COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.134   1.173  -1.157  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.739  -0.993   2.282  1.00  0.00           N  
HETATM    3  C   UNL     1       0.958   1.782   0.794  1.00  0.00           C  
HETATM    4  C   UNL     1       1.115   0.986  -0.334  1.00  0.00           C  
HETATM    5  C   UNL     1       3.034   2.113  -0.944  1.00  0.00           C  
HETATM    6  C   UNL     1       0.516  -1.086  -1.554  1.00  0.00           C  
HETATM    7  C   UNL     1       1.314  -2.157  -0.856  1.00  0.00           C  
HETATM    8  C   UNL     1       1.422  -4.297   0.213  1.00  0.00           C  
HETATM    9  C   UNL     1       2.668  -1.982  -0.644  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.987  -1.140  -0.225  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.589  -1.269   1.682  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.452   1.039  -0.210  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.207   1.519  -1.461  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.007   1.244  -2.115  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.259  -0.023  -0.234  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.303   0.890   0.764  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.011  -0.018   0.015  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.303  -0.811   0.431  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.042   0.488  -1.522  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.481   0.256   0.432  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.677  -0.266   1.721  1.00  0.00           C  
HETATM   22  N   UNL     1       0.188  -0.023  -0.602  1.00  0.00           N  
HETATM   23  C   UNL     1       1.882   2.778   1.051  1.00  0.00           C  
HETATM   24  C   UNL     1       2.942   2.946   0.162  1.00  0.00           C  
HETATM   25  N   UNL     1       3.901   3.941   0.381  1.00  0.00           N  
HETATM   26  C   UNL     1       3.794   4.816   1.552  1.00  0.00           C  
HETATM   27  C   UNL     1       5.011   4.109  -0.560  1.00  0.00           C  
HETATM   28  C   UNL     1       3.401  -2.965  -0.003  1.00  0.00           C  
HETATM   29 CL   UNL     1       5.102  -2.746   0.265  1.00  0.00          Cl  
HETATM   30  C   UNL     1       2.777  -4.123   0.426  1.00  0.00           C  
HETATM   31  C   UNL     1       0.690  -3.312  -0.423  1.00  0.00           C  
HETATM   32  H   UNL     1       0.124   1.624   1.462  1.00  0.00           H  
HETATM   33  H   UNL     1       3.853   2.235  -1.638  1.00  0.00           H  
HETATM   34  H   UNL     1       1.104  -0.672  -2.374  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.404  -1.518  -1.949  1.00  0.00           H  
HETATM   36  H   UNL     1       0.935  -5.201   0.548  1.00  0.00           H  
HETATM   37  H   UNL     1       3.155  -1.078  -0.979  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.137  -1.268  -1.297  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.591  -2.063   0.199  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.859  -1.874   2.199  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.387   1.261   0.284  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.955   2.122  -1.954  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.840   1.638  -3.106  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.117   0.282  -2.040  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.597  -0.069   2.250  1.00  0.00           H  
HETATM   46  H   UNL     1       1.785   3.412   1.921  1.00  0.00           H  
HETATM   47  H   UNL     1       4.331   4.370   2.389  1.00  0.00           H  
HETATM   48  H   UNL     1       4.227   5.789   1.319  1.00  0.00           H  
HETATM   49  H   UNL     1       2.744   4.940   1.818  1.00  0.00           H  
HETATM   50  H   UNL     1       4.723   4.813  -1.340  1.00  0.00           H  
HETATM   51  H   UNL     1       5.883   4.491  -0.028  1.00  0.00           H  
HETATM   52  H   UNL     1       5.254   3.147  -1.010  1.00  0.00           H  
HETATM   53  H   UNL     1       3.348  -4.891   0.927  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.370  -3.447  -0.585  1.00  0.00           H  
CONECT    1    5    5    4                                            
CONECT    2   21   11   11                                            
CONECT    3   23    4    4   32                                       
CONECT    4    3    3    1   22                                       
CONECT    5   24    1    1   33                                       
CONECT    6   22    7   34   35                                       
CONECT    7    6    9    9   31                                       
CONECT    8   31   31   30   36                                       
CONECT    9    7    7   28   37                                       
CONECT   10   18   17   38   39                                       
CONECT   11    2    2   18   40                                       
CONECT   12   13   13   20   41                                       
CONECT   13   12   12   14   42                                       
CONECT   14   13   19   19   43                                       
CONECT   15   20   19   18   18                                       
CONECT   16   17   17                                                 
CONECT   17   10   22   16   16                                       
CONECT   18   15   15   11   10                                       
CONECT   19   14   14   15   44                                       
CONECT   20   12   21   21   15                                       
CONECT   21   20   20    2   45                                       
CONECT   22    4   17    6                                            
CONECT   23   24   24    3   46                                       
CONECT   24   25   23   23    5                                       
CONECT   25   27   26   24                                            
CONECT   26   25   47   48   49                                       
CONECT   27   25   50   51   52                                       
CONECT   28    9   29   30   30                                       
CONECT   29   28                                                      
CONECT   30   28   28    8   53                                       
CONECT   31    7    8    8   54                                       
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
