COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       3.096   2.064  -8.167  1.00  0.00           O  
HETATM    2  C   UNL     1       3.566   1.030  -9.035  1.00  0.00           C  
HETATM    3  C   UNL     1       2.675  -0.204  -8.886  1.00  0.00           C  
HETATM    4  O   UNL     1       1.331   0.134  -9.234  1.00  0.00           O  
HETATM    5  C   UNL     1       0.552  -1.053  -9.076  1.00  0.00           C  
HETATM    6  O   UNL     1       0.045  -1.116  -7.741  1.00  0.00           O  
HETATM    7  O   UNL     1      -3.156  -0.163  -4.812  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.949   0.024  -5.989  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.811  -0.485  -6.363  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.220  -0.453  -7.748  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.237  -1.068  -5.210  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.148  -0.832  -4.235  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.047  -1.240  -2.788  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.361  -0.129  -1.991  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.258  -0.544  -0.522  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.572   0.567   0.274  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.469   0.152   1.743  1.00  0.00           C  
HETATM   18  O   UNL     1       0.171   1.190   2.487  1.00  0.00           O  
HETATM   19  C   UNL     1       0.233   0.768   3.776  1.00  0.00           C  
HETATM   20  C   UNL     1       1.336   0.046   4.217  1.00  0.00           C  
HETATM   21  C   UNL     1       1.403  -0.383   5.526  1.00  0.00           C  
HETATM   22  C   UNL     1       0.360  -0.092   6.408  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.745   0.632   5.962  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.803   1.063   4.653  1.00  0.00           C  
HETATM   25 CL   UNL     1      -2.178   1.965   4.097  1.00  0.00          Cl  
HETATM   26 CL   UNL     1       2.631  -0.314   3.119  1.00  0.00          Cl  
HETATM   27  C   UNL     1       0.428  -0.551   7.812  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.505  -0.314   8.680  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.103  -0.907   9.971  1.00  0.00           C  
HETATM   30  C   UNL     1       1.404  -1.176   9.746  1.00  0.00           C  
HETATM   31  O   UNL     1       1.465  -1.260   8.306  1.00  0.00           O  
HETATM   32  H   UNL     1       3.684   2.822  -8.292  1.00  0.00           H  
HETATM   33  H   UNL     1       3.535   1.379 -10.067  1.00  0.00           H  
HETATM   34  H   UNL     1       4.592   0.772  -8.770  1.00  0.00           H  
HETATM   35  H   UNL     1       3.034  -0.992  -9.548  1.00  0.00           H  
HETATM   36  H   UNL     1       2.707  -0.553  -7.854  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.279  -1.038  -9.780  1.00  0.00           H  
HETATM   38  H   UNL     1       1.177  -1.925  -9.269  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.086   0.581  -8.063  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.891  -0.959  -8.442  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.292  -1.584  -5.126  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.047  -1.410  -2.388  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.464  -2.158  -2.709  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.361   0.039  -2.392  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.944   0.787  -2.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.258  -0.713  -0.122  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.675  -1.461  -0.443  1.00  0.00           H  
HETATM   48  H   UNL     1       0.427   0.736  -0.126  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.155   1.484   0.195  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.469  -0.016   2.143  1.00  0.00           H  
HETATM   51  H   UNL     1       0.113  -0.764   1.822  1.00  0.00           H  
HETATM   52  H   UNL     1       2.260  -0.943   5.868  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.553   0.858   6.642  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.255  -0.201  10.787  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.641  -1.836  10.157  1.00  0.00           H  
HETATM   56  H   UNL     1       2.009  -0.350  10.120  1.00  0.00           H  
HETATM   57  H   UNL     1       1.706  -2.118  10.204  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2    1    3   33   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   37   38                                       
CONECT    6    5   10                                                 
CONECT    7    8   12                                                 
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   11                                       
CONECT   10    6    9   39   40                                       
CONECT   11    9   12   12   41                                       
CONECT   12    7   11   11   13                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   16   46   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   26                                       
CONECT   21   20   22   22   52                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   24   53                                       
CONECT   24   19   23   23   25                                       
CONECT   25   24                                                      
CONECT   26   20                                                      
CONECT   27   22   28   28   31                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   54   55                                       
CONECT   30   29   31   56   57                                       
CONECT   31   27   30                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
