COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.111   1.872  -0.548  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.483  -0.483  -0.192  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.802  -0.801  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.174  -2.125   0.267  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.720  -4.480   0.628  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.922  -2.869   0.164  1.00  0.00           C  
HETATM    7  C   UNL     1       2.726  -0.957   0.173  1.00  0.00           C  
HETATM    8  C   UNL     1       2.618   0.967   1.589  1.00  0.00           C  
HETATM    9  C   UNL     1       4.054  -0.596  -0.131  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.473   3.202  -0.236  1.00  0.00           C  
HETATM   11  N   UNL     1       5.462  -2.019  -1.739  1.00  0.00           N  
HETATM   12  C   UNL     1       4.839  -1.390  -1.028  1.00  0.00           C  
HETATM   13  C   UNL     1       4.589   0.551   0.460  1.00  0.00           C  
HETATM   14 CL   UNL     1       6.222   1.020   0.105  1.00  0.00          Cl  
HETATM   15  N   UNL     1       3.865   1.280   1.285  1.00  0.00           N  
HETATM   16  C   UNL     1       2.008  -0.144   1.048  1.00  0.00           C  
HETATM   17  N   UNL     1       2.148  -2.086  -0.388  1.00  0.00           N  
HETATM   18  C   UNL     1       0.784  -2.339  -0.204  1.00  0.00           C  
HETATM   19  C   UNL     1       0.348  -3.635   0.065  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.991  -3.900   0.248  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.127  -1.301  -0.291  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.486  -1.561  -0.107  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.270  -3.115   0.346  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.355  -2.386   0.434  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.101   0.814  -0.462  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.695   1.906  -1.961  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.313   3.501  -0.787  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.723   4.659  -0.536  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.341   5.560   0.316  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.560   5.209   0.876  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.092   4.036   0.575  1.00  0.00           N  
HETATM   32  H   UNL     1      -3.907   1.674   0.170  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.555  -0.030  -0.058  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.728  -4.644   1.706  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.726  -4.620   0.232  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.041  -5.191   0.157  1.00  0.00           H  
HETATM   37  H   UNL     1       2.063   1.599   2.267  1.00  0.00           H  
HETATM   38  H   UNL     1       0.987  -0.387   1.306  1.00  0.00           H  
HETATM   39  H   UNL     1       2.690  -2.701  -0.907  1.00  0.00           H  
HETATM   40  H   UNL     1       1.066  -4.439   0.129  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.319  -4.907   0.457  1.00  0.00           H  
HETATM   42  H   UNL     1       0.212  -0.297  -0.499  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.164   1.026  -0.594  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.899   2.104  -2.679  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.156   0.944  -2.187  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.446   2.693  -2.026  1.00  0.00           H  
HETATM   47  H   UNL     1       0.227   4.898  -0.990  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.884   6.513   0.540  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.070   5.886   1.545  1.00  0.00           H  
CONECT    1   26   10   25   32                                       
CONECT    2   25   22    3    3                                       
CONECT    3    2    2    4   33                                       
CONECT    4   23    3   24   24                                       
CONECT    5   23   34   35   36                                       
CONECT    6   20   22   22   23                                       
CONECT    7    9    9   16   17                                       
CONECT    8   15   16   16   37                                       
CONECT    9   13   12    7    7                                       
CONECT   10   27    1   31   31                                       
CONECT   11   12   12   12                                            
CONECT   12    9   11   11   11                                       
CONECT   13   14   15   15    9                                       
CONECT   14   13                                                      
CONECT   15   13   13    8                                            
CONECT   16    8    8    7   38                                       
CONECT   17    7   18   39                                            
CONECT   18   17   19   21   21                                       
CONECT   19   18   20   20   40                                       
CONECT   20   19   19    6   41                                       
CONECT   21   18   18   22   42                                       
CONECT   22   21    6    6    2                                       
CONECT   23    6    5    4                                            
CONECT   24    4    4                                                 
CONECT   25    1    2   43                                            
CONECT   26    1   44   45   46                                       
CONECT   27   28   28   10                                            
CONECT   28   27   27   29   47                                       
CONECT   29   28   30   30   48                                       
CONECT   30   29   29   31   49                                       
CONECT   31   10   10   30                                            
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
