Remark line goes here MASS BOND ANGLE o -p3-os 43.800 122.180 same as o -p3-o , penalty score= 5.5 n -c2-o 75.099 117.460 Calculated with empirical approach for n-c2-o DIHE IMPROPER c2-c2-n -c3 1.1 180.0 2.0 Using the default value c2-h4-c2-n 1.1 180.0 2.0 Using the default value c2-c2-c2-ha 1.1 180.0 2.0 Using the default value c2-n -c2-nh 1.1 180.0 2.0 Using the default value c2-hn-nh-hn 1.1 180.0 2.0 Same as X -X -na-hn, penalty score= 41.2 (use general term)) c2-c2-n -hn 1.1 180.0 2.0 Using general improper torsional angle X- X- n-hn, penalty score= 6.0) n -n -c2-o 1.1 180.0 2.0 Using the default value NONBON