COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.766  -0.399   5.729  1.00  0.00           C  
HETATM    2  O   UNL     1       1.966  -0.832   4.608  1.00  0.00           O  
HETATM    3  N   UNL     1       2.774  -0.276   6.625  1.00  0.00           N  
HETATM    4  C   UNL     1       2.528   0.203   7.871  1.00  0.00           C  
HETATM    5  C   UNL     1       3.681   0.314   8.835  1.00  0.00           C  
HETATM    6  N   UNL     1       1.350   0.576   8.272  1.00  0.00           N  
HETATM    7  C   UNL     1       0.270   0.506   7.466  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.001   0.913   7.908  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.084   0.843   7.100  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.985   0.359   5.779  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.111   0.288   4.945  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.983  -0.184   3.673  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.748  -0.599   3.186  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.632  -0.543   3.969  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.728  -0.063   5.279  1.00  0.00           C  
HETATM   16  C   UNL     1       0.431   0.015   6.157  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.641  -1.117   1.775  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.354  -0.004   0.866  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.210  -0.238  -0.496  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.943   0.820  -1.360  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.797   0.586  -2.705  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.926  -0.709  -3.216  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.199  -1.768  -2.345  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.340  -1.531  -0.997  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.508   1.482  -3.883  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.727  -0.651  -4.674  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.774  -1.611  -5.419  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.485   0.611  -5.064  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.240   1.047  -6.441  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.434   0.708  -7.295  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.709   1.396  -8.250  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.193  -0.357  -6.996  1.00  0.00           O  
HETATM   33  C   UNL     1       0.997   0.333  -6.988  1.00  0.00           C  
HETATM   34  C   UNL     1       2.209   0.677  -6.121  1.00  0.00           C  
HETATM   35  C   UNL     1       3.428  -0.025  -6.661  1.00  0.00           C  
HETATM   36  O   UNL     1       3.337  -0.728  -7.639  1.00  0.00           O  
HETATM   37  O   UNL     1       4.616   0.130  -6.055  1.00  0.00           O  
HETATM   38  H   UNL     1       3.674  -0.540   6.379  1.00  0.00           H  
HETATM   39  H   UNL     1       3.324   0.717   9.783  1.00  0.00           H  
HETATM   40  H   UNL     1       4.113  -0.672   9.000  1.00  0.00           H  
HETATM   41  H   UNL     1       4.439   0.978   8.420  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.115   1.289   8.914  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.045   1.164   7.474  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.077   0.606   5.310  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.852  -0.237   3.035  1.00  0.00           H  
HETATM   46  H   UNL     1       0.320  -0.868   3.579  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.837  -1.850   1.717  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.582  -1.587   1.488  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.264   0.895   1.216  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.842   1.823  -0.972  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.300  -2.772  -2.730  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.551  -2.350  -0.326  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.293   2.232  -3.986  1.00  0.00           H  
HETATM   54  H   UNL     1       0.459   1.967  -3.757  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.075   2.124  -6.457  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.959  -0.575  -7.544  1.00  0.00           H  
HETATM   57  H   UNL     1       0.832  -0.743  -6.972  1.00  0.00           H  
HETATM   58  H   UNL     1       1.179   0.657  -8.013  1.00  0.00           H  
HETATM   59  H   UNL     1       2.374   1.755  -6.138  1.00  0.00           H  
HETATM   60  H   UNL     1       2.027   0.353  -5.097  1.00  0.00           H  
HETATM   61  H   UNL     1       5.398  -0.320  -6.401  1.00  0.00           H  
CONECT    1    2    2    3   16                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   38                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   39   40   41                                       
CONECT    6    4    4    7                                            
CONECT    7    6    8    8   16                                       
CONECT    8    7    7    9   42                                       
CONECT    9    8   10   10   43                                       
CONECT   10    9    9   11   15                                       
CONECT   11   10   12   12   44                                       
CONECT   12   11   11   13   45                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   15   46                                       
CONECT   15   10   14   16   16                                       
CONECT   16    1    7   15   15                                       
CONECT   17   13   18   47   48                                       
CONECT   18   17   19   49                                            
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   50                                       
CONECT   21   20   22   22   25                                       
CONECT   22   21   21   23   26                                       
CONECT   23   22   24   24   51                                       
CONECT   24   19   23   23   52                                       
CONECT   25   21   28   53   54                                       
CONECT   26   22   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   25   26   29                                            
CONECT   29   28   30   33   55                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   56                                                 
CONECT   33   29   34   57   58                                       
CONECT   34   33   35   59   60                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   61                                                 
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   29                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   37                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
