Remark line goes here MASS BOND ANGLE DIHE ca-ca-cd-cc 1 3.770 180.000 2.000 same as ca-ca-ce-cc, penalty score=142.0 ca-ca-cd-ca 1 0.805 180.000 2.000 same as ca-ca-ce-ca, penalty score=142.0 IMPROPER ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) ca-cp-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) cd-h4-cc-na 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term)) ca-ca-ca-ca 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score= 31.1) ca-ca-cp-cp 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=327.0) ca-ca-ca-cd 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score= 54.0) ca-na-ca-nb 1.1 180.0 2.0 Using the default value cp-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term)) ca-ca-cd-cc 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=250.3) c3-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) ca-cc-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0) NONBON