Remark line goes here MASS BOND ANGLE n -ca-nb 72.700 116.940 same as nb-ca-nh, penalty score= 1.8 DIHE ca-ca-cx-cx 6 0.000 0.000 2.000 same as X -c3-ca-X , penalty score= 92.0 ca-ca-cx-c 6 0.000 0.000 2.000 same as X -c3-ca-X , penalty score= 92.0 ca-cp-nb-ca 2 9.600 180.000 2.000 same as X -ca-nb-X , penalty score=418.5 cp-cp-nb-ca 2 9.600 180.000 2.000 same as X -ca-nb-X , penalty score=418.5 IMPROPER c -ca-n -hn 1.1 180.0 2.0 Using general improper torsional angle X- X- n-hn, penalty score= 6.0) ca-ca-ca-cx 1.1 180.0 2.0 Using the default value cx-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) 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-os 1.1 180.0 2.0 Using the default value ca-n -ca-nb 1.1 180.0 2.0 Using the default value ca-cp-cp-nb 1.1 180.0 2.0 Using the default value c3-ca-ca-cp 1.1 180.0 2.0 Using the default value ca-ca-cp-cp 1.1 180.0 2.0 Using the default value ca-cp-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) c -ca-ca-ca 1.1 180.0 2.0 Using the default value ca-o -c -oh 1.1 180.0 2.0 Using the default value NONBON