COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.786   0.325  -0.744  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.222  -0.891  -1.114  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.861  -1.080  -1.014  1.00  0.00           C  
HETATM    4  O   UNL     1       8.503   1.643  -1.058  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.583  -0.250  -0.434  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.771   0.781   0.038  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.411   0.592   0.144  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.845  -0.630  -0.221  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.658  -1.661  -0.694  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.018  -1.472  -0.799  1.00  0.00           C  
HETATM   11  C   UNL     1       0.618  -0.832  -0.108  1.00  0.00           C  
HETATM   12  C   UNL     1       2.749   0.047  -0.262  1.00  0.00           C  
HETATM   13  C   UNL     1       4.956   0.211  -0.210  1.00  0.00           C  
HETATM   14  C   UNL     1       7.288  -0.175  -0.005  1.00  0.00           C  
HETATM   15  C   UNL     1      10.679   1.170  -0.169  1.00  0.00           C  
HETATM   16  C   UNL     1       9.854   2.128  -1.048  1.00  0.00           C  
HETATM   17  C   UNL     1       8.545   0.226  -0.808  1.00  0.00           C  
HETATM   18  C   UNL     1       3.318  -1.190   0.095  1.00  0.00           C  
HETATM   19  C   UNL     1       1.113  -2.090   0.246  1.00  0.00           C  
HETATM   20  S   UNL     1     -10.039   1.269   0.474  1.00  0.00           S  
HETATM   21  C   UNL     1     -11.583   1.097  -0.455  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.503  -0.050   1.590  1.00  0.00           C  
HETATM   23  N   UNL     1      -9.165   0.512  -0.840  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.977   1.354  -0.273  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.615   1.170  -0.173  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.048  -0.050  -0.542  1.00  0.00           C  
HETATM   27  N   UNL     1       1.438   0.182  -0.350  1.00  0.00           N  
HETATM   28  C   UNL     1       7.712  -0.048   1.470  1.00  0.00           C  
HETATM   29  N   UNL     1       3.811   0.913  -0.448  1.00  0.00           N  
HETATM   30  C   UNL     1       9.682   0.067   0.249  1.00  0.00           C  
HETATM   31  N   UNL     1       4.665  -1.024   0.109  1.00  0.00           N  
HETATM   32 CL   UNL     1       0.022  -3.406   0.551  1.00  0.00          Cl  
HETATM   33  O   UNL     1     -10.868   1.987   1.720  1.00  0.00           O  
HETATM   34  O   UNL     1       9.058   0.450   1.488  1.00  0.00           O  
HETATM   35  C   UNL     1       2.477  -2.278   0.351  1.00  0.00           C  
HETATM   36  O   UNL     1      11.176   1.855   0.983  1.00  0.00           O  
HETATM   37  O   UNL     1       6.208   0.716  -0.291  1.00  0.00           O  
HETATM   38  H   UNL     1      -7.853  -1.688  -1.479  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.424  -2.025  -1.301  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.208   1.727   0.320  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.782   1.391   0.509  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.220  -2.607  -0.976  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.647  -2.271  -1.165  1.00  0.00           H  
HETATM   44  H   UNL     1       7.004  -1.202  -0.231  1.00  0.00           H  
HETATM   45  H   UNL     1      11.503   0.742  -0.740  1.00  0.00           H  
HETATM   46  H   UNL     1      10.252   2.135  -2.063  1.00  0.00           H  
HETATM   47  H   UNL     1       9.884   3.133  -0.629  1.00  0.00           H  
HETATM   48  H   UNL     1       8.687  -0.366  -1.712  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.739   1.984  -1.069  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.526   0.217  -1.095  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.415   0.987   0.241  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.559   0.230   2.057  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.258  -0.203   2.362  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.369  -0.973   1.025  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.640   0.223  -1.635  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.417   2.298   0.013  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.987   1.969   0.193  1.00  0.00           H  
HETATM   58  H   UNL     1       7.052   0.649   1.986  1.00  0.00           H  
HETATM   59  H   UNL     1       7.672  -1.025   1.952  1.00  0.00           H  
HETATM   60  H   UNL     1       3.752   1.847  -0.702  1.00  0.00           H  
HETATM   61  H   UNL     1      10.124  -0.930   0.266  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.311   2.241   2.468  1.00  0.00           H  
HETATM   63  H   UNL     1       2.884  -3.241   0.622  1.00  0.00           H  
HETATM   64  H   UNL     1      11.807   2.559   0.780  1.00  0.00           H  
CONECT    1   23    2    2   24                                       
CONECT    2    1    1    3   38                                       
CONECT    3    2   26   26   39                                       
CONECT    4   16   17                                                 
CONECT    5   26    6    6   10                                       
CONECT    6    5    5    7   40                                       
CONECT    7    6    8    8   41                                       
CONECT    8    7    7    9   11                                       
CONECT    9   10   10    8   42                                       
CONECT   10    5    9    9   43                                       
CONECT   11    8   19   19   27                                       
CONECT   12   27   27   18   29                                       
CONECT   13   29   31   31   37                                       
CONECT   14   37   17   28   44                                       
CONECT   15   16   30   36   45                                       
CONECT   16    4   15   46   47                                       
CONECT   17    4   14   30   48                                       
CONECT   18   35   35   12   31                                       
CONECT   19   32   11   11   35                                       
CONECT   20   22   33   23   21                                       
CONECT   21   20   49   50   51                                       
CONECT   22   20   52   53   54                                       
CONECT   23   20    1   55                                            
CONECT   24    1   25   25   56                                       
CONECT   25   24   24   26   57                                       
CONECT   26    3    3   25    5                                       
CONECT   27   11   12   12                                            
CONECT   28   14   34   58   59                                       
CONECT   29   12   13   60                                            
CONECT   30   17   15   34   61                                       
CONECT   31   18   13   13                                            
CONECT   32   19                                                      
CONECT   33   20   62                                                 
CONECT   34   28   30                                                 
CONECT   35   19   18   18   63                                       
CONECT   36   15   64                                                 
CONECT   37   13   14                                                 
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
