COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.419   5.106  -0.690  1.00  0.00           C  
HETATM    2  C   UNL     1       0.243   3.969   0.091  1.00  0.00           C  
HETATM    3  C   UNL     1       1.070   3.107  -0.865  1.00  0.00           C  
HETATM    4  C   UNL     1       1.637   1.906  -0.106  1.00  0.00           C  
HETATM    5  N   UNL     1       2.528   1.148  -0.988  1.00  0.00           N  
HETATM    6  C   UNL     1       3.956   1.470  -1.040  1.00  0.00           C  
HETATM    7  C   UNL     1       4.705   0.640   0.005  1.00  0.00           C  
HETATM    8  C   UNL     1       6.196   0.977  -0.049  1.00  0.00           C  
HETATM    9  C   UNL     1       6.944   0.147   0.996  1.00  0.00           C  
HETATM   10  C   UNL     1       2.033   0.154  -1.753  1.00  0.00           C  
HETATM   11  O   UNL     1       2.785  -0.534  -2.417  1.00  0.00           O  
HETATM   12  C   UNL     1       0.579  -0.101  -1.783  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.349   0.582  -1.142  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.081  -1.120  -2.510  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.398  -0.967  -2.236  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.527  -1.811  -2.769  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.510   0.095  -1.395  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.713   0.582  -0.877  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.800   0.786  -1.714  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.988   1.268  -1.199  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.104   1.549   0.151  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.033   1.350   0.998  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.828   0.860   0.493  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.678   0.645   1.393  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.074   1.598   1.846  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.298  -0.608   1.714  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.914  -1.778   1.078  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.844  -2.768   0.693  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.206  -3.822  -0.135  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.273  -4.766  -0.514  1.00  0.00           C  
HETATM   31  C   UNL     1       1.030  -4.662  -0.065  1.00  0.00           C  
HETATM   32  C   UNL     1       1.391  -3.612   0.754  1.00  0.00           C  
HETATM   33  C   UNL     1       0.456  -2.657   1.133  1.00  0.00           C  
HETATM   34  C   UNL     1       0.929  -1.525   2.006  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.244  -0.857   2.711  1.00  0.00           C  
HETATM   36  C   UNL     1       0.212   0.469   3.323  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.921   1.110   4.004  1.00  0.00           N  
HETATM   38  H   UNL     1       0.349   5.769  -1.087  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.001   4.690  -1.513  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.078   5.667  -0.027  1.00  0.00           H  
HETATM   41  H   UNL     1       0.894   4.387   0.859  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.526   3.356   0.562  1.00  0.00           H  
HETATM   43  H   UNL     1       0.435   2.756  -1.678  1.00  0.00           H  
HETATM   44  H   UNL     1       1.889   3.700  -1.272  1.00  0.00           H  
HETATM   45  H   UNL     1       2.197   2.255   0.762  1.00  0.00           H  
HETATM   46  H   UNL     1       0.820   1.264   0.223  1.00  0.00           H  
HETATM   47  H   UNL     1       4.345   1.241  -2.032  1.00  0.00           H  
HETATM   48  H   UNL     1       4.097   2.531  -0.831  1.00  0.00           H  
HETATM   49  H   UNL     1       4.316   0.870   0.997  1.00  0.00           H  
HETATM   50  H   UNL     1       4.564  -0.420  -0.204  1.00  0.00           H  
HETATM   51  H   UNL     1       6.585   0.748  -1.041  1.00  0.00           H  
HETATM   52  H   UNL     1       6.337   2.038   0.160  1.00  0.00           H  
HETATM   53  H   UNL     1       6.804  -0.913   0.787  1.00  0.00           H  
HETATM   54  H   UNL     1       8.007   0.387   0.957  1.00  0.00           H  
HETATM   55  H   UNL     1       6.556   0.377   1.988  1.00  0.00           H  
HETATM   56  H   UNL     1       0.371  -1.863  -3.150  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.770  -2.590  -2.047  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.402  -1.183  -2.935  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.225  -2.269  -3.711  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.717   0.570  -2.769  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.832   1.426  -1.855  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.037   1.925   0.544  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.128   1.571   2.051  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.608  -2.246   1.776  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.455  -1.463   0.186  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.224  -3.905  -0.484  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.561  -5.584  -1.159  1.00  0.00           H  
HETATM   68  H   UNL     1       1.763  -5.400  -0.354  1.00  0.00           H  
HETATM   69  H   UNL     1       2.409  -3.532   1.105  1.00  0.00           H  
HETATM   70  H   UNL     1       1.623  -1.913   2.751  1.00  0.00           H  
HETATM   71  H   UNL     1       1.441  -0.786   1.389  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.624  -1.514   3.493  1.00  0.00           H  
HETATM   73  H   UNL     1       1.009   0.282   4.043  1.00  0.00           H  
HETATM   74  H   UNL     1       0.581   1.126   2.535  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.348   0.479   4.667  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.636   1.967   4.453  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3   41   42                                       
CONECT    3    2    4   43   44                                       
CONECT    4    3    5   45   46                                       
CONECT    5    4   10    6                                            
CONECT    6    5    7   47   48                                       
CONECT    7    6    8   49   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   53   54   55                                       
CONECT   10   12    5   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   13   14   10                                       
CONECT   13   17   12   12                                            
CONECT   14   15   15   12   56                                       
CONECT   15   17   16   14   14                                       
CONECT   16   15   57   58   59                                       
CONECT   17   18   13   15                                            
CONECT   18   19   19   23   17                                       
CONECT   19   20   18   18   60                                       
CONECT   20   21   21   19   61                                       
CONECT   21   20   20   22   62                                       
CONECT   22   21   23   23   63                                       
CONECT   23   22   22   18   24                                       
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   35                                            
CONECT   27   28   26   64   65                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   66                                       
CONECT   30   29   31   31   67                                       
CONECT   31   30   30   32   68                                       
CONECT   32   31   33   33   69                                       
CONECT   33   28   32   32   34                                       
CONECT   34   35   33   70   71                                       
CONECT   35   26   36   34   72                                       
CONECT   36   37   35   73   74                                       
CONECT   37   36   75   76                                            
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
