COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.779   0.613   0.951  1.00  0.00           C  
HETATM    2  CD2 UNL     1       3.138   4.633  -0.541  1.00  0.00           C  
HETATM    3  CG  UNL     1       3.069   3.108  -0.650  1.00  0.00           C  
HETATM    4  CB  UNL     1       1.739   2.615  -0.077  1.00  0.00           C  
HETATM    5  CA  UNL     1       1.738   1.086  -0.031  1.00  0.00           C  
HETATM    6  C   UNL     1       5.461   1.076   2.530  1.00  0.00           C  
HETATM    7  CA  UNL     1       5.077   0.031   1.513  1.00  0.00           C  
HETATM    8  C   UNL     1       6.317  -0.391   0.722  1.00  0.00           C  
HETATM    9  C   UNL     1       5.946  -1.515  -0.246  1.00  0.00           C  
HETATM   10  C   UNL     1       7.157  -1.949  -1.042  1.00  0.00           C  
HETATM   11  C   UNL     1       6.107  -3.905  -0.360  1.00  0.00           C  
HETATM   12  C   UNL     1       5.529  -2.784   0.533  1.00  0.00           C  
HETATM   13  CD1 UNL     1       3.176   2.696  -2.119  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.541   0.385  -0.531  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.766  -0.182  -1.184  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.107  -0.555  -0.551  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.308  -0.720  -1.485  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.663  -1.950  -0.843  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.657  -0.292  -0.967  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.181  -0.883   0.166  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.420  -0.489   0.641  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.132   0.496  -0.018  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.606   1.087  -1.152  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.366   0.697  -1.623  1.00  0.00           C  
HETATM   25  N   UNL     1       7.225  -3.291  -1.085  1.00  0.00           N  
HETATM   26  N   UNL     1       4.078   0.586   0.596  1.00  0.00           N  
HETATM   27  N   UNL     1       0.418   0.610   0.389  1.00  0.00           N  
HETATM   28  O   UNL     1       4.952   2.171   2.492  1.00  0.00           O  
HETATM   29  O   UNL     1       7.950  -1.196  -1.566  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.783   0.046  -0.139  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.284   0.489  -1.714  1.00  0.00           O  
HETATM   32  O   UNL     1       2.447   0.261   2.063  1.00  0.00           O  
HETATM   33 CL   UNL     1      -9.080  -1.232   2.065  1.00  0.00          Cl  
HETATM   34 HD21 UNL     1       3.062   4.926   0.506  1.00  0.00           H  
HETATM   35 HD22 UNL     1       4.086   4.984  -0.948  1.00  0.00           H  
HETATM   36 HD23 UNL     1       2.315   5.074  -1.103  1.00  0.00           H  
HETATM   37  HG  UNL     1       3.892   2.666  -0.088  1.00  0.00           H  
HETATM   38  HB1 UNL     1       1.608   3.009   0.930  1.00  0.00           H  
HETATM   39  HB2 UNL     1       0.921   2.960  -0.711  1.00  0.00           H  
HETATM   40  HA  UNL     1       1.969   0.692  -1.021  1.00  0.00           H  
HETATM   41  H   UNL     1       6.190   0.845   3.292  1.00  0.00           H  
HETATM   42  HA  UNL     1       4.659  -0.836   2.024  1.00  0.00           H  
HETATM   43  H   UNL     1       6.697   0.463   0.160  1.00  0.00           H  
HETATM   44  H   UNL     1       7.085  -0.743   1.411  1.00  0.00           H  
HETATM   45  H   UNL     1       5.144  -1.196  -0.912  1.00  0.00           H  
HETATM   46  H   UNL     1       6.465  -4.731   0.256  1.00  0.00           H  
HETATM   47  H   UNL     1       5.350  -4.258  -1.060  1.00  0.00           H  
HETATM   48  H   UNL     1       5.984  -2.801   1.523  1.00  0.00           H  
HETATM   49  H   UNL     1       4.444  -2.861   0.601  1.00  0.00           H  
HETATM   50 HD11 UNL     1       4.077   3.129  -2.553  1.00  0.00           H  
HETATM   51 HD12 UNL     1       3.225   1.610  -2.190  1.00  0.00           H  
HETATM   52 HD13 UNL     1       2.302   3.056  -2.662  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.429  -0.994  -1.828  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.883   0.726  -1.776  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.293  -0.135   0.438  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.142  -0.563  -2.551  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.072  -2.602  -1.486  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.214  -2.449  -0.046  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.625  -1.653   0.680  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.099   0.804   0.352  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.162   1.856  -1.667  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.954   1.162  -2.507  1.00  0.00           H  
HETATM   63  H   UNL     1       7.924  -3.789  -1.537  1.00  0.00           H  
HETATM   64  H   UNL     1       4.352   0.934  -0.267  1.00  0.00           H  
HETATM   65  H   UNL     1       0.234   0.457   1.329  1.00  0.00           H  
CONECT    1   26    5   32   32                                       
CONECT    2    3   34   35   36                                       
CONECT    3   13    4    2   37                                       
CONECT    4    5    3   38   39                                       
CONECT    5    1   27    4   40                                       
CONECT    6   28   28    7   41                                       
CONECT    7    8    6   26   42                                       
CONECT    8    9    7   43   44                                       
CONECT    9   10    8   12   45                                       
CONECT   10   29   29   25    9                                       
CONECT   11   25   12   46   47                                       
CONECT   12    9   11   48   49                                       
CONECT   13    3   50   51   52                                       
CONECT   14   31   31   27   30                                       
CONECT   15   30   16   53   54                                       
CONECT   16   18   15   17   55                                       
CONECT   17   18   16   19   56                                       
CONECT   18   16   17   57   58                                       
CONECT   19   17   20   20   24                                       
CONECT   20   19   19   21   59                                       
CONECT   21   20   33   22   22                                       
CONECT   22   21   21   23   60                                       
CONECT   23   24   24   22   61                                       
CONECT   24   19   23   23   62                                       
CONECT   25   10   11   63                                            
CONECT   26    7    1   64                                            
CONECT   27    5   14   65                                            
CONECT   28    6    6                                                 
CONECT   29   10   10                                                 
CONECT   30   14   15                                                 
CONECT   31   14   14                                                 
CONECT   32    1    1                                                 
CONECT   33   21                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
