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fix a typo in the Crippen parameters (thanks to C. Kramer for pointing this out)

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Greg Landrum
2010-08-31 14:59:36 +00:00
parent ffa34bc886
commit e7eb09057d
2 changed files with 2 additions and 2 deletions
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2
Data/Crippen.txt
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@@ -77,7 +77,7 @@ O3 [O]([A;!#1])[A;!#1] -0.0684 1.085
O4 [O](a)[!#1;A,a] -0.4195 1.182
O5 [O]=[#7,#8] 0.0335 3.367
O5 [OX1;-,-2,-3][#7] 0.0335 3.367
O6 [OX1;-,-2,-2][#17] -0.3339 0.7774
O6 [OX1;-,-2,-2][#16] -0.3339 0.7774
O12 [O-]C(=O) -1.326 "order flip here intentional"
O7 [OX1;-,-2,-3][!#1;!N;!S] -1.189 0
O8 [O]=c 0.1788 3.135