COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       6.951  -3.152   0.005  1.00  0.00          Cl  
HETATM    2  C   UNL     1       5.839  -1.827   0.158  1.00  0.00           C  
HETATM    3  C   UNL     1       6.314  -0.529   0.209  1.00  0.00           C  
HETATM    4  C   UNL     1       5.429   0.526   0.331  1.00  0.00           C  
HETATM    5  C   UNL     1       4.479  -2.069   0.222  1.00  0.00           C  
HETATM    6  C   UNL     1       3.595  -1.014   0.344  1.00  0.00           C  
HETATM    7  C   UNL     1       4.070   0.283   0.401  1.00  0.00           C  
HETATM    8  C   UNL     1       3.105   1.433   0.534  1.00  0.00           C  
HETATM    9  N   UNL     1       2.705   1.893  -0.803  1.00  0.00           N  
HETATM   10  C   UNL     1       1.957   3.155  -0.724  1.00  0.00           C  
HETATM   11  C   UNL     1       0.669   2.936   0.072  1.00  0.00           C  
HETATM   12  C   UNL     1       1.932   0.861  -1.505  1.00  0.00           C  
HETATM   13  C   UNL     1       0.642   0.574  -0.733  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.177   1.863  -0.619  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.438   1.596   0.204  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.293   2.837   0.230  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.125   3.057   1.260  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.228   3.635  -0.675  1.00  0.00           O  
HETATM   19  N   UNL     1      -1.060   1.233   1.576  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.227   0.447  -0.428  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.488   0.181   0.395  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.277  -0.968  -0.237  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.538  -1.234   0.586  1.00  0.00           C  
HETATM   24  B   UNL     1      -6.361  -2.433  -0.074  1.00  0.00           B1-
HETATM   25  O   UNL     1      -7.489  -2.672   0.662  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.714  -2.095  -1.350  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.587  -3.559  -0.098  1.00  0.00           O  
HETATM   28  H   UNL     1       7.376  -0.339   0.155  1.00  0.00           H  
HETATM   29  H   UNL     1       5.799   1.539   0.371  1.00  0.00           H  
HETATM   30  H   UNL     1       4.108  -3.082   0.177  1.00  0.00           H  
HETATM   31  H   UNL     1       2.532  -1.203   0.394  1.00  0.00           H  
HETATM   32  H   UNL     1       2.223   1.106   1.084  1.00  0.00           H  
HETATM   33  H   UNL     1       3.586   2.251   1.070  1.00  0.00           H  
HETATM   34  H   UNL     1       2.568   3.908  -0.226  1.00  0.00           H  
HETATM   35  H   UNL     1       1.710   3.494  -1.729  1.00  0.00           H  
HETATM   36  H   UNL     1       0.915   2.610   1.082  1.00  0.00           H  
HETATM   37  H   UNL     1       0.107   3.869   0.118  1.00  0.00           H  
HETATM   38  H   UNL     1       1.685   1.211  -2.507  1.00  0.00           H  
HETATM   39  H   UNL     1       2.524  -0.051  -1.575  1.00  0.00           H  
HETATM   40  H   UNL     1       0.061  -0.181  -1.263  1.00  0.00           H  
HETATM   41  H   UNL     1       0.889   0.210   0.264  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.457   2.205  -1.616  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.653   3.867   1.232  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.876   1.115   2.157  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.486   0.403   1.585  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.508   0.717  -1.446  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.609  -0.450  -0.447  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.207  -0.089   1.413  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.106   1.079   0.414  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.558  -0.698  -1.255  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.659  -1.865  -0.256  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.258  -1.504   1.605  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.156  -0.337   0.605  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.087  -1.914   0.722  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.218  -2.779  -1.813  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.768  -3.463  -0.603  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    5    1                                       
CONECT    3    4    2    2   28                                       
CONECT    4    7    7    3   29                                       
CONECT    5    6    6    2   30                                       
CONECT    6    7    5    5   31                                       
CONECT    7    8    4    4    6                                       
CONECT    8    9    7   32   33                                       
CONECT    9   12   10    8                                            
CONECT   10   11    9   34   35                                       
CONECT   11   14   10   36   37                                       
CONECT   12   13    9   38   39                                       
CONECT   13   14   12   40   41                                       
CONECT   14   15   13   11   42                                       
CONECT   15   20   19   16   14                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16   43                                                 
CONECT   18   16   16                                                 
CONECT   19   15   44   45                                            
CONECT   20   21   15   46   47                                       
CONECT   21   22   20   48   49                                       
CONECT   22   23   21   50   51                                       
CONECT   23   24   22   52   53                                       
CONECT   24   25   26   27   23                                       
CONECT   25   24   54                                                 
CONECT   26   24   55                                                 
CONECT   27   24   56                                                 
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
