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Patch for @cdk.bug 3523247

Signed-off-by: Rajarshi  Guha <rajarshi.guha@gmail.com>
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danielszisz authored and rajarshi committed May 8, 2012
1 parent d7338ec commit 174493c4728c1a39c965cae828855c6210d502fa
Showing with 2 additions and 1 deletion.
  1. +2 −1 src/main/org/openscience/cdk/modeling/forcefield/data/mmff94.prm
@@ -177,6 +177,7 @@ bond 0 C -P=C 1.858 183.298 -366.596 427.695 -0.2550
bond 0 C C5 1.465 330.541 -661.082 771.262 -0.1680
bond 0 C CIM+ 1.477 314.708 -629.417 734.320 -0.1440
bond 0 C N5+ 1.441 324.712 -649.423 757.661 -0.5140
bond 0 C N 1.451 365.876 -731.753 853.712 -0.2700
bond 0 Csp2 Csp2 1.333 684.039 1368.078 596.091 0.0000
bond 1 Csp2 Csp2 1.430 382.141 -764.282 891.662 0.0000
bond 1 Csp2 C= 1.468 328.526 -657.052 766.561 -0.0144
@@ -4464,4 +4465,4 @@ data CA+2 1.948 0.097 0.900 5.000 - 2.0000 0.0000 0.0000
data CU+1 1.538 0.106 0.350 6.000 - 1.0000 0.0000 0.0000
data CU+2 1.591 0.106 0.400 6.000 - 2.0000 0.0000 0.0000
data MG+2 1.538 0.070 0.350 3.500 - 2.0000 0.0000 0.0000
data Du 0.500 0.000 0.000 0.000 - 0.0000 0.0000 0.0000
data Du 0.500 0.000 0.000 0.000 - 0.0000 0.0000 0.0000

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