remark goes here MASS BOND ANGLE DIHE IMPROPER ca-ca-ca-ha 1.1 180.0 2.0 Using default value ca-ca-ca-nb 1.1 180.0 2.0 Using default value ca-ca-ca-ca 1.1 180.0 2.0 Using default value c -ca-ca-nb 1.1 180.0 2.0 Using default value NONBON