COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.040   1.649   0.008  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.163   1.144   0.917  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.430  -0.271   0.621  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.943  -0.435  -0.746  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.227  -1.087   0.833  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.104  -0.581  -0.076  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.837   0.833   0.220  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.712   1.335  -0.580  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.425   0.628  -0.152  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.254   1.151  -0.986  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.986   0.454  -0.564  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.603  -0.720  -1.185  1.00  0.00           C  
HETATM   13  C   UNL     1       0.560  -1.361  -0.798  1.00  0.00           C  
HETATM   14 CL   UNL     1       1.041  -2.835  -1.578  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.203   0.992   0.440  1.00  0.00           C  
HETATM   16  C   UNL     1       0.961   0.352   0.828  1.00  0.00           C  
HETATM   17 CL   UNL     1       1.944   1.028   2.089  1.00  0.00          Cl  
HETATM   18  C   UNL     1       1.341  -0.826   0.211  1.00  0.00           C  
HETATM   19  S   UNL     1       2.823  -1.641   0.705  1.00  0.00           S  
HETATM   20  O   UNL     1       3.171  -1.106   1.975  1.00  0.00           O  
HETATM   21  O   UNL     1       2.612  -3.028   0.478  1.00  0.00           O  
HETATM   22  N   UNL     1       4.015  -1.171  -0.344  1.00  0.00           N  
HETATM   23  C   UNL     1       4.457   0.166  -0.353  1.00  0.00           C  
HETATM   24  C   UNL     1       4.232   1.075  -1.336  1.00  0.00           C  
HETATM   25  C   UNL     1       3.467   0.836  -2.611  1.00  0.00           C  
HETATM   26  N   UNL     1       4.823   2.240  -0.959  1.00  0.00           N  
HETATM   27  C   UNL     1       4.830   3.490  -1.723  1.00  0.00           C  
HETATM   28  N   UNL     1       5.425   2.033   0.289  1.00  0.00           N  
HETATM   29  C   UNL     1       5.202   0.796   0.654  1.00  0.00           C  
HETATM   30  C   UNL     1       5.669   0.157   1.936  1.00  0.00           C  
HETATM   31  H   UNL     1      -7.353   1.572  -1.034  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.821   2.690   0.246  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.861   1.246   1.959  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.066   1.729   0.740  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.206  -0.062  -1.458  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.132  -1.491  -0.939  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.871   0.127  -0.856  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.914  -1.010   1.874  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.446  -2.128   0.595  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.202  -1.167   0.101  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.406  -0.684  -1.118  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.901   1.138  -1.636  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.606   2.409  -0.424  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.236   0.825   0.903  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.531  -0.446  -0.308  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.443   0.954  -2.041  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.147   2.224  -0.830  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.213  -1.138  -1.973  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.500   1.911   0.922  1.00  0.00           H  
HETATM   50  H   UNL     1       4.408  -1.816  -0.952  1.00  0.00           H  
HETATM   51  H   UNL     1       2.414   1.069  -2.452  1.00  0.00           H  
HETATM   52  H   UNL     1       3.865   1.476  -3.399  1.00  0.00           H  
HETATM   53  H   UNL     1       3.567  -0.208  -2.906  1.00  0.00           H  
HETATM   54  H   UNL     1       3.963   4.090  -1.445  1.00  0.00           H  
HETATM   55  H   UNL     1       5.741   4.046  -1.503  1.00  0.00           H  
HETATM   56  H   UNL     1       4.790   3.265  -2.789  1.00  0.00           H  
HETATM   57  H   UNL     1       6.696  -0.187   1.818  1.00  0.00           H  
HETATM   58  H   UNL     1       5.621   0.887   2.744  1.00  0.00           H  
HETATM   59  H   UNL     1       5.027  -0.691   2.174  1.00  0.00           H  
CONECT    1    2    7   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2    4    5                                            
CONECT    4    3   35   36   37                                       
CONECT    5    3    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    1    6    8                                            
CONECT    8    7    9   42   43                                       
CONECT    9    8   10   44   45                                       
CONECT   10    9   11   46   47                                       
CONECT   11   10   12   15   15                                       
CONECT   12   11   13   13   48                                       
CONECT   13   12   12   14   18                                       
CONECT   14   13                                                      
CONECT   15   11   11   16   49                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   13   16   16   19                                       
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   50                                            
CONECT   23   22   24   24   29                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24   51   52   53                                       
CONECT   26   24   27   28                                            
CONECT   27   26   54   55   56                                       
CONECT   28   26   29   29                                            
CONECT   29   23   28   28   30                                       
CONECT   30   29   57   58   59                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
