COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       1.845  -0.801  -0.379  1.00  0.00           B1-
HETATM    2  C   UNL     1      -5.178  -0.064   0.615  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.707   0.538   1.940  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.409  -0.143   2.377  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.335   0.073   1.309  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.037  -0.608   1.747  1.00  0.00           C  
HETATM    7  C   UNL     1       0.054  -0.293   0.756  1.00  0.00           C  
HETATM    8  C   UNL     1       1.164   0.519  -1.011  1.00  0.00           C  
HETATM    9  C   UNL     1       3.907   0.286  -0.333  1.00  0.00           C  
HETATM   10  C   UNL     1       5.299   0.143  -0.175  1.00  0.00           C  
HETATM   11  C   UNL     1       5.899  -1.202  -0.118  1.00  0.00           C  
HETATM   12  C   UNL     1       6.110   1.274  -0.072  1.00  0.00           C  
HETATM   13  C   UNL     1       5.544   2.528  -0.125  1.00  0.00           C  
HETATM   14  C   UNL     1       4.175   2.666  -0.269  1.00  0.00           C  
HETATM   15  C   UNL     1       3.355   1.553  -0.361  1.00  0.00           C  
HETATM   16  C   UNL     1       1.871   1.762  -0.461  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.806  -0.529  -0.016  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.104   0.152  -0.453  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.142   0.448  -0.286  1.00  0.00           N  
HETATM   20  O   UNL     1       1.330  -1.888  -1.028  1.00  0.00           O  
HETATM   21  O   UNL     1       1.319  -0.763   0.887  1.00  0.00           O  
HETATM   22  O   UNL     1       3.166  -0.828  -0.485  1.00  0.00           O  
HETATM   23  O   UNL     1       5.193  -2.187  -0.208  1.00  0.00           O  
HETATM   24  O   UNL     1       7.231  -1.340   0.033  1.00  0.00           O  
HETATM   25  H   UNL     1      -5.353  -1.132   0.743  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.532   1.607   1.812  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.472   0.384   2.701  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.074   0.286   3.322  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.584  -1.211   2.506  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.160   1.141   1.181  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.749  -0.243   2.732  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.189  -1.686   1.789  1.00  0.00           H  
HETATM   33  H   UNL     1       7.178   1.166   0.050  1.00  0.00           H  
HETATM   34  H   UNL     1       6.170   3.406  -0.055  1.00  0.00           H  
HETATM   35  H   UNL     1       3.740   3.654  -0.309  1.00  0.00           H  
HETATM   36  H   UNL     1       1.674   2.605  -1.123  1.00  0.00           H  
HETATM   37  H   UNL     1       1.475   1.988   0.529  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.040  -0.375  -0.777  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.981  -1.597   0.112  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.439  -0.277  -1.398  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.928   1.220  -0.581  1.00  0.00           H  
HETATM   42  H   UNL     1       1.548  -2.734  -0.613  1.00  0.00           H  
HETATM   43  H   UNL     1       7.579  -2.242   0.065  1.00  0.00           H  
HETATM   44  N   UNL     1      -6.424   0.590   0.195  1.00  0.00           N  
HETATM   45  C   UNL     1      -7.210  -0.288  -0.683  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.498   0.426  -1.098  1.00  0.00           C  
HETATM   47  N   UNL     1      -9.283  -0.452  -1.975  1.00  0.00           N  
HETATM   48  H   UNL     1      -6.967   0.881   0.994  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.139  -0.003  -2.264  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.741  -0.744  -2.775  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.626  -0.531  -1.571  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.459  -1.206  -0.150  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.082   0.668  -0.210  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.249   1.344  -1.631  1.00  0.00           H  
HETATM   55  H   UNL     1       1.085   0.502  -2.098  1.00  0.00           H  
CONECT    1    8   20   21   22                                       
CONECT    2    3   18   25   44                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4   17    6   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7   19   19    6   21                                       
CONECT    8   19   16    1   55                                       
CONECT    9   15   22   10   10                                       
CONECT   10    9    9   12   11                                       
CONECT   11   10   23   23   24                                       
CONECT   12   13   13   10   33                                       
CONECT   13   14   12   12   34                                       
CONECT   14   15   15   13   35                                       
CONECT   15   16   14   14    9                                       
CONECT   16    8   15   36   37                                       
CONECT   17   18    5   38   39                                       
CONECT   18    2   17   40   41                                       
CONECT   19    8    7    7                                            
CONECT   20    1   42                                                 
CONECT   21    7    1                                                 
CONECT   22    1    9                                                 
CONECT   23   11   11                                                 
CONECT   24   11   43                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   24                                                      
CONECT   44    2   45   48                                            
CONECT   45   44   46   51   52                                       
CONECT   46   45   47   53   54                                       
CONECT   47   46   49   50                                            
CONECT   48   44                                                      
CONECT   49   47                                                      
CONECT   50   47                                                      
CONECT   51   45                                                      
CONECT   52   45                                                      
CONECT   53   46                                                      
CONECT   54   46                                                      
CONECT   55    8                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
