Remark line goes here MASS BOND ANGLE DIHE h4-cd-ss-cd 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 cc-cd-ss-cd 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 cy-cy-ss-c3 3 1.000 0.000 3.000 same as X -c3-ss-X , penalty score= 86.5 h2-cy-ss-c3 3 1.000 0.000 3.000 same as X -c3-ss-X , penalty score= 86.5 n -cy-ss-c3 3 1.000 0.000 3.000 same as X -c3-ss-X , penalty score= 86.5 IMPROPER cc-h4-cd-ss 1.1 180.0 2.0 Using the default value cc-cd-cc-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 38.9 (use general term)) c3-cc-cc-cd 1.1 180.0 2.0 Using the default value c3-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) c3-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) c -c3-n -cy 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) NONBON