COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.609   0.529   0.134  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.140   1.781  -0.305  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.823   1.967  -0.596  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.912   0.897  -0.458  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.378  -0.368  -0.015  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.737  -0.537   0.284  1.00  0.00           C  
HETATM    7  O   UNL     1      -9.386   3.182  -1.019  1.00  0.00           O  
HETATM    8  O   UNL     1     -13.894   1.386   0.300  1.00  0.00           O  
HETATM    9  O   UNL     1     -13.452  -0.725   0.828  1.00  0.00           O  
HETATM   10  O   UNL     1       7.995  -3.871  -0.641  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.469  -1.433   0.121  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.042   0.353   0.444  1.00  0.00           C  
HETATM   13  C   UNL     1     -15.288   1.140   0.623  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.402  -0.508  -0.196  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.093  -1.166   0.220  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.710  -0.910  -0.383  1.00  0.00           C  
HETATM   17  C   UNL     1       0.345  -1.676   0.417  1.00  0.00           C  
HETATM   18  C   UNL     1       2.781  -2.019   0.395  1.00  0.00           C  
HETATM   19  C   UNL     1       5.208  -2.415   0.446  1.00  0.00           C  
HETATM   20  C   UNL     1       6.452  -1.998  -0.341  1.00  0.00           C  
HETATM   21  C   UNL     1       7.698  -2.745   0.187  1.00  0.00           C  
HETATM   22  C   UNL     1       8.829  -1.696   0.101  1.00  0.00           C  
HETATM   23  C   UNL     1       8.133  -0.440  -0.469  1.00  0.00           C  
HETATM   24  C   UNL     1       8.163   1.429   1.226  1.00  0.00           C  
HETATM   25  C   UNL     1       9.928   2.539   0.630  1.00  0.00           C  
HETATM   26  C   UNL     1      11.010   3.418   0.448  1.00  0.00           C  
HETATM   27  C   UNL     1      11.698   2.142  -1.349  1.00  0.00           C  
HETATM   28  C   UNL     1       9.803   1.449  -0.248  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.552   1.065  -0.752  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.688   0.001  -0.607  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.155  -1.244  -0.171  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.331   0.167  -0.901  1.00  0.00           N  
HETATM   33  N   UNL     1      10.703   1.291  -1.213  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.103  -0.432  -0.547  1.00  0.00           N  
HETATM   35  N   UNL     1       1.669  -1.431  -0.160  1.00  0.00           N  
HETATM   36  N   UNL     1       4.023  -1.789  -0.146  1.00  0.00           N  
HETATM   37  N   UNL     1       2.657  -2.794   1.436  1.00  0.00           N  
HETATM   38  N   UNL     1       8.679   0.771   0.150  1.00  0.00           N  
HETATM   39  N   UNL     1       8.898   2.466   1.507  1.00  0.00           N  
HETATM   40  N   UNL     1      11.188   4.505   1.285  1.00  0.00           N  
HETATM   41  N   UNL     1      11.858   3.180  -0.547  1.00  0.00           N  
HETATM   42  O   UNL     1      -4.735  -1.186   0.757  1.00  0.00           O  
HETATM   43  O   UNL     1       9.859  -2.142  -0.783  1.00  0.00           O  
HETATM   44  O   UNL     1       6.740  -0.600  -0.123  1.00  0.00           O  
HETATM   45  H   UNL     1     -11.832   2.603  -0.412  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.103  -1.494   0.626  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.411   3.296  -1.979  1.00  0.00           H  
HETATM   48  H   UNL     1       8.768  -4.376  -0.355  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.814  -2.399   0.457  1.00  0.00           H  
HETATM   50  H   UNL     1     -15.372   0.834   1.666  1.00  0.00           H  
HETATM   51  H   UNL     1     -15.865   2.051   0.465  1.00  0.00           H  
HETATM   52  H   UNL     1     -15.676   0.349  -0.019  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.313  -2.233   0.183  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.106  -0.827   1.255  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.697  -1.248  -1.419  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.489   0.157  -0.347  1.00  0.00           H  
HETATM   57  H   UNL     1       0.332  -1.337   1.453  1.00  0.00           H  
HETATM   58  H   UNL     1       0.125  -2.743   0.381  1.00  0.00           H  
HETATM   59  H   UNL     1       5.102  -3.499   0.410  1.00  0.00           H  
HETATM   60  H   UNL     1       5.309  -2.094   1.482  1.00  0.00           H  
HETATM   61  H   UNL     1       6.313  -2.198  -1.404  1.00  0.00           H  
HETATM   62  H   UNL     1       7.544  -3.060   1.219  1.00  0.00           H  
HETATM   63  H   UNL     1       9.237  -1.493   1.090  1.00  0.00           H  
HETATM   64  H   UNL     1       8.252  -0.398  -1.552  1.00  0.00           H  
HETATM   65  H   UNL     1       7.274   1.135   1.764  1.00  0.00           H  
HETATM   66  H   UNL     1      12.411   1.985  -2.144  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.184   2.023  -1.090  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.462  -2.066  -0.064  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.059   0.768  -1.612  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.837   0.109  -1.307  1.00  0.00           H  
HETATM   71  H   UNL     1       1.762  -0.854  -0.934  1.00  0.00           H  
HETATM   72  H   UNL     1       4.116  -1.212  -0.921  1.00  0.00           H  
HETATM   73  H   UNL     1       1.780  -2.956   1.818  1.00  0.00           H  
HETATM   74  H   UNL     1      10.562   4.668   2.007  1.00  0.00           H  
HETATM   75  H   UNL     1      11.938   5.105   1.148  1.00  0.00           H  
HETATM   76  H   UNL     1      10.289  -2.962  -0.504  1.00  0.00           H  
CONECT    1    2   12    6    6                                       
CONECT    2    3    3    1   45                                       
CONECT    3    7    4    2    2                                       
CONECT    4   29   29    3    5                                       
CONECT    5    4    6   11   11                                       
CONECT    6    5    1    1   46                                       
CONECT    7    3   47                                                 
CONECT    8   12   13                                                 
CONECT    9   12   12                                                 
CONECT   10   21   48                                                 
CONECT   11    5    5   31   49                                       
CONECT   12    1    9    9    8                                       
CONECT   13    8   50   51   52                                       
CONECT   14   34   42   42   32                                       
CONECT   15   34   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   35   57   58                                       
CONECT   18   37   37   36   35                                       
CONECT   19   36   20   59   60                                       
CONECT   20   44   19   21   61                                       
CONECT   21   20   22   10   62                                       
CONECT   22   23   21   43   63                                       
CONECT   23   38   44   22   64                                       
CONECT   24   39   39   38   65                                       
CONECT   25   26   39   28   28                                       
CONECT   26   40   41   41   25                                       
CONECT   27   41   33   33   66                                       
CONECT   28   25   25   33   38                                       
CONECT   29    4    4   30   67                                       
CONECT   30   32   29   31   31                                       
CONECT   31   30   30   11   68                                       
CONECT   32   14   30   69                                            
CONECT   33   27   27   28                                            
CONECT   34   15   14   70                                            
CONECT   35   18   17   71                                            
CONECT   36   19   18   72                                            
CONECT   37   18   18   73                                            
CONECT   38   28   24   23                                            
CONECT   39   25   24   24                                            
CONECT   40   26   74   75                                            
CONECT   41   26   26   27                                            
CONECT   42   14   14                                                 
CONECT   43   22   76                                                 
CONECT   44   23   20                                                 
CONECT   45    2                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   43                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
