COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.012  -1.383   0.206  1.00  0.00           C  
HETATM    2  C   UNL     1       4.136  -2.385   0.164  1.00  0.00           C  
HETATM    3  O   UNL     1       4.201  -3.360   1.085  1.00  0.00           O  
HETATM    4  O   UNL     1       4.980  -2.311  -0.697  1.00  0.00           O  
HETATM    5  C   UNL     1       4.035   0.654  -0.469  1.00  0.00           C  
HETATM    6  C   UNL     1       4.192   1.715  -1.348  1.00  0.00           C  
HETATM    7  C   UNL     1       4.702   0.660   0.748  1.00  0.00           C  
HETATM    8  C   UNL     1       5.012   2.775  -1.011  1.00  0.00           C  
HETATM    9  C   UNL     1       5.521   1.721   1.081  1.00  0.00           C  
HETATM   10  C   UNL     1       5.676   2.778   0.202  1.00  0.00           C  
HETATM   11  C   UNL     1       6.570   3.934   0.567  1.00  0.00           C  
HETATM   12  C   UNL     1       1.684  -2.096  -0.057  1.00  0.00           C  
HETATM   13  C   UNL     1       0.531  -1.104   0.108  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.797  -1.816  -0.156  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.950  -0.824   0.009  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.190  -1.490  -0.236  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.322  -0.744  -0.131  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.561  -1.327  -0.356  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.710  -0.568  -0.247  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.626   0.772   0.086  1.00  0.00           C  
HETATM   21 CL   UNL     1      -8.072   1.724   0.222  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -5.392   1.355   0.312  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.240   0.598   0.209  1.00  0.00           C  
HETATM   24  O   UNL     1       3.224  -0.387  -0.796  1.00  0.00           O  
HETATM   25  H   UNL     1       2.982  -0.911   1.188  1.00  0.00           H  
HETATM   26  H   UNL     1       4.941  -3.979   1.017  1.00  0.00           H  
HETATM   27  H   UNL     1       3.674   1.713  -2.296  1.00  0.00           H  
HETATM   28  H   UNL     1       4.581  -0.165   1.434  1.00  0.00           H  
HETATM   29  H   UNL     1       5.135   3.601  -1.695  1.00  0.00           H  
HETATM   30  H   UNL     1       6.040   1.726   2.027  1.00  0.00           H  
HETATM   31  H   UNL     1       7.584   3.734   0.220  1.00  0.00           H  
HETATM   32  H   UNL     1       6.198   4.844   0.096  1.00  0.00           H  
HETATM   33  H   UNL     1       6.576   4.062   1.650  1.00  0.00           H  
HETATM   34  H   UNL     1       1.679  -2.492  -1.073  1.00  0.00           H  
HETATM   35  H   UNL     1       1.563  -2.914   0.653  1.00  0.00           H  
HETATM   36  H   UNL     1       0.535  -0.707   1.123  1.00  0.00           H  
HETATM   37  H   UNL     1       0.651  -0.285  -0.602  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.802  -2.213  -1.171  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.917  -2.634   0.554  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.946  -0.427   1.025  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.830  -0.006  -0.701  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.627  -2.373  -0.617  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.674  -1.021  -0.423  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.328   2.401   0.573  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.277   1.052   0.389  1.00  0.00           H  
CONECT    1    2   12   24   25                                       
CONECT    2    4    4    3    1                                       
CONECT    3    2   26                                                 
CONECT    4    2    2                                                 
CONECT    5   24    7    7    6                                       
CONECT    6    5    8    8   27                                       
CONECT    7    5    5    9   28                                       
CONECT    8   10    6    6   29                                       
CONECT    9    7   10   10   30                                       
CONECT   10    9    9   11    8                                       
CONECT   11   10   31   32   33                                       
CONECT   12    1   13   34   35                                       
CONECT   13   12   14   36   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20                                                      
CONECT   22   20   23   23   44                                       
CONECT   23   17   22   22   45                                       
CONECT   24    1    5                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
