Remark line goes here MASS BOND ANGLE DIHE 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 c3-c3-ce-c2 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score=136.0 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 c3-c3-ce-c 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score=136.0 IMPROPER c3-o -c -os 1.1 180.0 2.0 Same as X -o -c -o , penalty score= 49.6 (use general term)) c3-c3-c2-ce 1.1 180.0 2.0 Using the default value c -c2-ce-c3 1.1 180.0 2.0 Using the default value ce-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) c2-c3-c2-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 47.1 (use general term)) c2-c3-c2-c3 1.1 180.0 2.0 Using the default value NONBON