remark goes here MASS BOND ANGLE n1-c2-c3 67.049 120.335 Calculated with empirical approach n2-c2-o 78.936 117.755 Calculated with empirical approach n -c2-o 74.833 117.460 Calculated with empirical approach c2-n -c1 69.013 109.720 Calculated with empirical approach c1-n -hn 51.493 110.270 Calculated with empirical approach DIHE IMPROPER c1-c2-n -hn 1.1 180.0 2.0 General improper torsional angle (2 general atom types) c3-n1-c2-n1 1.1 180.0 2.0 Using default value n -n2-c2-o 1.1 180.0 2.0 Using default value NONBON