remark goes here MASS BOND ce-cc 390.50 1.451 same as ce-ce ANGLE cc-cc-ce 65.300 125.410 same as c2-cc-cc cd-ce-cc 69.800 121.810 same as c2-c2-c2 cd-ce-ca 64.186 118.335 Calculated with empirical approach cd-ce-ca 65.200 123.080 same as c2-ce-ca nd-cd-ce 71.300 126.010 same as c2-c2-n2 nd-cc-ce 71.300 126.010 same as c2-c2-n2 ce-cc-cd 69.100 117.020 same as c2-cc-cd ce-cc-na 70.300 124.550 same as c2-c2-n3 cc-ce-cc 69.800 121.810 same as c2-c2-c2 cc-ce-ca 63.774 119.870 Calculated with empirical approach DIHE cc-cc-ce-cc 1 1.000 180.000 2.000 same as X -ce-ce-X cc-cc-ce-cd 1 1.000 180.000 2.000 same as X -ce-ce-X cd-cd-ce-cc 1 1.000 180.000 2.000 same as X -ce-ce-X cd-cd-ce-ca 1 1.000 180.000 2.000 same as X -ce-ce-X cd-ce-cc-na 1 1.000 180.000 2.000 same as X -ce-ce-X cd-ce-cc-cd 1 1.000 180.000 2.000 same as X -ce-ce-X cd-ce-ca-ca 1 2.550 180.000 2.000 same as X -c2-ca-X nd-cd-ce-cc 1 1.000 180.000 2.000 same as X -ce-ce-X nd-cd-ce-ca 1 1.000 180.000 2.000 same as X -ce-ce-X nd-cc-ce-cc 1 1.000 180.000 2.000 same as X -ce-ce-X nd-cc-ce-cd 1 1.000 180.000 2.000 same as X -ce-ce-X cc-ce-cc-cd 1 1.000 180.000 2.000 same as X -ce-ce-X cc-ce-cc-na 1 1.000 180.000 2.000 same as X -ce-ce-X na-cc-ce-ca 1 1.000 180.000 2.000 same as X -ce-ce-X cd-cc-ce-ca 1 1.000 180.000 2.000 same as X -ce-ce-X cc-ce-ca-ca 1 2.550 180.000 2.000 same as X -c2-ca-X IMPROPER cc-cd-cc-ha 1.1 180.0 2.0 Using default value cc-cd-cd-ha 1.1 180.0 2.0 Using default value cd-ce-cd-nd 1.1 180.0 2.0 Using default value cc-cc-ce-cd 1.1 180.0 2.0 Using default value cc-ce-cc-nd 1.1 180.0 2.0 Using default value cd-ce-cc-na 1.1 180.0 2.0 Using default value cc-cc-na-hn 1.1 180.0 2.0 General improper torsional angle (2 general atom types) ca-cc-ce-cd 1.1 180.0 2.0 Using default value ca-ca-ca-ce 1.1 180.0 2.0 Using default value ca-ca-ca-ha 1.1 180.0 2.0 General improper torsional angle (2 general atom types) ca-h4-ca-na 1.1 180.0 2.0 Using default value cd-cd-cd-ce 1.1 180.0 2.0 Using default value cd-h4-cc-na 1.1 180.0 2.0 Using default value c3-cc-na-cc 1.1 180.0 2.0 Using default value NONBON