Patch for @cdk.bug 3523247

cdk · Jul 29, 2012 · deebfab · deebfab
1 parent 0b31c15
commit deebfab
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/main/org/openscience/cdk/modeling/forcefield/data/mmff94.prm b/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