Remark line goes here MASS BOND ANGLE cy-n -os 66.990 112.650 same as c3-n -os, penalty score= 7.5 DIHE hc-c3-cy-n 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 86.5 hc-c3-cy-c3 1 0.160 0.000 3.000 same as hc-c3-c3-c3, penalty score= 86.5 hc-c3-cy-cy 1 0.160 0.000 3.000 same as hc-c3-c3-c3, penalty score=173.5 nc-cc-ce-c 4 4.000 180.000 2.000 same as X -ce-ce-X , penalty score=136.0 cd-cc-ce-c 4 4.000 180.000 2.000 same as X -ce-ce-X , penalty score=136.0 c -ce-n2-os 2 1.600 180.000 2.000 same as X -ce-ne-X , penalty score=160.5 cc-ce-n2-os 2 1.600 180.000 2.000 same as X -ce-ne-X , penalty score=160.5 cc-cd-ss-cd 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 nc-cc-ce-n2 4 16.000 180.000 2.000 same as X -cc-cc-X , penalty score=136.0 nc-cd-ss-cd 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 h4-cd-ss-cd 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 cd-cc-ce-n2 4 16.000 180.000 2.000 same as X -cc-cc-X , penalty score=136.0 nh-cd-ss-cd 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 IMPROPER c -cy-n -os 1.1 180.0 2.0 Using the default value cy-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c -cy-n -hn 1.1 180.0 2.0 Using general improper torsional angle X- X- n-hn, penalty score= 6.0) ce-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c -cc-ce-n2 1.1 180.0 2.0 Using the default value cd-ce-cc-nc 1.1 180.0 2.0 Using the default value nc-nh-cd-ss 1.1 180.0 2.0 Using the default value cc-h4-cd-ss 1.1 180.0 2.0 Using the default value cd-hn-nh-hn 1.1 180.0 2.0 Same as X -X -na-hn, penalty score= 41.2 (use general term)) c3-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) NONBON