Remark line goes here MASS BOND ANGLE c2-c3-n4 64.870 114.540 same as ca-c3-n4, penalty score= 2.8 DIHE c3-c3-ce-c2 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score=136.0 c3-c3-ce-c 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score=136.0 hc-c3-ce-c2 1 0.380 180.000 -3.000 same as hc-c3-c2-c2 hc-c3-ce-c2 1 1.150 0.000 1.000 same as hc-c3-c2-c2, penalty score=237.0 hc-c3-ce-c 1 0.380 180.000 -3.000 same as hc-c3-c2-c2 hc-c3-ce-c 1 1.150 0.000 1.000 same as hc-c3-c2-c2, penalty score=324.0 IMPROPER c3-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) 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-n 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-nh 1.1 180.0 2.0 Using the default value c3-c3-nh-ca 1.1 180.0 2.0 Using the default value c3-ce-c2-o 1.1 180.0 2.0 Using the default value c -c -ce-c2 1.1 180.0 2.0 Using the default value ce-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c -hn-n -hn 1.1 180.0 2.0 Using general improper torsional angle X- X- n-hn, penalty score= 6.0) c3-ce-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c3-ce-c2-oh 1.1 180.0 2.0 Using the default value c -c2-ce-c3 1.1 180.0 2.0 Using the default value ca-ce-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 ca-ca-ca-oh 1.1 180.0 2.0 Using the default value NONBON