Remark line goes here MASS BOND ANGLE cx-c3-nh 66.390 110.450 same as c3-c3-nh, penalty score= 8.0 DIHE nh-c3-cx-cx 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 92.0 nh-c3-cx-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 92.0 h1-c3-cx-cx 1 0.160 0.000 3.000 same as hc-c3-c3-c3, penalty score=266.0 h1-c3-cx-hc 1 0.150 0.000 3.000 same as hc-c3-c3-hc, penalty score=179.0 IMPROPER c3-c3-nh-ca 1.1 180.0 2.0 Using the default value ca-ca-ca-nh 1.1 180.0 2.0 Using the default value ca-ca-ca-no 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) NONBON