remark goes here MASS BOND cc-i 223.20 2.153 same as c2-i ANGLE cd-cc-i 56.300 121.030 same as c2-c2-i ca-cc-ca 63.800 117.930 same as ca-ce-ca i -cc-c 20.403 118.410 Calculated with empirical approach DIHE cd-cd-os-ca 1 1.050 180.000 2.000 same as X -c2-os-X cd-cc-ca-ca 1 2.550 180.000 2.000 same as X -c2-ca-X cc-cd-os-ca 1 1.050 180.000 2.000 same as X -c2-os-X ca-ca-cc-ca 1 2.550 180.000 2.000 same as X -c2-ca-X IMPROPER c -cd-cc-i 1.1 180.0 2.0 Using default value cc-cd-cd-ha 1.1 180.0 2.0 Using default value cc-cd-cd-cd 1.1 180.0 2.0 Using default value cc-cd-cd-os 1.1 180.0 2.0 Using default value ca-ca-cc-cd 1.1 180.0 2.0 Using default value ca-ca-ca-os 1.1 180.0 2.0 Using default value ca-ca-ca-cc 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-ca-ca-oh 1.1 180.0 2.0 Using default value cc-cc-c -o 10.5 180.0 2.0 General improper torsional angle (2 general atom types) c -ca-ca-ca 1.1 180.0 2.0 Using default value ca-o -c -oh 10.5 180.0 2.0 General improper torsional angle (2 general atom types) NONBON