COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.363  -1.964   2.307  1.00  0.00           O  
HETATM    2  C   UNL     1       5.322  -2.212  -0.074  1.00  0.00           C  
HETATM    3  C   UNL     1       7.723  -2.623  -0.025  1.00  0.00           C  
HETATM    4  C   UNL     1       7.335  -1.365  -0.842  1.00  0.00           C  
HETATM    5  C   UNL     1       8.215   0.723   0.269  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.315   2.793  -1.038  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.773   3.916  -0.072  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.426   4.563   0.334  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.378   3.475   0.032  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.610   3.125   1.308  1.00  0.00           C  
HETATM   11  C   UNL     1       4.436  -2.068   1.165  1.00  0.00           C  
HETATM   12  C   UNL     1       6.358  -3.331   0.149  1.00  0.00           C  
HETATM   13  C   UNL     1      10.094   1.021  -0.773  1.00  0.00           C  
HETATM   14  C   UNL     1       9.493  -0.128  -1.314  1.00  0.00           C  
HETATM   15  C   UNL     1      11.277  -0.366  -2.743  1.00  0.00           C  
HETATM   16  C   UNL     1      11.334   1.428  -1.293  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.117   1.660  -2.123  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.081   0.642  -2.200  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.159  -0.301  -1.142  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.263  -0.168  -0.065  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.365   0.856  -0.085  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.114  -1.326  -1.198  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.955  -1.402  -2.268  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.879  -0.477  -3.307  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.963   0.531  -3.286  1.00  0.00           C  
HETATM   26  I   UNL     1      -8.248  -2.730   0.351  1.00  0.00           I  
HETATM   27  N   UNL     1       8.312  -0.293  -0.635  1.00  0.00           N  
HETATM   28  N   UNL     1       9.260   1.495   0.184  1.00  0.00           N  
HETATM   29  N   UNL     1      10.115  -0.784  -2.288  1.00  0.00           N  
HETATM   30  N   UNL     1      11.879   0.709  -2.268  1.00  0.00           N  
HETATM   31  N   UNL     1      11.973   2.553  -0.800  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.310   1.720  -1.089  1.00  0.00           N1+
HETATM   33  O   UNL     1      -0.564   2.202   0.997  1.00  0.00           O  
HETATM   34  O   UNL     1       1.404   0.513   1.427  1.00  0.00           O  
HETATM   35  O   UNL     1       3.417  -1.099   0.912  1.00  0.00           O  
HETATM   36  O   UNL     1       6.050  -0.993  -0.299  1.00  0.00           O  
HETATM   37  O   UNL     1       8.634  -3.446  -0.758  1.00  0.00           O  
HETATM   38  O   UNL     1       6.199  -4.361  -0.828  1.00  0.00           O  
HETATM   39  O   UNL     1       2.969  -0.260   3.250  1.00  0.00           O  
HETATM   40  O   UNL     1       1.344   2.813   2.699  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.329   0.990   3.198  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.085   2.319  -0.449  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.174   5.732  -0.449  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.610   4.858  -0.746  1.00  0.00           O  
HETATM   45  P   UNL     1       0.447   1.616   2.104  1.00  0.00           P  
HETATM   46  P   UNL     1       2.303  -0.693   2.001  1.00  0.00           P  
HETATM   47  H   UNL     1       0.894  -2.302   1.532  1.00  0.00           H  
HETATM   48  H   UNL     1       4.709  -2.443  -0.945  1.00  0.00           H  
HETATM   49  H   UNL     1       8.145  -2.345   0.941  1.00  0.00           H  
HETATM   50  H   UNL     1       7.251  -1.606  -1.902  1.00  0.00           H  
HETATM   51  H   UNL     1       7.391   0.868   0.952  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.133   3.195  -2.035  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.281   3.498   0.797  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.428   4.808   1.396  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.685   3.830  -0.731  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.180   4.031   1.735  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.291   2.672   2.029  1.00  0.00           H  
HETATM   58  H   UNL     1       3.975  -3.028   1.396  1.00  0.00           H  
HETATM   59  H   UNL     1       5.044  -1.744   2.010  1.00  0.00           H  
HETATM   60  H   UNL     1       6.266  -3.740   1.155  1.00  0.00           H  
HETATM   61  H   UNL     1      11.755  -0.922  -3.536  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.037   2.390  -2.915  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.288  -0.863   0.761  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.675   0.964   0.738  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.690  -2.192  -2.312  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.557  -0.561  -4.144  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.917   1.241  -4.099  1.00  0.00           H  
HETATM   68  H   UNL     1      11.565   3.070  -0.089  1.00  0.00           H  
HETATM   69  H   UNL     1      12.830   2.823  -1.167  1.00  0.00           H  
HETATM   70  H   UNL     1       8.871  -4.268  -0.307  1.00  0.00           H  
HETATM   71  H   UNL     1       6.826  -5.091  -0.734  1.00  0.00           H  
HETATM   72  H   UNL     1       1.880   3.269   2.036  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.805   6.450  -0.299  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.922   5.580  -0.183  1.00  0.00           H  
CONECT    1   46   47                                                 
CONECT    2   11   36   12   48                                       
CONECT    3   12    4   37   49                                       
CONECT    4   36    3   27   50                                       
CONECT    5   27   28   28   51                                       
CONECT    6   42    7   32   52                                       
CONECT    7    8   44    6   53                                       
CONECT    8   43    9    7   54                                       
CONECT    9    8   10   42   55                                       
CONECT   10    9   33   56   57                                       
CONECT   11   35    2   58   59                                       
CONECT   12    2   38    3   60                                       
CONECT   13   14   28   16   16                                       
CONECT   14   27   29   29   13                                       
CONECT   15   29   30   30   61                                       
CONECT   16   13   13   30   31                                       
CONECT   17   32   32   18   62                                       
CONECT   18   17   25   19   19                                       
CONECT   19   18   18   20   22                                       
CONECT   20   21   21   19   63                                       
CONECT   21   32   20   20   64                                       
CONECT   22   19   23   23   26                                       
CONECT   23   24   22   22   65                                       
CONECT   24   25   25   23   66                                       
CONECT   25   18   24   24   67                                       
CONECT   26   22                                                      
CONECT   27    4    5   14                                            
CONECT   28    5    5   13                                            
CONECT   29   14   14   15                                            
CONECT   30   15   15   16                                            
CONECT   31   16   68   69                                            
CONECT   32    6   17   17   21                                       
CONECT   33   10   45                                                 
CONECT   34   45   46                                                 
CONECT   35   46   11                                                 
CONECT   36    2    4                                                 
CONECT   37    3   70                                                 
CONECT   38   12   71                                                 
CONECT   39   46   46                                                 
CONECT   40   45   72                                                 
CONECT   41   45   45                                                 
CONECT   42    9    6                                                 
CONECT   43    8   73                                                 
CONECT   44    7   74                                                 
CONECT   45   41   41   33   40                                       
CONECT   45   34                                                      
CONECT   46   34   39   39    1                                       
CONECT   46   35                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   40                                                      
CONECT   73   43                                                      
CONECT   74   44                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
