COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.342   0.815   8.774  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.125   1.292   8.954  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.085   0.905   8.135  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.637  -0.477   6.946  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.619  -0.044   7.812  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.336  -0.002   7.105  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.315  -0.418   6.256  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.915  -1.358   5.304  1.00  0.00           C  
HETATM    9  C   UNL     1       0.150  -1.857   4.327  1.00  0.00           C  
HETATM   10  C   UNL     1       1.231   0.380   4.530  1.00  0.00           C  
HETATM   11  C   UNL     1       0.108   0.762   5.496  1.00  0.00           C  
HETATM   12  C   UNL     1       0.710  -0.667   3.541  1.00  0.00           C  
HETATM   13  C   UNL     1       1.838  -1.132   2.657  1.00  0.00           C  
HETATM   14  O   UNL     1       2.470  -2.125   2.952  1.00  0.00           O  
HETATM   15  N   UNL     1       2.146  -0.445   1.539  1.00  0.00           N  
HETATM   16  C   UNL     1       3.161  -0.951   0.606  1.00  0.00           C  
HETATM   17  C   UNL     1       2.535  -1.054  -0.790  1.00  0.00           C  
HETATM   18  C   UNL     1       0.849   0.723  -0.160  1.00  0.00           C  
HETATM   19  C   UNL     1       1.471   0.824   1.232  1.00  0.00           C  
HETATM   20  N   UNL     1       1.861   0.214  -1.097  1.00  0.00           N  
HETATM   21  S   UNL     1       2.239   1.059  -2.470  1.00  0.00           S  
HETATM   22  O   UNL     1       3.542   0.631  -2.840  1.00  0.00           O  
HETATM   23  O   UNL     1       1.855   2.403  -2.215  1.00  0.00           O  
HETATM   24  C   UNL     1       1.168   0.491  -3.749  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.030   1.106  -3.943  1.00  0.00           C  
HETATM   26  C   UNL     1       1.562  -0.580  -4.548  1.00  0.00           C  
HETATM   27  C   UNL     1       0.759  -1.043  -5.545  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.886   0.656  -4.962  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.486  -0.433  -5.774  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.344  -0.888  -6.790  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.935   0.803  -6.187  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.131   1.266  -5.191  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.541  -0.269  -6.987  1.00  0.00           C  
HETATM   34 CL   UNL     1      -3.596  -0.828  -8.247  1.00  0.00          Cl  
HETATM   35  H   UNL     1      -1.940   1.994   9.754  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.091   1.298   8.288  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.871  -1.180   6.160  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.629  -0.410   7.699  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.708  -0.855   4.750  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.335  -2.205   5.846  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.295  -2.572   3.636  1.00  0.00           H  
HETATM   42  H   UNL     1       0.955  -2.338   4.881  1.00  0.00           H  
HETATM   43  H   UNL     1       2.069  -0.033   5.091  1.00  0.00           H  
HETATM   44  H   UNL     1       1.559   1.264   3.984  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.737   1.153   4.932  1.00  0.00           H  
HETATM   46  H   UNL     1       0.468   1.526   6.185  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.078  -0.231   2.928  1.00  0.00           H  
HETATM   48  H   UNL     1       3.497  -1.936   0.929  1.00  0.00           H  
HETATM   49  H   UNL     1       4.007  -0.264   0.577  1.00  0.00           H  
HETATM   50  H   UNL     1       1.810  -1.867  -0.806  1.00  0.00           H  
HETATM   51  H   UNL     1       3.315  -1.242  -1.528  1.00  0.00           H  
HETATM   52  H   UNL     1       0.514   1.709  -0.483  1.00  0.00           H  
HETATM   53  H   UNL     1       0.003   0.036  -0.135  1.00  0.00           H  
HETATM   54  H   UNL     1       0.691   1.011   1.970  1.00  0.00           H  
HETATM   55  H   UNL     1       2.197   1.637   1.249  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.321   1.936  -3.316  1.00  0.00           H  
HETATM   57  H   UNL     1       2.518  -1.050  -4.374  1.00  0.00           H  
HETATM   58  H   UNL     1       1.077  -1.874  -6.157  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.054  -1.720  -7.414  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.891   1.274  -6.361  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.449   2.098  -4.580  1.00  0.00           H  
CONECT    1    2    2    5                                            
CONECT    2    1    1    3   35                                       
CONECT    3    2    6    6   36                                       
CONECT    4    5    5    6   37                                       
CONECT    5    1    4    4   38                                       
CONECT    6    3    3    4    7                                       
CONECT    7    6    8   11                                            
CONECT    8    7    9   39   40                                       
CONECT    9    8   12   41   42                                       
CONECT   10   11   12   43   44                                       
CONECT   11    7   10   45   46                                       
CONECT   12    9   10   13   47                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   19                                            
CONECT   16   15   17   48   49                                       
CONECT   17   16   20   50   51                                       
CONECT   18   19   20   52   53                                       
CONECT   19   15   18   54   55                                       
CONECT   20   17   18   21                                            
CONECT   21   20   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   25   26                                       
CONECT   25   24   24   28   56                                       
CONECT   26   24   27   27   57                                       
CONECT   27   26   26   29   58                                       
CONECT   28   25   29   29   32                                       
CONECT   29   27   28   28   30                                       
CONECT   30   29   33   33   59                                       
CONECT   31   32   32   33   60                                       
CONECT   32   28   31   31   61                                       
CONECT   33   30   30   31   34                                       
CONECT   34   33                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
