Remark line goes here MASS BOND ANGLE DIHE c3-cc-os-nc 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0 ca-ca-cd-cc 1 3.770 180.000 2.000 same as ca-ca-ce-cc, penalty score=142.0 cd-cc-os-nc 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0 ca-ca-cd-cd 1 0.585 180.000 2.000 same as ca-ca-ce-c2, penalty score=229.0 cp-cp-cq-nb 4 4.000 180.000 -2.000 same as ca-ce-ce-n2 cp-cp-cq-nb 1 0.750 180.000 -3.000 same as ca-ce-ce-n2 cp-cp-cq-nb 1 0.820 180.000 1.000 same as ca-ce-ce-n2, penalty score=1145.0 cp-cp-cq-cq 1 0.765 180.000 2.000 same as ca-cp-cp-ca, penalty score=277.0 cp-cq-nb-ca 1 0.870 180.000 2.000 same as ca-ca-ne-c2, penalty score=709.0 ca-cp-cq-nb 4 4.000 180.000 -2.000 same as ca-ce-ce-n2 ca-cp-cq-nb 1 0.750 180.000 -3.000 same as ca-ce-ce-n2 ca-cp-cq-nb 1 0.820 180.000 1.000 same as ca-ce-ce-n2, penalty score=1058.0 ca-cp-cq-cq 1 0.765 180.000 2.000 same as ca-cp-cp-ca, penalty score=190.0 cq-cq-nb-ca 1 0.870 180.000 2.000 same as ca-ca-ne-c2, penalty score=709.0 IMPROPER c3-cd-cc-os 1.1 180.0 2.0 Using the default value ca-cc-cd-cd 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=273.2) c3-cd-cd-nc 1.1 180.0 2.0 Same as c2-c3-c2-n2, penalty score=256.0) ca-ca-ca-os 1.1 180.0 2.0 Using the default value ca-cp-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) ca-ca-cp-cp 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=327.0) ca-cp-cp-cq 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=336.6) cp-na-ca-nb 1.1 180.0 2.0 Using the default value ca-cp-ca-na 1.1 180.0 2.0 Using the default value cp-cq-cq-nb 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-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term)) ca-ca-ca-nb 1.1 180.0 2.0 Using the default value ca-cq-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) ca-ca-ca-cd 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score= 21.3) ca-ca-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0) c3-nb-ca-nb 1.1 180.0 2.0 Using the default value ca-ca-cq-cq 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=309.7) ca-ca-ca-cq 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score= 58.0) NONBON