COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.766   2.202  -0.168  1.00  0.00           C  
HETATM    2  O   UNL     1       6.965   2.353   1.018  1.00  0.00           O  
HETATM    3  C   UNL     1       7.909   2.308  -1.144  1.00  0.00           C  
HETATM    4  N   UNL     1       5.522   1.934  -0.614  1.00  0.00           N  
HETATM    5  C   UNL     1       4.412   1.825   0.335  1.00  0.00           C  
HETATM    6  C   UNL     1       3.329   0.959  -0.256  1.00  0.00           C  
HETATM    7  O   UNL     1       3.471   0.480  -1.361  1.00  0.00           O  
HETATM    8  C   UNL     1       3.849   3.218   0.624  1.00  0.00           C  
HETATM    9  N   UNL     1       2.203   0.716   0.444  1.00  0.00           N  
HETATM   10  C   UNL     1       1.151  -0.126  -0.130  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.174   0.231   0.493  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.234   1.103   1.334  1.00  0.00           O  
HETATM   13  C   UNL     1       1.466  -1.597   0.149  1.00  0.00           C  
HETATM   14  C   UNL     1       2.747  -1.992  -0.587  1.00  0.00           C  
HETATM   15  C   UNL     1       3.062  -3.464  -0.309  1.00  0.00           C  
HETATM   16  C   UNL     1       4.344  -3.859  -1.045  1.00  0.00           C  
HETATM   17  N   UNL     1       4.647  -5.271  -0.777  1.00  0.00           N1+
HETATM   18  O   UNL     1      -3.191  -0.856   3.114  1.00  0.00           O  
HETATM   19  B   UNL     1      -2.994  -1.186   1.747  1.00  0.00           B  
HETATM   20  O   UNL     1      -3.171  -2.525   1.307  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.581  -0.072   0.721  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.293  -0.419   0.116  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.646   0.036  -0.372  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.991   0.398   0.261  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.056   0.506  -0.832  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.345   0.853  -0.227  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.458   1.005  -1.019  1.00  0.00           C  
HETATM   28  N   UNL     1      -9.604   1.314  -0.480  1.00  0.00           N  
HETATM   29  N   UNL     1      -8.363   0.831  -2.379  1.00  0.00           N  
HETATM   30  H   UNL     1       8.830   2.523  -0.603  1.00  0.00           H  
HETATM   31  H   UNL     1       8.016   1.367  -1.683  1.00  0.00           H  
HETATM   32  H   UNL     1       7.708   3.112  -1.853  1.00  0.00           H  
HETATM   33  H   UNL     1       5.363   1.813  -1.563  1.00  0.00           H  
HETATM   34  H   UNL     1       4.769   1.378   1.263  1.00  0.00           H  
HETATM   35  H   UNL     1       3.492   3.665  -0.303  1.00  0.00           H  
HETATM   36  H   UNL     1       3.023   3.137   1.331  1.00  0.00           H  
HETATM   37  H   UNL     1       4.632   3.844   1.052  1.00  0.00           H  
HETATM   38  H   UNL     1       2.089   1.099   1.328  1.00  0.00           H  
HETATM   39  H   UNL     1       1.102   0.038  -1.207  1.00  0.00           H  
HETATM   40  H   UNL     1       1.602  -1.742   1.220  1.00  0.00           H  
HETATM   41  H   UNL     1       0.640  -2.218  -0.200  1.00  0.00           H  
HETATM   42  H   UNL     1       2.611  -1.847  -1.659  1.00  0.00           H  
HETATM   43  H   UNL     1       3.573  -1.372  -0.239  1.00  0.00           H  
HETATM   44  H   UNL     1       3.199  -3.609   0.763  1.00  0.00           H  
HETATM   45  H   UNL     1       2.237  -4.084  -0.657  1.00  0.00           H  
HETATM   46  H   UNL     1       4.207  -3.713  -2.116  1.00  0.00           H  
HETATM   47  H   UNL     1       5.169  -3.238  -0.696  1.00  0.00           H  
HETATM   48  H   UNL     1       5.492  -5.532  -1.262  1.00  0.00           H  
HETATM   49  H   UNL     1       4.773  -5.406   0.215  1.00  0.00           H  
HETATM   50  H   UNL     1       3.882  -5.846  -1.100  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.048   0.078   3.317  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.425  -3.139   2.009  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.494   0.883   1.239  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.245  -1.116  -0.557  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.359   0.810  -1.084  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.734  -0.919  -0.890  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.278  -0.376   0.973  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.904   1.354   0.778  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.769   1.280  -1.544  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.144  -0.449  -1.350  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.412   0.975   0.733  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.389   1.421  -1.039  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.510   0.602  -2.780  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.148   0.938  -2.938  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   30   31   32                                       
CONECT    4    5   33    1                                            
CONECT    5    4    6    8   34                                       
CONECT    6    5    7    7    9                                       
CONECT    7    6    6                                                 
CONECT    8    5   35   36   37                                       
CONECT    9   10   38    6                                            
CONECT   10    9   11   13   39                                       
CONECT   11   10   12   12   22                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   40   41                                       
CONECT   14   13   15   42   43                                       
CONECT   15   14   16   44   45                                       
CONECT   16   15   17   46   47                                       
CONECT   17   16   48   49   50                                       
CONECT   18   19   51                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   52                                                 
CONECT   21   19   22   23   53                                       
CONECT   22   21   54   11                                            
CONECT   23   21   24   55   56                                       
CONECT   24   23   25   57   58                                       
CONECT   25   24   26   59   60                                       
CONECT   26   25   27   61                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27   62                                            
CONECT   29   27   63   64                                            
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
