COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.946   3.065  -1.520  1.00  0.00           C  
HETATM    2  C   UNL     1       3.079   1.926  -1.049  1.00  0.00           C  
HETATM    3  C   UNL     1       4.333   1.913   1.040  1.00  0.00           C  
HETATM    4  N   UNL     1       4.286  -6.065  -0.616  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.045  -2.886   1.981  1.00  0.00           C  
HETATM    6  C   UNL     1       4.037  -1.290  -0.353  1.00  0.00           C  
HETATM    7  C   UNL     1       4.389  -2.579  -0.591  1.00  0.00           C  
HETATM    8  N   UNL     1       3.277   1.389   0.172  1.00  0.00           N  
HETATM    9  C   UNL     1       3.974  -4.993  -0.408  1.00  0.00           C  
HETATM   10  C   UNL     1       3.581  -3.641  -0.145  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.056   3.085   1.587  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.679   1.758   1.466  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.617   1.790  -0.719  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.785   3.777   2.753  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.137   3.148   3.799  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.758   1.823   3.685  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.027   1.123   2.520  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.828   0.865  -1.920  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.063  -0.068  -1.714  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.461  -2.208  -0.866  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.068  -2.383  -0.684  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.230  -1.382  -1.029  1.00  0.00           C  
HETATM   23  C   UNL     1       0.494  -0.458   1.734  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.945   1.075   0.320  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.654  -0.179   2.405  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.737  -0.221  -1.546  1.00  0.00           N  
HETATM   27  C   UNL     1       0.843  -1.768   1.497  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.921  -1.049  -1.378  1.00  0.00           N  
HETATM   29  C   UNL     1       2.029  -2.061   0.802  1.00  0.00           C  
HETATM   30  C   UNL     1       2.408  -3.388   0.547  1.00  0.00           C  
HETATM   31  O   UNL     1       2.204   1.492  -1.768  1.00  0.00           O  
HETATM   32  C   UNL     1       2.855  -1.001   0.351  1.00  0.00           C  
HETATM   33  C   UNL     1       2.474   0.333   0.608  1.00  0.00           C  
HETATM   34  C   UNL     1       1.306   0.589   1.292  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.236  -3.097  -0.562  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.493   0.974  -2.170  1.00  0.00           O  
HETATM   37 CL   UNL     1       3.440   3.559  -3.178  1.00  0.00          Cl  
HETATM   38  H   UNL     1       3.836   3.910  -0.840  1.00  0.00           H  
HETATM   39  H   UNL     1       4.988   2.746  -1.538  1.00  0.00           H  
HETATM   40  H   UNL     1       5.260   1.371   0.853  1.00  0.00           H  
HETATM   41  H   UNL     1       4.483   2.973   0.831  1.00  0.00           H  
HETATM   42  H   UNL     1       4.043   1.786   2.083  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.774  -3.131   1.209  1.00  0.00           H  
HETATM   44  H   UNL     1       0.563  -3.764   2.199  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.565  -2.570   2.885  1.00  0.00           H  
HETATM   46  H   UNL     1       4.667  -0.485  -0.702  1.00  0.00           H  
HETATM   47  H   UNL     1       5.301  -2.793  -1.129  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.558   3.580   0.769  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.013   2.645  -1.021  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.583   2.138  -0.354  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.080   4.812   2.846  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.927   3.692   4.708  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.252   1.333   4.504  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.260   1.433  -2.744  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.870   0.447  -2.229  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.680  -3.305  -0.275  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.164  -1.497  -0.898  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.874  -0.922  -1.505  1.00  0.00           H  
HETATM   59  H   UNL     1       1.787  -4.206   0.884  1.00  0.00           H  
HETATM   60  H   UNL     1       1.015   1.610   1.488  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    8   31   31    1                                       
CONECT    3    8   40   41   42                                       
CONECT    4    9    9    9                                            
CONECT    5   27   43   44   45                                       
CONECT    6   32    7    7   46                                       
CONECT    7    6    6   10   47                                       
CONECT    8    3   33    2                                            
CONECT    9   10    4    4    4                                       
CONECT   10   30   30    7    9                                       
CONECT   11   12   12   14   48                                       
CONECT   12   24   11   11   17                                       
CONECT   13   18   24   49   50                                       
CONECT   14   11   15   15   51                                       
CONECT   15   14   14   16   52                                       
CONECT   16   17   17   15   53                                       
CONECT   17   12   25   16   16                                       
CONECT   18   13   26   54   55                                       
CONECT   19   36   36   26   28                                       
CONECT   20   28   21   35   35                                       
CONECT   21   22   22   20   56                                       
CONECT   22   26   21   21   57                                       
CONECT   23   25   34   34   27                                       
CONECT   24   13   12                                                 
CONECT   25   17   23                                                 
CONECT   26   18   19   22                                            
CONECT   27   23    5   29   29                                       
CONECT   28   19   20   58                                            
CONECT   29   27   27   32   30                                       
CONECT   30   29   10   10   59                                       
CONECT   31    2    2                                                 
CONECT   32   33   33   29    6                                       
CONECT   33   34    8   32   32                                       
CONECT   34   23   23   33   60                                       
CONECT   35   20   20                                                 
CONECT   36   19   19                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
