Remark line goes here MASS BOND ANGLE n -c2-o 75.099 117.460 Calculated with empirical approach for n-c2-o DIHE IMPROPER n -n -c2-o 1.1 180.0 2.0 Using the default value c2-hn-n -hn 1.1 180.0 2.0 Using the default value NONBON