COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.699  -0.188  -1.018  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.424  -1.274  -0.281  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.993  -0.703   1.020  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.864   0.487   0.708  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.226   0.321   0.541  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.025   1.412   0.254  1.00  0.00           C  
HETATM    7  C   UNL     1       0.925  -0.309   1.047  1.00  0.00           C  
HETATM    8  C   UNL     1       1.755   0.911   0.742  1.00  0.00           C  
HETATM    9  C   UNL     1       3.156   0.926   0.313  1.00  0.00           C  
HETATM   10  C   UNL     1       0.498  -0.976  -0.262  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.500  -1.752  -1.091  1.00  0.00           O  
HETATM   12  O   UNL     1       4.606  -2.352   0.114  1.00  0.00           O1-
HETATM   13  C   UNL     1       0.246   1.028  -1.755  1.00  0.00           C  
HETATM   14  O   UNL     1       0.464  -3.238   0.325  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.102   2.836   0.313  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.302   1.744   0.594  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.204  -2.264   0.049  1.00  0.00           C  
HETATM   18  C   UNL     1       4.106  -0.066   0.065  1.00  0.00           C  
HETATM   19  C   UNL     1       5.365   0.284  -0.335  1.00  0.00           C  
HETATM   20  C   UNL     1       5.707   1.620  -0.495  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.125  -3.686   0.353  1.00  0.00           C  
HETATM   22  N   UNL     1       3.751  -1.493   0.235  1.00  0.00           N1+
HETATM   23  O   UNL     1       2.604  -1.809   0.494  1.00  0.00           O  
HETATM   24  C   UNL     1       4.786   2.615  -0.255  1.00  0.00           C  
HETATM   25  C   UNL     1       3.498   2.281   0.151  1.00  0.00           C  
HETATM   26  N   UNL     1       2.379   3.022   0.462  1.00  0.00           N  
HETATM   27  C   UNL     1       1.350   2.189   0.806  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.368  -0.067  -1.000  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.347   0.610  -1.661  1.00  0.00           O  
HETATM   30  N   UNL     1      -1.535  -2.383   0.036  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.462   2.669   0.134  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.587  -1.466   1.523  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.174  -0.393   1.669  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.666  -0.661   0.635  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.089   1.283   0.124  1.00  0.00           H  
HETATM   36  H   UNL     1       1.514  -1.011   1.637  1.00  0.00           H  
HETATM   37  H   UNL     1       0.039  -0.014   1.611  1.00  0.00           H  
HETATM   38  H   UNL     1       1.384  -1.188  -0.860  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.219  -2.118  -1.941  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.535   1.663  -2.174  1.00  0.00           H  
HETATM   41  H   UNL     1       0.878   1.618  -1.091  1.00  0.00           H  
HETATM   42  H   UNL     1       0.851   0.617  -2.563  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.661   3.818   0.219  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.239   1.875   0.734  1.00  0.00           H  
HETATM   45  H   UNL     1       6.099  -0.484  -0.526  1.00  0.00           H  
HETATM   46  H   UNL     1       6.706   1.882  -0.812  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.239  -4.266  -0.563  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.474  -4.221   1.044  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.102  -3.539   0.814  1.00  0.00           H  
HETATM   50  H   UNL     1       5.062   3.652  -0.383  1.00  0.00           H  
HETATM   51  H   UNL     1       2.328   3.990   0.436  1.00  0.00           H  
HETATM   52  H   UNL     1       0.359   2.512   1.089  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.087   3.522  -0.085  1.00  0.00           H  
CONECT    1   29   29    2   28                                       
CONECT    2    3    1   11   30                                       
CONECT    3    4    2   32   33                                       
CONECT    4   16   16    5    3                                       
CONECT    5    6    6    4   34                                       
CONECT    6   31    5    5   35                                       
CONECT    7    8   10   36   37                                       
CONECT    8    7    9   27   27                                       
CONECT    9   18    8   25   25                                       
CONECT   10    7   28   17   38                                       
CONECT   11    2   39                                                 
CONECT   12   22                                                      
CONECT   13   28   40   41   42                                       
CONECT   14   17   17                                                 
CONECT   15   31   31   16   43                                       
CONECT   16   15    4    4   44                                       
CONECT   17   10   30   14   14                                       
CONECT   18   22   19   19    9                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   24   24   46                                       
CONECT   21   30   47   48   49                                       
CONECT   22   23   23   12   18                                       
CONECT   23   22   22                                                 
CONECT   24   20   20   25   50                                       
CONECT   25    9    9   24   26                                       
CONECT   26   25   27   51                                            
CONECT   27    8    8   26   52                                       
CONECT   28    1   13   10                                            
CONECT   29    1    1                                                 
CONECT   30    2   17   21                                            
CONECT   31   15   15    6   53                                       
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
