COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.844   0.728  -0.060  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.892   2.095  -0.016  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.235   3.435   0.201  1.00  0.00           C  
HETATM    4  C   UNL     1       0.059   3.508  -0.611  1.00  0.00           C  
HETATM    5  C   UNL     1       3.456   2.127   0.531  1.00  0.00           C  
HETATM    6  C   UNL     1       4.555   3.192   0.512  1.00  0.00           C  
HETATM    7  C   UNL     1       4.009   0.813  -0.024  1.00  0.00           C  
HETATM    8  C   UNL     1       6.359   0.978  -0.404  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.449  -2.929  -0.690  1.00  0.00           C  
HETATM   10  C   UNL     1       3.204  -2.960   0.425  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.766  -2.871   1.383  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.647  -2.874  -0.120  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.889  -2.814  -0.972  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.708  -1.608  -0.592  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.075  -1.727  -0.428  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.833  -0.621  -0.071  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.744  -2.034  -0.123  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.219   0.610   0.109  1.00  0.00           C  
HETATM   19  C   UNL     1       1.214   3.053   0.242  1.00  0.00           C  
HETATM   20  C   UNL     1       1.123   3.140   1.743  1.00  0.00           C  
HETATM   21  C   UNL     1       2.300   2.583  -0.322  1.00  0.00           C  
HETATM   22  C   UNL     1       3.141  -0.351   0.460  1.00  0.00           C  
HETATM   23  C   UNL     1       3.920  -1.636   0.356  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.091  -0.386  -0.409  1.00  0.00           C  
HETATM   25  C   UNL     1       0.764  -2.985   0.144  1.00  0.00           C  
HETATM   26  C   UNL     1       1.962  -2.904  -0.424  1.00  0.00           C  
HETATM   27  C   UNL     1       3.834  -5.270   0.539  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.225   1.969   0.129  1.00  0.00           N  
HETATM   29  N   UNL     1       7.643   0.931   0.004  1.00  0.00           N  
HETATM   30  O   UNL     1      -7.177  -0.740   0.090  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.049   2.661  -1.757  1.00  0.00           O  
HETATM   32  O   UNL     1       5.371   0.626   0.441  1.00  0.00           O  
HETATM   33  O   UNL     1       6.093   1.338  -1.533  1.00  0.00           O  
HETATM   34  O   UNL     1       5.120  -1.604   0.218  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.221   1.132  -0.322  1.00  0.00           O  
HETATM   36  O   UNL     1       4.065  -3.993  -0.059  1.00  0.00           O  
HETATM   37 CL   UNL     1      -6.165   1.998   0.545  1.00  0.00          Cl  
HETATM   38  H   UNL     1      -1.911   4.227  -0.121  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.008   3.560   1.259  1.00  0.00           H  
HETATM   40  H   UNL     1       0.228   4.535  -0.934  1.00  0.00           H  
HETATM   41  H   UNL     1       3.114   1.975   1.555  1.00  0.00           H  
HETATM   42  H   UNL     1       4.160   4.128   0.906  1.00  0.00           H  
HETATM   43  H   UNL     1       5.391   2.862   1.129  1.00  0.00           H  
HETATM   44  H   UNL     1       4.897   3.343  -0.512  1.00  0.00           H  
HETATM   45  H   UNL     1       3.998   0.845  -1.114  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.361  -2.923  -1.766  1.00  0.00           H  
HETATM   47  H   UNL     1       2.929  -3.171   1.458  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.268  -1.989   1.785  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.819  -2.854   1.664  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.297  -3.769   1.786  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.605  -2.743  -2.022  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.479  -3.717  -0.817  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.554  -2.684  -0.572  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.542  -2.355  -1.145  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.301  -2.745   0.575  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.821  -1.990   0.038  1.00  0.00           H  
HETATM   57  H   UNL     1       0.705   2.212   2.136  1.00  0.00           H  
HETATM   58  H   UNL     1       2.118   3.295   2.160  1.00  0.00           H  
HETATM   59  H   UNL     1       0.479   3.974   2.021  1.00  0.00           H  
HETATM   60  H   UNL     1       2.367   2.522  -1.398  1.00  0.00           H  
HETATM   61  H   UNL     1       2.853  -0.183   1.497  1.00  0.00           H  
HETATM   62  H   UNL     1       2.246  -0.418  -0.159  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.023  -0.296  -0.539  1.00  0.00           H  
HETATM   64  H   UNL     1       0.681  -3.094   1.214  1.00  0.00           H  
HETATM   65  H   UNL     1       2.045  -2.798  -1.495  1.00  0.00           H  
HETATM   66  H   UNL     1       4.528  -5.998   0.118  1.00  0.00           H  
HETATM   67  H   UNL     1       3.989  -5.200   1.615  1.00  0.00           H  
HETATM   68  H   UNL     1       2.810  -5.585   0.338  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.759   2.743   0.366  1.00  0.00           H  
HETATM   70  H   UNL     1       8.355   1.185  -0.604  1.00  0.00           H  
HETATM   71  H   UNL     1       7.855   0.644   0.906  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.774   2.896  -2.353  1.00  0.00           H  
CONECT    1   18   18   24   28                                       
CONECT    2    3   28   35   35                                       
CONECT    3    4    2   38   39                                       
CONECT    4    3   19   31   40                                       
CONECT    5    6   21    7   41                                       
CONECT    6    5   42   43   44                                       
CONECT    7    5   22   32   45                                       
CONECT    8   32   29   33   33                                       
CONECT    9   12   12   25   46                                       
CONECT   10   36   26   23   47                                       
CONECT   11   12   48   49   50                                       
CONECT   12   11   13    9    9                                       
CONECT   13   14   12   51   52                                       
CONECT   14   15   13   24   24                                       
CONECT   15   16   16   14   53                                       
CONECT   16   30   15   15   18                                       
CONECT   17   30   54   55   56                                       
CONECT   18   16   37    1    1                                       
CONECT   19   20    4   21   21                                       
CONECT   20   19   57   58   59                                       
CONECT   21   19   19    5   60                                       
CONECT   22   23    7   61   62                                       
CONECT   23   10   22   34   34                                       
CONECT   24   14   14    1   63                                       
CONECT   25    9   26   26   64                                       
CONECT   26   25   25   10   65                                       
CONECT   27   36   66   67   68                                       
CONECT   28    1    2   69                                            
CONECT   29    8   70   71                                            
CONECT   30   17   16                                                 
CONECT   31    4   72                                                 
CONECT   32    7    8                                                 
CONECT   33    8    8                                                 
CONECT   34   23   23                                                 
CONECT   35    2    2                                                 
CONECT   36   27   10                                                 
CONECT   37   18                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
