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view CADDSuite/data/OpenBabel/mmffprop.par @ 8:9ab6da6cd36c

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author marcel
date Fri, 02 Sep 2011 08:48:21 -0400
parents bac3c274238f
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*
*                Copyright (c) Merck and Co., Inc., 1993
*                         All Rights Reserved
*
* MMFFPROP - MMFF atom-type properties
*
* atype aspec crd val  pilp mltb arom lin sbmb
    1    6    4    4    0    0    0    0    0
    2    6    3    4    0    2    0    0    1
    3    6    3    4    0    2    0    0    1
    4    6    2    4    0    3    0    1    1
    5    1    1    1    0    0    0    0    0
    6    8    2    2    1    0    0    0    0
    7    8    1    2    0    2    0    0    0
    8    7    3    3    1    0    0    0    0
    9    7    2    3    0    2    0    0    1
   10    7    3    3    1    1    0    0    0
   11    9    1    1    1    0    0    0    0
   12   17    1    1    1    0    0    0    0
   13   35    1    1    1    0    0    0    0
   14   53    1    1    1    0    0    0    0
   15   16    2    2    1    0    0    0    0
   16   16    1    2    0    2    0    0    0
   17   16    3    4    0    2    0    0    0
   18   16    4    4    0    0    0    0    0
   19   14    4    4    0    0    0    0    0
   20    6    4    4    0    0    0    0    0
   21    1    1    1    0    0    0    0    0
   22    6    4    4    0    0    0    0    0
   23    1    1    1    0    0    0    0    0
   24    1    1    1    0    0    0    0    0
   25   15    4    4    0    0    0    0    0
   26   15    3    3    1    0    0    0    0
   27    1    1    1    0    0    0    0    0
   28    1    1    1    0    0    0    0    0
   29    1    1    1    0    0    0    0    0
   30    6    3    4    0    2    0    0    1
   31    1    1    1    0    0    0    0    0
   32    8    1   12    1    1    0    0    0
   33    1    1    1    0    0    0    0    0
   34    7    4    4    0    0    0    0    0
   35    8    1    1    1    1    0    0    0
   36    1    1    1    0    0    0    0    0
   37    6    3    4    0    2    1    0    1
   38    7    2    3    0    2    1    0    0
   39    7    3    3    1    1    1    0    1
   40    7    3    3    1    0    0    0    0
   41    6    3    4    0    1    0    0    0
   42    7    1    3    0    3    0    0    0
   43    7    3    3    1    0    0    0    0
   44   16    2    2    1    1    1    0    0
   45    7    3    4    0    2    0    0    0
   46    7    2    3    0    2    0    0    0
   47    7    1    2    0    2    0    0    0
   48    7    2    2    0    0    0    0    0
   49    8    3    3    0    0    0    0    0
   50    1    1    1    0    0    0    0    0
   51    8    2    3    0    2    0    0    0
   52    1    1    1    0    0    0    0    0
   53    7    2    4    0    2    0    1    0
   54    7    3    4    0    2    0    0    1
   55    7    3   34    0    1    0    0    0
   56    7    3   34    0    1    0    0    0
   57    6    3    4    0    2    0    0    1
   58    7    3    4    0    1    1    0    1
   59    8    2    2    1    1    1    0    0
   60    6    1    3    0    3    0    0    0
   61    7    2    4    0    3    0    1    0
   62    7    2    2    1    0    0    0    0
   63    6    3    4    0    2    1    0    1
   64    6    3    4    0    2    1    0    1
   65    7    2    3    0    2    1    0    0
   66    7    2    3    0    2    1    0    0
   67    7    3    4    0    2    0    0    1
   68    7    4    4    0    0    0    0    0
   69    7    3    4    0    1    1    0    0
   70    8    2    2    1    0    0    0    0
   71    1    1    1    0    0    0    0    0
   72   16    1    1    1    1    0    0    0
   73   16    3    3    0    0    0    0    0
   74   16    2    4    0    2    0    0    0
   75   15    2    3    0    2    0    0    1
   76    7    2    2    1    0    0    0    0
   77   17    4    4    0    0    0    0    0
   78    6    3    4    0    2    1    0    1
   79    7    2    3    0    2    1    0    0
   80    6    3    4    0    2    0    0    1
   81    7    3    4    0    1    1    0    1
   82    7    3    4    0    1    1    0    0
   87   26    0    0    0    0    0    0    0
   88   26    0    0    0    0    0    0    0
   89    9    0    0    0    0    0    0    0
   90   17    0    0    0    0    0    0    0
   91   35    0    0    0    0    0    0    0
   92    3    0    0    0    0    0    0    0
   93   11    0    0    0    0    0    0    0
   94   19    0    0    0    0    0    0    0
   95   30    0    0    0    0    0    0    0
   96   20    0    0    0    0    0    0    0
   97   29    0    0    0    0    0    0    0
   98   29    0    0    0    0    0    0    0
   99   12    0    0    0    0    0    0    0
$