Remark line goes here MASS BOND ANGLE cc-na-cx 62.560 125.090 same as c3-na-cc, penalty score= 8.0 DIHE cx-cx-na-ca 6 0.000 0.000 2.000 same as X -c3-na-X , penalty score= 92.0 h1-cx-na-ca 6 0.000 0.000 2.000 same as X -c3-na-X , penalty score= 92.0 cx-cx-na-cc 6 0.000 0.000 2.000 same as X -c3-na-X , penalty score= 92.0 h1-cx-na-cc 6 0.000 0.000 2.000 same as X -c3-na-X , penalty score= 92.0 IMPROPER c3-c3-nh-ca 1.1 180.0 2.0 Using the default value ca-ca-ca-nh 1.1 180.0 2.0 Using the default value ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) ca-ca-ca-na 1.1 180.0 2.0 Using the default value ca-cc-na-cx 1.1 180.0 2.0 Same as c2-c2-na-c3, penalty score= 70.7) cd-h4-cc-na 1.1 180.0 2.0 Using the default value c -c -cd-cc 1.1 180.0 2.0 Using the default value cd-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) ca-cd-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c -ca-ca-ca 1.1 180.0 2.0 Using the default value NONBON