COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.922  -4.764   0.463  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.113  -3.996   0.277  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.966  -2.652   0.143  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.702  -2.088   0.183  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.082  -1.847  -0.040  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.938  -0.474  -0.178  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.035   0.308  -0.356  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.814   1.714  -0.491  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.679   0.100  -0.134  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.552  -0.706   0.045  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.247  -0.117   0.085  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.177   0.365   0.119  1.00  0.00           C  
HETATM   13  C   UNL     1       0.127   0.954   0.160  1.00  0.00           C  
HETATM   14  N   UNL     1       1.267   0.315   0.315  1.00  0.00           N  
HETATM   15  C   UNL     1       0.442   2.379   0.030  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.312   3.548  -0.157  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.689   3.494  -0.261  1.00  0.00           N  
HETATM   18  N   UNL     1       0.332   4.709  -0.232  1.00  0.00           N  
HETATM   19  C   UNL     1       1.648   4.766  -0.133  1.00  0.00           C  
HETATM   20  N   UNL     1       2.394   3.698   0.042  1.00  0.00           N  
HETATM   21  C   UNL     1       1.841   2.489   0.129  1.00  0.00           C  
HETATM   22  N   UNL     1       2.328   1.226   0.302  1.00  0.00           N  
HETATM   23  C   UNL     1       3.743   0.879   0.449  1.00  0.00           C  
HETATM   24  C   UNL     1       4.181  -0.105  -0.657  1.00  0.00           C  
HETATM   25  C   UNL     1       3.977   0.067   1.750  1.00  0.00           C  
HETATM   26  C   UNL     1       5.249  -0.740   1.388  1.00  0.00           C  
HETATM   27  N   UNL     1       5.086  -1.084  -0.036  1.00  0.00           N  
HETATM   28  C   UNL     1       5.669  -2.124  -0.666  1.00  0.00           C  
HETATM   29  O   UNL     1       5.461  -2.312  -1.849  1.00  0.00           O  
HETATM   30  C   UNL     1       6.556  -3.030   0.079  1.00  0.00           C  
HETATM   31  C   UNL     1       7.132  -4.056  -0.542  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.414  -4.433   1.368  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.181  -5.819   0.556  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.264  -4.626  -0.395  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.834  -2.715   0.321  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.066  -2.292  -0.075  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.178   1.900  -1.356  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.770   2.220  -0.627  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.327   2.093   0.407  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.568   1.169  -0.241  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.146   2.641  -0.204  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.198   4.310  -0.390  1.00  0.00           H  
HETATM   43  H   UNL     1       2.131   5.730  -0.200  1.00  0.00           H  
HETATM   44  H   UNL     1       4.363   1.776   0.434  1.00  0.00           H  
HETATM   45  H   UNL     1       3.309  -0.614  -1.066  1.00  0.00           H  
HETATM   46  H   UNL     1       4.701   0.434  -1.449  1.00  0.00           H  
HETATM   47  H   UNL     1       4.162   0.729   2.596  1.00  0.00           H  
HETATM   48  H   UNL     1       3.137  -0.598   1.952  1.00  0.00           H  
HETATM   49  H   UNL     1       6.140  -0.129   1.531  1.00  0.00           H  
HETATM   50  H   UNL     1       5.309  -1.646   1.992  1.00  0.00           H  
HETATM   51  H   UNL     1       6.741  -2.862   1.130  1.00  0.00           H  
HETATM   52  H   UNL     1       7.783  -4.721   0.005  1.00  0.00           H  
HETATM   53  H   UNL     1       6.947  -4.223  -1.593  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    5    4                                       
CONECT    4    3   10   10   35                                       
CONECT    5    3    3    6   36                                       
CONECT    6    5    7    9    9                                       
CONECT    7    8    6                                                 
CONECT    8    7   37   38   39                                       
CONECT    9    6    6   10   40                                       
CONECT   10    4    4    9   11                                       
CONECT   11   10   12   12   12                                       
CONECT   12   11   11   11   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   22                                            
CONECT   15   13   21   21   16                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16   41   42                                            
CONECT   18   16   16   19                                            
CONECT   19   20   20   18   43                                       
CONECT   20   21   19   19                                            
CONECT   21   22   15   15   20                                       
CONECT   22   14   23   21                                            
CONECT   23   25   22   24   44                                       
CONECT   24   27   23   45   46                                       
CONECT   25   26   23   47   48                                       
CONECT   26   27   25   49   50                                       
CONECT   27   26   28   24                                            
CONECT   28   29   29   27   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   31   51                                       
CONECT   31   30   30   52   53                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
