remark goes here MASS BOND ce-oh 425.40 1.333 same as c2-oh ce-h4 348.60 1.084 same as c2-h4 ANGLE ce-c3-c3 63.700 110.960 same as c2-c3-c3 c3-cf-ce 65.700 117.400 same as c3-c2-ce ce-ce-oh 71.600 122.280 same as c2-c2-oh ce-ce-h4 50.300 119.700 same as c2-c2-hc ce-oh-ho 49.900 108.980 same as c2-oh-ho oh-ce-h4 52.300 116.220 same as hc-c2-oh DIHE c3-c3-ce-c2 1 0.000 0.000 2.000 same as X -c2-c3-X c3-c3-ce-ce 1 0.000 0.000 2.000 same as X -c2-c3-X cf-cf-c3-hc 1 0.000 0.000 2.000 same as X -c2-c3-X ce-cf-c3-hc 1 0.000 0.000 2.000 same as X -c2-c3-X ce-ce-oh-ho 1 1.050 180.000 2.000 same as X -c2-oh-X h4-ce-oh-ho 1 1.050 180.000 2.000 same as X -c2-oh-X IMPROPER c2-c3-ce-ce 1.1 180.0 2.0 Using default value c3-c3-c2-ce 1.1 180.0 2.0 Using default value ce-cf-ce-ha 1.1 180.0 2.0 Using default value ce-cf-cf-ha 1.1 180.0 2.0 Using default value c3-ce-cf-cf 1.1 180.0 2.0 Using default value ce-h4-ce-oh 1.1 180.0 2.0 Using default value NONBON