Remark line goes here MASS BOND ANGLE c3-c1-o 57.930 180.000 Calculated with empirical approach for c3-c1-o n -c2-o 75.099 117.460 Calculated with empirical approach for n-c2-o DIHE IMPROPER c2-c3-n -hn 1.1 180.0 2.0 Using the default value n -o -c2-o 1.1 180.0 2.0 Using the default value NONBON