COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.469  -2.107  -0.898  1.00  0.00           C  
HETATM    2  C   UNL     1       4.380   1.024  -0.465  1.00  0.00           C  
HETATM    3  C   UNL     1       3.035   1.069   0.271  1.00  0.00           C  
HETATM    4  C   UNL     1       2.140  -0.153   0.195  1.00  0.00           C  
HETATM    5  C   UNL     1       2.234  -1.230  -0.863  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.080  -0.594  -2.182  1.00  0.00           C  
HETATM    7  C   UNL     1       0.710   0.168   0.654  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.340   0.858  -0.279  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.520   0.865  -0.698  1.00  0.00           C  
HETATM   10  C   UNL     1       3.076   1.687   1.656  1.00  0.00           C  
HETATM   11  C   UNL     1       1.669   2.075   2.102  1.00  0.00           C  
HETATM   12  C   UNL     1       0.609   1.020   1.906  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.293  -2.694   1.743  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.219   0.064  -0.802  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.977   0.681  -0.527  1.00  0.00           C  
HETATM   16  C   UNL     1       0.394   0.192   3.172  1.00  0.00           C  
HETATM   17  C   UNL     1       2.624  -0.956   1.389  1.00  0.00           C  
HETATM   18  C   UNL     1       5.308   2.154  -0.009  1.00  0.00           C  
HETATM   19  C   UNL     1       4.115   1.235  -1.968  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.578   1.900  -1.827  1.00  0.00           C  
HETATM   21  C   UNL     1       4.727  -1.350  -0.873  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.610  -1.243   0.138  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.708  -0.087  -0.821  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.004   0.929  -0.479  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.253  -0.960   0.302  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.372  -1.613   0.697  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.164   0.058  -0.572  1.00  0.00           O  
HETATM   28  O   UNL     1       5.054  -0.222  -0.288  1.00  0.00           O  
HETATM   29  O   UNL     1       5.642  -1.870  -1.514  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.921   1.857  -0.252  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.615  -1.866   0.435  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.041  -1.057   0.853  1.00  0.00           O  
HETATM   33  H   UNL     1       3.458  -2.851  -0.096  1.00  0.00           H  
HETATM   34  H   UNL     1       3.449  -2.697  -1.838  1.00  0.00           H  
HETATM   35  H   UNL     1       2.461   1.817  -0.319  1.00  0.00           H  
HETATM   36  H   UNL     1       2.105  -0.753  -1.843  1.00  0.00           H  
HETATM   37  H   UNL     1       1.357  -1.886  -0.733  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.063   0.177  -2.953  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.153  -1.166  -2.221  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.925  -1.261  -2.354  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.261   1.264   0.729  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.411   1.676  -0.996  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.231   0.234  -0.350  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.557   1.377   0.265  1.00  0.00           H  
HETATM   45  H   UNL     1       3.569   1.071   2.398  1.00  0.00           H  
HETATM   46  H   UNL     1       3.634   2.643   1.635  1.00  0.00           H  
HETATM   47  H   UNL     1       1.715   2.348   3.168  1.00  0.00           H  
HETATM   48  H   UNL     1       1.378   2.989   1.563  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.358   1.591   1.786  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.423  -2.254   2.731  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.078  -3.430   1.566  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.319  -3.182   1.688  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.025   0.825   3.954  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.295  -0.626   2.958  1.00  0.00           H  
HETATM   55  H   UNL     1       1.348  -0.215   3.506  1.00  0.00           H  
HETATM   56  H   UNL     1       2.492  -0.369   2.298  1.00  0.00           H  
HETATM   57  H   UNL     1       2.047  -1.878   1.464  1.00  0.00           H  
HETATM   58  H   UNL     1       3.679  -1.196   1.261  1.00  0.00           H  
HETATM   59  H   UNL     1       6.220   2.139  -0.606  1.00  0.00           H  
HETATM   60  H   UNL     1       4.805   3.112  -0.139  1.00  0.00           H  
HETATM   61  H   UNL     1       5.560   2.016   1.042  1.00  0.00           H  
HETATM   62  H   UNL     1       5.059   1.201  -2.512  1.00  0.00           H  
HETATM   63  H   UNL     1       3.455   0.449  -2.335  1.00  0.00           H  
HETATM   64  H   UNL     1       3.642   2.206  -2.121  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.544   1.390  -2.789  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.505   2.469  -1.750  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.728   2.577  -1.743  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.771  -0.468  -1.842  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.298   1.919  -0.132  1.00  0.00           H  
HETATM   70  H   UNL     1       0.658   1.011  -1.344  1.00  0.00           H  
CONECT    1    5   21   33   34                                       
CONECT    2   19    3   18   28                                       
CONECT    3   10    2    4   35                                       
CONECT    4    3    7    5   17                                       
CONECT    5    4    1   36   37                                       
CONECT    6   14   38   39   40                                       
CONECT    7   12   32    4   24                                       
CONECT    8   27   41   42   43                                       
CONECT    9   14   23   20   44                                       
CONECT   10   11    3   45   46                                       
CONECT   11   12   10   47   48                                       
CONECT   12   11   16    7   49                                       
CONECT   13   26   50   51   52                                       
CONECT   14   25   24    9    6                                       
CONECT   15   27   23   30   30                                       
CONECT   16   12   53   54   55                                       
CONECT   17    4   56   57   58                                       
CONECT   18    2   59   60   61                                       
CONECT   19    2   62   63   64                                       
CONECT   20    9   65   66   67                                       
CONECT   21    1   28   29   29                                       
CONECT   22   26   31   31   23                                       
CONECT   23   22    9   15   68                                       
CONECT   24    7   14   69   70                                       
CONECT   25   32   26   26   14                                       
CONECT   26   13   25   25   22                                       
CONECT   27    8   15                                                 
CONECT   28    2   21                                                 
CONECT   29   21   21                                                 
CONECT   30   15   15                                                 
CONECT   31   22   22                                                 
CONECT   32    7   25                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
