COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.233  -0.813   2.765  1.00  0.00           C  
HETATM    2  C   UNL     1       2.833  -1.422   2.855  1.00  0.00           C  
HETATM    3  C   UNL     1       1.288   0.497   0.064  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.392   1.110   1.963  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.629   2.086   1.411  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.944   1.956   1.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.455   0.706   0.706  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.651  -0.413   0.819  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.337  -0.283   1.227  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.570   1.553   0.171  1.00  0.00           O  
HETATM   11  C   UNL     1       1.963   3.590  -1.770  1.00  0.00           C  
HETATM   12  C   UNL     1       2.852   3.252  -2.769  1.00  0.00           C  
HETATM   13  C   UNL     1       3.293   1.947  -2.900  1.00  0.00           C  
HETATM   14  C   UNL     1       2.844   0.969  -2.026  1.00  0.00           C  
HETATM   15  C   UNL     1       1.957   1.296  -1.026  1.00  0.00           C  
HETATM   16  C   UNL     1       0.436  -0.590  -0.539  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.869  -0.321  -0.907  1.00  0.00           C  
HETATM   18  C   UNL     1       2.452  -2.126   4.159  1.00  0.00           C  
HETATM   19  O   UNL     1       4.405  -0.203   1.484  1.00  0.00           O  
HETATM   20  C   UNL     1       1.732  -0.658   2.117  1.00  0.00           C  
HETATM   21  O   UNL     1       2.271  -0.073   0.930  1.00  0.00           O  
HETATM   22  N   UNL     1       0.447   1.441   0.809  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.825   0.968   1.518  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.862   0.566   0.270  1.00  0.00           N1+
HETATM   25  O   UNL     1      -6.312  -0.535   0.009  1.00  0.00           O1-
HETATM   26  C   UNL     1       0.575   2.661   0.258  1.00  0.00           C  
HETATM   27  O   UNL     1       0.005   3.662   0.647  1.00  0.00           O  
HETATM   28  C   UNL     1       1.506   2.611  -0.886  1.00  0.00           C  
HETATM   29 CL   UNL     1       3.400  -0.667  -2.194  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -1.650  -1.318  -1.460  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.127  -2.585  -1.645  1.00  0.00           C  
HETATM   32 CL   UNL     1      -2.108  -3.838  -2.339  1.00  0.00          Cl  
HETATM   33  C   UNL     1       0.180  -2.854  -1.276  1.00  0.00           C  
HETATM   34  C   UNL     1       0.962  -1.855  -0.728  1.00  0.00           C  
HETATM   35  C   UNL     1       2.728  -2.948   2.898  1.00  0.00           C  
HETATM   36  H   UNL     1       4.353  -0.060   3.544  1.00  0.00           H  
HETATM   37  H   UNL     1       4.979  -1.596   2.898  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.053   0.171   2.401  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.319   1.905   2.705  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.230   3.063   1.642  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.571   2.830   0.915  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.051  -1.390   0.588  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.710  -1.158   1.316  1.00  0.00           H  
HETATM   44  H   UNL     1       1.622   4.610  -1.671  1.00  0.00           H  
HETATM   45  H   UNL     1       3.206   4.010  -3.452  1.00  0.00           H  
HETATM   46  H   UNL     1       3.990   1.690  -3.684  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.278   0.668  -0.763  1.00  0.00           H  
HETATM   48  H   UNL     1       3.199  -2.155   4.952  1.00  0.00           H  
HETATM   49  H   UNL     1       1.416  -2.045   4.491  1.00  0.00           H  
HETATM   50  H   UNL     1       5.273   0.204   1.356  1.00  0.00           H  
HETATM   51  H   UNL     1       0.929  -1.346   1.850  1.00  0.00           H  
HETATM   52  H   UNL     1       1.338   0.127   2.763  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.670  -1.108  -1.747  1.00  0.00           H  
HETATM   54  H   UNL     1       0.589  -3.843  -1.420  1.00  0.00           H  
HETATM   55  H   UNL     1       1.983  -2.063  -0.445  1.00  0.00           H  
HETATM   56  H   UNL     1       1.874  -3.408   2.401  1.00  0.00           H  
HETATM   57  H   UNL     1       3.656  -3.517   2.862  1.00  0.00           H  
CONECT    1    2   19   36   37                                       
CONECT    2   35   20   18    1                                       
CONECT    3   15   21   22   16                                       
CONECT    4   22   23   38   39                                       
CONECT    5   23    6    6   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    8    8    6   24                                       
CONECT    8    9    7    7   42                                       
CONECT    9   23   23    8   43                                       
CONECT   10   24   24                                                 
CONECT   11   12   28   28   44                                       
CONECT   12   13   13   11   45                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   29   15   15                                       
CONECT   15   14   14   28    3                                       
CONECT   16    3   34   34   17                                       
CONECT   17   16   30   30   47                                       
CONECT   18   35    2   48   49                                       
CONECT   19    1   50                                                 
CONECT   20    2   21   51   52                                       
CONECT   21   20    3                                                 
CONECT   22   26    3    4                                            
CONECT   23    4    9    9    5                                       
CONECT   24    7   10   10   25                                       
CONECT   25   24                                                      
CONECT   26   28   27   27   22                                       
CONECT   27   26   26                                                 
CONECT   28   11   11   15   26                                       
CONECT   29   14                                                      
CONECT   30   17   17   31   53                                       
CONECT   31   33   33   30   32                                       
CONECT   32   31                                                      
CONECT   33   34   31   31   54                                       
CONECT   34   16   16   33   55                                       
CONECT   35   18    2   56   57                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   30                                                      
CONECT   54   33                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
