Remark line goes here MASS BOND c3-ha 345.25 1.096 same as c3-hc, penalty score= 0.8 ANGLE c3-c3-ha 43.270 109.680 same as c3-c3-hc, penalty score= 1.2 c3-hc-c3 0.000 0.000 ATTN, need revision ha-c3-hc 35.800 107.730 same as hc-c3-hc, penalty score= 1.2 ha-c3-ha 35.800 107.730 same as hc-c3-hc, penalty score= 2.4 DIHE c3-c3-hc-c3 1 0.000 0.000 2.000 ATTN, need revision hc-c3-hc-c3 1 0.000 0.000 2.000 ATTN, need revision ha-c3-hc-c3 1 0.000 0.000 2.000 ATTN, need revision IMPROPER ca-ca-ca-oh 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) c2-c3-c2-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 47.1 (use general term)) c2-c3-c2-c3 1.1 180.0 2.0 Using the default value c2-ha-c2-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 47.1 (use general term)) NONBON