Remark line goes here MASS BOND ANGLE c -cc-na 68.700 123.270 same as c2-cc-na, penalty score= 2.6 DIHE IMPROPER c3-cc-na-cd 1.1 180.0 2.0 Using the default value cc-na-cd-nd 1.1 180.0 2.0 Using the default value n -nd-cc-nh 1.1 180.0 2.0 Using the default value c -cc-n -hn 1.1 180.0 2.0 Using general improper torsional angle X- X- n-hn, penalty score= 6.0) cc-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c -cd-cc-na 1.1 180.0 2.0 Using the default value c3-cc-na-cc 1.1 180.0 2.0 Using the default value h5-na-cc-na 1.1 180.0 2.0 Using the default value cc-hn-nh-hn 1.1 180.0 2.0 Same as X -X -na-hn, penalty score= 41.2 (use general term)) NONBON