HETATM   19  O   UNL     1       2.215  -0.954   1.462  1.00  0.00           O  
HETATM   20  C   UNL     1       1.457   2.160   0.316  1.00  0.00           C  
HETATM   21  C   UNL     1       0.366   2.947  -0.362  1.00  0.00           C  
HETATM   22  C   UNL     1       0.540   3.393  -1.659  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.812   3.218   0.310  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.461   4.116  -2.282  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.813   3.940  -0.313  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.637   4.391  -1.607  1.00  0.00           C  
HETATM   27  N   UNL     1       3.667   0.135   0.187  1.00  0.00           N  
HETATM   28  C   UNL     1       4.792  -0.620   0.745  1.00  0.00           C  
HETATM   29  C   UNL     1       6.075  -0.159   0.102  1.00  0.00           C  
HETATM   30  O   UNL     1       6.052   0.715  -0.739  1.00  0.00           O  
HETATM   31  C   UNL     1       9.651  -1.045   0.412  1.00  0.00           C  
HETATM   32  N   UNL     1      10.444  -1.680  -0.366  1.00  0.00           N  
HETATM   33  C   UNL     1       8.494  -0.268  -0.162  1.00  0.00           C  
HETATM   34  N   UNL     1       7.247  -0.717   0.463  1.00  0.00           N  
HETATM   35  H   UNL     1      -1.903  -2.021   2.471  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.131  -4.458   2.204  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.943  -5.393   0.076  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.890   3.089   1.519  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.108   2.578   2.712  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.505   1.806   2.691  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.293  -1.452  -1.521  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.429   0.152   1.717  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.553   0.769  -0.934  1.00  0.00           H  
HETATM   44  H   UNL     1       0.026  -0.182   1.548  1.00  0.00           H  
HETATM   45  H   UNL     1       1.204   0.501  -1.035  1.00  0.00           H  
HETATM   46  H   UNL     1       1.420   2.339   1.391  1.00  0.00           H  
HETATM   47  H   UNL     1       2.426   2.473  -0.071  1.00  0.00           H  
HETATM   48  H   UNL     1       1.458   3.178  -2.185  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.950   2.865   1.321  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.325   4.465  -3.294  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.733   4.151   0.212  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.418   4.955  -2.094  1.00  0.00           H  
HETATM   53  H   UNL     1       3.825   0.811  -0.491  1.00  0.00           H  
HETATM   54  H   UNL     1       4.844  -0.452   1.821  1.00  0.00           H  
HETATM   55  H   UNL     1       4.649  -1.682   0.549  1.00  0.00           H  
HETATM   56  H   UNL     1       9.811  -1.066   1.480  1.00  0.00           H  
HETATM   57  H   UNL     1      11.189  -2.180   0.004  1.00  0.00           H  
HETATM   58  H   UNL     1       8.637   0.794   0.034  1.00  0.00           H  
HETATM   59  H   UNL     1       8.443  -0.436  -1.238  1.00  0.00           H  
HETATM   60  H   UNL     1       7.266  -1.415   1.135  1.00  0.00           H  
CONECT    1    2    7    7   35                                       
CONECT    2    3    3    1   36                                       
CONECT    3    2    2    5   37                                       
CONECT    4   12   38   39   40                                       
CONECT    5    3   15    6    6                                       
CONECT    6    5    5    7   41                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   10   42                                       
CONECT    9    8   12   43                                            
CONECT   10    8   11   11   16                                       
CONECT   11   10   10                                                 
CONECT   12    9   14   14   13                                       
CONECT   12   13    4                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15    5                                                      
CONECT   16   10   17   44                                            
CONECT   17   16   18   20   45                                       
CONECT   18   19   19   17   27                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   46   47                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21   24   48                                       
CONECT   23   21   25   25   49                                       
CONECT   24   22   26   26   50                                       
CONECT   25   23   23   26   51                                       
CONECT   26   24   24   25   52                                       
CONECT   27   18   28   53                                            
CONECT   28   27   29   54   55                                       
CONECT   29   28   34   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   32   32   33   56                                       
CONECT   32   31   31   57                                            
CONECT   33   34   31   58   59                                       
CONECT   34   29   33   60                                            
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
