COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1      -1.156   0.981  -2.207  1.00  0.00           B1-
HETATM    2  C   UNL     1       8.200  -3.347   2.725  1.00  0.00           C  
HETATM    3  C   UNL     1       8.338  -2.078   1.924  1.00  0.00           C  
HETATM    4  C   UNL     1       7.151  -1.166   1.748  1.00  0.00           C  
HETATM    5  C   UNL     1       6.143   1.202   0.647  1.00  0.00           C  
HETATM    6  C   UNL     1       4.993   0.748   1.282  1.00  0.00           C  
HETATM    7  C   UNL     1       3.829   1.487   1.209  1.00  0.00           C  
HETATM    8  C   UNL     1       3.807   2.678   0.505  1.00  0.00           C  
HETATM    9  C   UNL     1       2.534   3.482   0.428  1.00  0.00           C  
HETATM   10  C   UNL     1       1.797   3.134  -0.839  1.00  0.00           C  
HETATM   11  C   UNL     1       2.182   3.695  -2.043  1.00  0.00           C  
HETATM   12  C   UNL     1       1.504   3.377  -3.201  1.00  0.00           C  
HETATM   13  C   UNL     1       0.434   2.494  -3.171  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.448   2.014  -4.304  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.165   0.744  -3.794  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.772   0.813  -0.741  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.146   0.465  -0.266  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.589   1.434   0.831  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.700  -1.396  -0.013  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.843  -3.545  -0.677  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.198  -4.957  -0.623  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.315  -6.050  -0.661  1.00  0.00           C  
HETATM   23  C   UNL     1       0.402  -4.640  -0.034  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.683  -3.701  -0.262  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.283  -0.611  -1.238  1.00  0.00           C  
HETATM   26  C   UNL     1       0.053   1.931  -1.965  1.00  0.00           C  
HETATM   27  C   UNL     1       0.733   2.254  -0.803  1.00  0.00           C  
HETATM   28  C   UNL     1       4.949   3.132  -0.128  1.00  0.00           C  
HETATM   29  C   UNL     1       6.117   2.399  -0.059  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.743  -2.831  -0.308  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.522  -4.793  -0.859  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.766  -7.313  -1.003  1.00  0.00           N  
HETATM   33  N   UNL     1      -0.037  -5.842  -0.361  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.390  -3.591   0.027  1.00  0.00           N  
HETATM   35  O   UNL     1       9.399  -1.791   1.424  1.00  0.00           O  
HETATM   36  O   UNL     1       2.851   4.875   0.428  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.337   1.586  -1.810  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.944   1.160   1.190  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.801   3.543   1.897  1.00  0.00           O  
HETATM   40  O   UNL     1      -8.234   1.411   2.458  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.973   1.847   3.728  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.038  -0.886   0.264  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.962  -0.225  -1.549  1.00  0.00           O  
HETATM   44  P   UNL     1      -6.738   1.990   2.318  1.00  0.00           P1+
HETATM   45  S   UNL     1       7.633   0.266   0.744  1.00  0.00           S  
HETATM   46  H   UNL     1       9.155  -3.872   2.742  1.00  0.00           H  
HETATM   47  H   UNL     1       7.901  -3.103   3.744  1.00  0.00           H  
HETATM   48  H   UNL     1       7.443  -3.985   2.268  1.00  0.00           H  
HETATM   49  H   UNL     1       6.348  -1.707   1.247  1.00  0.00           H  
HETATM   50  H   UNL     1       6.806  -0.825   2.724  1.00  0.00           H  
HETATM   51  H   UNL     1       5.010  -0.181   1.831  1.00  0.00           H  
HETATM   52  H   UNL     1       2.935   1.135   1.702  1.00  0.00           H  
HETATM   53  H   UNL     1       1.906   3.251   1.289  1.00  0.00           H  
HETATM   54  H   UNL     1       3.014   4.383  -2.076  1.00  0.00           H  
HETATM   55  H   UNL     1       1.808   3.818  -4.139  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.181   2.780  -4.557  1.00  0.00           H  
HETATM   57  H   UNL     1       0.161   1.776  -5.176  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.605  -0.153  -4.058  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.185   0.692  -4.176  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.170   1.065   0.132  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.850   0.490  -1.098  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.949   1.310   1.706  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.510   2.458   0.466  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.027  -1.195   0.821  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.836  -3.137  -0.797  1.00  0.00           H  
HETATM   66  H   UNL     1       1.448  -4.516   0.204  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.826  -0.942  -2.124  1.00  0.00           H  
HETATM   68  H   UNL     1       0.431   1.815   0.136  1.00  0.00           H  
HETATM   69  H   UNL     1       4.928   4.062  -0.677  1.00  0.00           H  
HETATM   70  H   UNL     1       7.009   2.754  -0.554  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.701  -7.452  -1.220  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.146  -8.059  -1.025  1.00  0.00           H  
HETATM   73  H   UNL     1       3.408   5.152  -0.312  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.249   3.704   1.056  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.771   1.865   3.122  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.898   0.936   4.044  1.00  0.00           H  
CONECT    1   37   26   43   15                                       
CONECT    2    3   46   47   48                                       
CONECT    3    4    2   35   35                                       
CONECT    4   45    3   49   50                                       
CONECT    5   45   29   29    6                                       
CONECT    6    5    7    7   51                                       
CONECT    7    6    6    8   52                                       
CONECT    8   28   28    7    9                                       
CONECT    9    8   36   10   53                                       
CONECT   10    9   27   27   11                                       
CONECT   11   10   12   12   54                                       
CONECT   12   11   11   13   55                                       
CONECT   13   26   26   12   14                                       
CONECT   14   13   15   56   57                                       
CONECT   15    1   14   58   59                                       
CONECT   16   17   37   25   60                                       
CONECT   17   18   42   16   61                                       
CONECT   18   38   17   62   63                                       
CONECT   19   42   30   25   64                                       
CONECT   20   30   31   31   65                                       
CONECT   21   24   24   22   31                                       
CONECT   22   33   33   21   32                                       
CONECT   23   34   34   33   66                                       
CONECT   24   34   30   21   21                                       
CONECT   25   16   19   43   67                                       
CONECT   26   27    1   13   13                                       
CONECT   27   10   10   26   68                                       
CONECT   28   29    8    8   69                                       
CONECT   29    5    5   28   70                                       
CONECT   30   19   24   20                                            
CONECT   31   21   20   20                                            
CONECT   32   22   71   72                                            
CONECT   33   23   22   22                                            
CONECT   34   23   23   24                                            
CONECT   35    3    3                                                 
CONECT   36    9   73                                                 
CONECT   37   16    1                                                 
CONECT   38   44   18                                                 
CONECT   39   44   74                                                 
CONECT   40   44   75                                                 
CONECT   41   44   76                                                 
CONECT   42   17   19                                                 
CONECT   43   25    1                                                 
CONECT   44   40   39   41   38                                       
CONECT   45    4    5                                                 
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   36                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
