COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.804   1.544   1.335  1.00  0.00           C  
HETATM    2  C   UNL     1       0.034   0.438   1.922  1.00  0.00           C  
HETATM    3  C   UNL     1       2.101  -0.847   2.040  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.450   3.735   2.207  1.00  0.00           N  
HETATM    5  C   UNL     1       3.448  -0.869   1.365  1.00  0.00           C  
HETATM    6  C   UNL     1       3.636  -1.635   0.227  1.00  0.00           C  
HETATM    7  N   UNL     1       1.286   0.228   1.469  1.00  0.00           N  
HETATM    8  C   UNL     1       4.865  -1.656  -0.399  1.00  0.00           C  
HETATM    9  C   UNL     1       5.922  -0.900   0.117  1.00  0.00           C  
HETATM   10  C   UNL     1       7.236  -0.916  -0.546  1.00  0.00           C  
HETATM   11  C   UNL     1       8.252  -0.186  -0.045  1.00  0.00           C  
HETATM   12  N   UNL     1      10.576   0.527  -0.203  1.00  0.00           N  
HETATM   13  C   UNL     1       9.560  -0.202  -0.704  1.00  0.00           C  
HETATM   14  C   UNL     1       5.724  -0.129   1.267  1.00  0.00           C  
HETATM   15  C   UNL     1       4.490  -0.118   1.882  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.893   0.330   1.712  1.00  0.00           N  
HETATM   17 CL   UNL     1      -5.750  -5.386  -0.216  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -4.995  -3.837  -0.009  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.277  -2.808  -0.892  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.681  -1.575  -0.732  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.117  -3.632   1.042  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.516  -2.402   1.212  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.792  -1.365   0.322  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.148  -0.042   0.499  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.857   0.731  -0.724  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.981   2.100  -0.837  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.614   2.619  -2.420  1.00  0.00           S  
HETATM   28  C   UNL     1      -2.240   0.991  -2.953  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.788   0.627  -4.344  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.410   0.127  -1.967  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.161  -1.352  -2.119  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.325   2.945   0.221  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.968   2.741   1.516  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.090   4.536   1.427  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.045   4.092   0.196  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.671   4.734  -1.015  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.171   1.566   2.020  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.418  -0.264   2.802  1.00  0.00           O  
HETATM   39  O   UNL     1       9.728  -0.874  -1.705  1.00  0.00           O  
HETATM   40  O   UNL     1      11.840   0.512  -0.841  1.00  0.00           O  
HETATM   41  H   UNL     1      -0.304   2.500   1.491  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.935   1.373   0.267  1.00  0.00           H  
HETATM   43  H   UNL     1       1.601  -1.804   1.884  1.00  0.00           H  
HETATM   44  H   UNL     1       2.233  -0.676   3.108  1.00  0.00           H  
HETATM   45  H   UNL     1       2.819  -2.218  -0.170  1.00  0.00           H  
HETATM   46  H   UNL     1       1.648   0.789   0.766  1.00  0.00           H  
HETATM   47  H   UNL     1       5.010  -2.254  -1.286  1.00  0.00           H  
HETATM   48  H   UNL     1       7.385  -1.513  -1.433  1.00  0.00           H  
HETATM   49  H   UNL     1       8.103   0.410   0.843  1.00  0.00           H  
HETATM   50  H   UNL     1      10.442   1.063   0.594  1.00  0.00           H  
HETATM   51  H   UNL     1       6.535   0.458   1.672  1.00  0.00           H  
HETATM   52  H   UNL     1       4.334   0.480   2.767  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.965  -2.972  -1.709  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.901  -0.774  -1.422  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.904  -4.436   1.731  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.832  -2.243   2.033  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.732   1.528  -4.955  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.805   0.160  -4.295  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.500  -0.069  -4.787  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.054  -1.831  -2.519  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.326  -1.511  -2.801  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.922  -1.782  -1.146  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.684   4.352  -1.146  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.706   5.814  -0.877  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.078   4.499  -1.898  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.037   1.652   3.099  1.00  0.00           H  
HETATM   67  H   UNL     1      12.505   1.066  -0.410  1.00  0.00           H  
CONECT    1    2   37   41   42                                       
CONECT    2    7   38   38    1                                       
CONECT    3    5    7   43   44                                       
CONECT    4   33   33   34                                            
CONECT    5    6    6   15    3                                       
CONECT    6    8    5    5   45                                       
CONECT    7    3    2   46                                            
CONECT    8    9    9    6   47                                       
CONECT    9   10    8    8   14                                       
CONECT   10   11   11    9   48                                       
CONECT   11   13   10   10   49                                       
CONECT   12   40   13   50                                            
CONECT   13   39   39   11   12                                       
CONECT   14    9   15   15   51                                       
CONECT   15   14   14    5   52                                       
CONECT   16   24   24   37                                            
CONECT   17   18                                                      
CONECT   18   17   19   19   21                                       
CONECT   19   18   18   20   53                                       
CONECT   20   19   23   23   54                                       
CONECT   21   18   22   22   55                                       
CONECT   22   21   21   23   56                                       
CONECT   23   20   20   22   24                                       
CONECT   24   23   16   16   25                                       
CONECT   25   24   30   26   26                                       
CONECT   26   25   25   32   27                                       
CONECT   27   26   28                                                 
CONECT   28   30   30   29   27                                       
CONECT   29   28   57   58   59                                       
CONECT   30   31   25   28   28                                       
CONECT   31   30   60   61   62                                       
CONECT   32   33   26   35                                            
CONECT   33   37    4    4   32                                       
CONECT   34    4   35   35                                            
CONECT   35   32   34   34   36                                       
CONECT   36   35   63   64   65                                       
CONECT   37   16    1   33   66                                       
CONECT   38    2    2                                                 
CONECT   39   13   13                                                 
CONECT   40   12   67                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
