remark goes here MASS BOND ANGLE ce-ce-nh 70.640 120.720 same as ce-c2-nh nh-c3-cf 66.510 111.640 same as cf-c3-n3 c3-cf-ch 64.220 124.920 same as c1-c2-c3 ce-nh-c2 65.540 124.500 same as c2-nh-c2 cl-c2-c3 62.700 115.395 Calculated with empirical approach DIHE c2-c3-ce-c2 1 0.000 0.000 2.000 same as X -c2-c3-X c2-c3-ce-ce 1 0.000 0.000 2.000 same as X -c2-c3-X hc-c3-ce-c2 1 0.380 180.000 -3.000 same as hc-c3-c2-c2 hc-c3-ce-c2 1 1.150 0.000 1.000 same as hc-c3-c2-c2 hc-c3-ce-ce 1 0.000 0.000 2.000 same as X -c2-c3-X ce-ce-nh-hn 1 0.675 180.000 2.000 same as X -c2-nh-X ce-ce-nh-c2 1 0.675 180.000 2.000 same as X -c2-nh-X nh-c3-cf-ch 1 0.000 0.000 2.000 same as X -c2-c3-X nh-c3-cf-ce 1 0.000 0.000 2.000 same as X -c2-c3-X c3-cf-ch-n1 1 0.000 180.000 2.000 same as X -c1-cf-X h1-c3-cf-ch 1 0.000 0.000 2.000 same as X -c2-c3-X h1-c3-cf-ce 1 0.000 0.000 2.000 same as X -c2-c3-X cf-ce-nh-hn 1 0.675 180.000 2.000 same as X -c2-nh-X cf-ce-nh-c2 1 0.675 180.000 2.000 same as X -c2-nh-X n1-ch-cf-ce 1 0.000 180.000 2.000 same as X -c1-cf-X IMPROPER c2-c3-c2-os 1.1 180.0 2.0 Using default value c2-c3-ce-ce 1.1 180.0 2.0 Using default value c3-ce-c2-nh 1.1 180.0 2.0 Using default value c2-c3-nh-hn 1.1 180.0 2.0 Using default value c3-ce-cf-ch 1.1 180.0 2.0 Using default value ce-cf-ce-nh 1.1 180.0 2.0 Using default value c2-ce-nh-hn 1.1 180.0 2.0 Using default value c2-c3-c2-nh 1.1 180.0 2.0 Using default value c2-c3-c2-cl 1.1 180.0 2.0 Using default value NONBON