COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.979  -0.165  -0.926  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.620  -1.383  -1.057  1.00  0.00           C  
HETATM    3 CL   UNL     1      -4.309  -1.843  -2.583  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -3.713  -2.237   0.028  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.163  -1.870   1.244  1.00  0.00           C  
HETATM    6 CL   UNL     1      -3.278  -2.940   2.606  1.00  0.00          Cl  
HETATM    7  C   UNL     1      -2.522  -0.651   1.374  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.426   0.199   0.288  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.608   1.751   0.454  1.00  0.00           S  
HETATM   10  N   UNL     1      -2.441   2.821  -0.172  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.787   2.511  -0.659  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.420   2.042   1.832  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.136   1.683  -0.303  1.00  0.00           N  
HETATM   14  C   UNL     1       0.297   0.461  -0.973  1.00  0.00           C  
HETATM   15  C   UNL     1       1.196  -0.304  -0.025  1.00  0.00           C  
HETATM   16  O   UNL     1       0.845  -1.398   0.381  1.00  0.00           O  
HETATM   17  C   UNL     1       1.100   0.775  -2.229  1.00  0.00           C  
HETATM   18  C   UNL     1       0.955   2.181  -2.749  1.00  0.00           C  
HETATM   19  C   UNL     1       0.990   3.305  -1.731  1.00  0.00           C  
HETATM   20  C   UNL     1       0.741   2.845  -0.310  1.00  0.00           C  
HETATM   21  C   UNL     1       2.004   2.650   0.507  1.00  0.00           C  
HETATM   22  C   UNL     1       1.646   2.408   1.952  1.00  0.00           C  
HETATM   23  C   UNL     1       2.080   3.225   2.879  1.00  0.00           C  
HETATM   24  C   UNL     1       2.871   1.515  -0.021  1.00  0.00           C  
HETATM   25  N   UNL     1       2.369   0.201   0.373  1.00  0.00           N  
HETATM   26  C   UNL     1       3.212  -0.637   1.248  1.00  0.00           C  
HETATM   27  C   UNL     1       4.128  -1.483   0.402  1.00  0.00           C  
HETATM   28  N   UNL     1       3.697  -2.633  -0.077  1.00  0.00           N  
HETATM   29  C   UNL     1       4.463  -3.406  -0.822  1.00  0.00           C  
HETATM   30  C   UNL     1       5.758  -3.033  -1.128  1.00  0.00           C  
HETATM   31  C   UNL     1       6.247  -1.829  -0.641  1.00  0.00           C  
HETATM   32  C   UNL     1       5.410  -1.041   0.133  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.907   0.501  -1.773  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.213  -3.188  -0.073  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.093  -0.365   2.323  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.369   2.058   0.144  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.275   3.429  -0.987  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.720   1.816  -1.496  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.574  -0.155  -1.225  1.00  0.00           H  
HETATM   40  H   UNL     1       2.151   0.524  -2.077  1.00  0.00           H  
HETATM   41  H   UNL     1       0.752   0.083  -3.024  1.00  0.00           H  
HETATM   42  H   UNL     1       1.751   2.366  -3.488  1.00  0.00           H  
HETATM   43  H   UNL     1       0.006   2.253  -3.303  1.00  0.00           H  
HETATM   44  H   UNL     1       1.968   3.796  -1.779  1.00  0.00           H  
HETATM   45  H   UNL     1       0.233   4.050  -2.000  1.00  0.00           H  
HETATM   46  H   UNL     1       0.174   3.657   0.183  1.00  0.00           H  
HETATM   47  H   UNL     1       2.592   3.581   0.461  1.00  0.00           H  
HETATM   48  H   UNL     1       1.032   1.562   2.221  1.00  0.00           H  
HETATM   49  H   UNL     1       1.824   3.052   3.914  1.00  0.00           H  
HETATM   50  H   UNL     1       2.695   4.071   2.609  1.00  0.00           H  
HETATM   51  H   UNL     1       2.970   1.592  -1.101  1.00  0.00           H  
HETATM   52  H   UNL     1       3.885   1.632   0.399  1.00  0.00           H  
HETATM   53  H   UNL     1       3.806   0.002   1.901  1.00  0.00           H  
HETATM   54  H   UNL     1       2.576  -1.284   1.853  1.00  0.00           H  
HETATM   55  H   UNL     1       4.075  -4.341  -1.196  1.00  0.00           H  
HETATM   56  H   UNL     1       6.381  -3.670  -1.737  1.00  0.00           H  
HETATM   57  H   UNL     1       7.254  -1.510  -0.868  1.00  0.00           H  
HETATM   58  H   UNL     1       5.758  -0.098   0.528  1.00  0.00           H  
CONECT    1    8    2    2   33                                       
CONECT    2    1    1    4    3                                       
CONECT    3    2                                                      
CONECT    4    5    5    2   34                                       
CONECT    5    7    6    4    4                                       
CONECT    6    5                                                      
CONECT    7    8    8    5   35                                       
CONECT    8    9    7    7    1                                       
CONECT    9   10   10   12   12                                       
CONECT    9    8   13                                                 
CONECT   10   11    9    9                                            
CONECT   11   10   36   37   38                                       
CONECT   12    9    9                                                 
CONECT   13    9   14   20                                            
CONECT   14   17   13   15   39                                       
CONECT   15   14   16   16   25                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   40   41                                       
CONECT   18   17   19   42   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20   13   19   21   46                                       
CONECT   21   20   24   22   47                                       
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   49   50                                       
CONECT   24   25   21   51   52                                       
CONECT   25   15   24   26                                            
CONECT   26   25   27   53   54                                       
CONECT   27   32   26   28   28                                       
CONECT   28   27   27   29                                            
CONECT   29   30   30   28   55                                       
CONECT   30   31   29   29   56                                       
CONECT   31   32   32   30   57                                       
CONECT   32   31   31   27   58                                       
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
