Remark line goes here MASS BOND ANGLE DIHE c6-c6-c6-n 1 0.100 0.000 3.000 same as c3-c3-c3-n , penalty score= 0.0 hc-c6-c6-n 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0 nd-cc-os-nc 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0 c6-cc-os-nc 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0 c6-c6-n -c 1 0.650 180.000 -4.000 same as c3-c3-n -c c6-c6-n -c 1 0.030 180.000 -3.000 same as c3-c3-n -c c6-c6-n -c 1 2.260 0.000 1.000 same as c3-c3-n -c , penalty score= 0.0 h1-c6-n -c 1 0.000 180.000 2.000 same as h1-c3-n -c , penalty score= 0.0 c3-c -n -c6 1 1.410 180.000 -2.000 same as c3-c -n -c3 c3-c -n -c6 1 2.930 0.000 -1.000 same as c3-c -n -c3 c3-c -n -c6 1 0.500 0.000 3.000 same as c3-c -n -c3, penalty score= 0.0 c6-c6-n -c6 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0 h1-c6-n -c6 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0 c6-c6-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0 c6-c6-c6-cc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0 c6-c6-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0 c6-c6-cc-os 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0 c6-c6-cc-nd 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0 c6-c6-c6-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0 cc-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0 cc-cd-ss-cd 1 2.430 180.000 1.000 same as cd-cc-ss-c2, penalty score=254.0 h4-cd-ss-cd 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 nc-cd-ss-cd 2 3.200 180.000 2.000 same as n2-c2-ss-ca, penalty score=406.0 cd-cd-ss-cd 1 2.430 180.000 1.000 same as cd-cc-ss-c2, penalty score=167.0 h1-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0 hc-c6-c6-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0 hc-c6-cc-os 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0 hc-c6-cc-nd 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0 IMPROPER c -c6-n -c6 1.1 180.0 2.0 Same as X -c3-n -c3, penalty score= 3.0 (use general term)) c3-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c6-nd-cc-os 1.1 180.0 2.0 Using the default value cd-nc-cd-nd 1.1 180.0 2.0 Using the default value cd-nc-cd-ss 1.1 180.0 2.0 Using the default value cd-h4-cc-nc 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term)) cc-h4-cd-ss 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term)) NONBON