COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.108  -1.253  -1.678  1.00  0.00           O  
HETATM    2  C   UNL     1       2.649  -1.652  -0.665  1.00  0.00           C  
HETATM    3  C   UNL     1       3.653  -2.735  -0.742  1.00  0.00           C  
HETATM    4  C   UNL     1       4.272  -3.200   0.420  1.00  0.00           C  
HETATM    5  C   UNL     1       5.208  -4.211   0.342  1.00  0.00           C  
HETATM    6  C   UNL     1       5.532  -4.764  -0.885  1.00  0.00           C  
HETATM    7  C   UNL     1       4.922  -4.308  -2.039  1.00  0.00           C  
HETATM    8  C   UNL     1       3.980  -3.302  -1.974  1.00  0.00           C  
HETATM    9  N   UNL     1       2.340  -1.103   0.526  1.00  0.00           N  
HETATM   10  C   UNL     1       1.350  -0.025   0.601  1.00  0.00           C  
HETATM   11  C   UNL     1       1.823   1.161  -0.241  1.00  0.00           C  
HETATM   12  C   UNL     1       3.081   1.733   0.359  1.00  0.00           C  
HETATM   13  C   UNL     1       4.316   1.255  -0.038  1.00  0.00           C  
HETATM   14  C   UNL     1       5.470   1.780   0.513  1.00  0.00           C  
HETATM   15  C   UNL     1       5.390   2.782   1.462  1.00  0.00           C  
HETATM   16  C   UNL     1       6.648   3.349   2.068  1.00  0.00           C  
HETATM   17  N   UNL     1       7.007   2.575   3.264  1.00  0.00           N  
HETATM   18  C   UNL     1       4.155   3.260   1.860  1.00  0.00           C  
HETATM   19  C   UNL     1       3.001   2.739   1.304  1.00  0.00           C  
HETATM   20  C   UNL     1       0.028  -0.520   0.073  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.011  -1.497  -0.645  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.111   0.122   0.399  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.396  -0.359  -0.113  1.00  0.00           C  
HETATM   24  B   UNL     1      -2.891   0.592  -1.261  1.00  0.00           B  
HETATM   25  O   UNL     1      -2.114   0.785  -2.441  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.134   1.285  -1.156  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.425  -0.370   1.019  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.768  -0.872   0.483  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.797  -0.883   1.615  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.082  -1.364   1.102  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.165  -1.461   1.943  1.00  0.00           C  
HETATM   32  N   UNL     1      -8.042  -1.106   3.266  1.00  0.00           N  
HETATM   33  N   UNL     1      -9.308  -1.889   1.487  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.014   2.681  -1.456  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.946   2.169  -2.772  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.325   2.842  -2.815  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.171   4.232  -3.109  1.00  0.00           O  
HETATM   38  H   UNL     1       4.021  -2.768   1.377  1.00  0.00           H  
HETATM   39  H   UNL     1       5.688  -4.571   1.239  1.00  0.00           H  
HETATM   40  H   UNL     1       6.266  -5.555  -0.940  1.00  0.00           H  
HETATM   41  H   UNL     1       5.179  -4.744  -2.993  1.00  0.00           H  
HETATM   42  H   UNL     1       3.501  -2.950  -2.876  1.00  0.00           H  
HETATM   43  H   UNL     1       2.772  -1.421   1.334  1.00  0.00           H  
HETATM   44  H   UNL     1       1.232   0.289   1.638  1.00  0.00           H  
HETATM   45  H   UNL     1       2.026   0.827  -1.259  1.00  0.00           H  
HETATM   46  H   UNL     1       1.048   1.927  -0.258  1.00  0.00           H  
HETATM   47  H   UNL     1       4.379   0.472  -0.779  1.00  0.00           H  
HETATM   48  H   UNL     1       6.435   1.406   0.203  1.00  0.00           H  
HETATM   49  H   UNL     1       7.458   3.292   1.341  1.00  0.00           H  
HETATM   50  H   UNL     1       6.480   4.390   2.345  1.00  0.00           H  
HETATM   51  H   UNL     1       7.105   1.595   3.045  1.00  0.00           H  
HETATM   52  H   UNL     1       7.848   2.936   3.688  1.00  0.00           H  
HETATM   53  H   UNL     1       4.092   4.042   2.601  1.00  0.00           H  
HETATM   54  H   UNL     1       2.036   3.113   1.614  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.080   0.903   0.974  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.276  -1.369  -0.505  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.082  -1.030   1.815  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.546   0.640   1.410  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.111  -0.212  -0.313  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.647  -1.882   0.091  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.453  -1.543   2.412  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.917   0.127   2.007  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.169  -1.614   0.169  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.191  -0.788   3.606  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.806  -1.175   3.859  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.073  -1.957   2.080  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.006   3.132  -1.495  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.419   3.170  -0.685  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.328   2.653  -2.016  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.465   2.256  -3.746  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.931   2.371  -3.588  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.740   4.409  -3.957  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    9                                       
CONECT    3    4    2    8    8                                       
CONECT    4    5    5    3   38                                       
CONECT    5    4    4    6   39                                       
CONECT    6    5    7    7   40                                       
CONECT    7    6    6    8   41                                       
CONECT    8    3    3    7   42                                       
CONECT    9    2   10   43                                            
CONECT   10    9   11   20   44                                       
CONECT   11   12   10   45   46                                       
CONECT   12   19   19   13   11                                       
CONECT   13   14   14   12   47                                       
CONECT   14   15   13   13   48                                       
CONECT   15   16   18   18   14                                       
CONECT   16   17   15   49   50                                       
CONECT   17   16   51   52                                            
CONECT   18   15   15   19   53                                       
CONECT   19   18   12   12   54                                       
CONECT   20   10   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   55                                            
CONECT   23   22   24   27   56                                       
CONECT   24   26   23   25                                            
CONECT   25   24   35                                                 
CONECT   26   34   24                                                 
CONECT   27   23   28   57   58                                       
CONECT   28   29   27   59   60                                       
CONECT   29   30   28   61   62                                       
CONECT   30   29   31   63                                            
CONECT   31   30   33   33   32                                       
CONECT   32   31   64   65                                            
CONECT   33   31   31   66                                            
CONECT   34   26   36   67   68                                       
CONECT   35   36   25   69   70                                       
CONECT   36   34   37   35   71                                       
CONECT   37   36   72                                                 
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
