remark goes here MASS O2 16.000 0.434 same as o C 12.010 0.616 same as c CT 12.010 0.878 same as c3 HC 1.008 0.135 same as hc O 16.000 0.434 same as o N 14.010 0.530 same as n H 1.008 0.161 same as hn H1 1.008 0.135 same as hc BOND O2-C 648.00 1.214 same as c -o C -CT 328.30 1.508 same as c -c3 CT-HC 337.30 1.092 same as c3-hc CT-CT 303.10 1.535 same as c3-c3 C -O 648.00 1.214 same as c -o C -N 478.20 1.345 same as c -n N -H 410.20 1.009 same as hn-n N -CT 330.60 1.460 same as c3-n CT-H1 337.30 1.092 same as c3-hc ANGLE O2-C -O2 79.100 127.330 same as o -c -o O2-C -CT 68.000 123.110 same as c3-c -o C -CT-HC 47.200 109.680 same as c -c3-hc C -CT-CT 63.800 110.530 same as c -c3-c3 CT-CT-HC 46.400 110.050 same as c3-c3-hc HC-CT-HC 39.400 108.350 same as hc-c3-hc CT-C -O 68.000 123.110 same as c3-c -o CT-C -N 67.900 115.150 same as c3-c -n C -N -H 49.200 118.460 same as c -n -hn C -N -CT 63.900 121.350 same as c -n -c3 O -C -N 75.800 122.030 same as n -c -o N -CT-H1 49.800 109.500 same as hc-c3-n H -N -CT 46.000 116.780 same as c3-n -hn H1-CT-H1 39.400 108.350 same as hc-c3-hc DIHE O2-C -CT-HC 1 0.000 180.000 2.000 same as X -c -c3-X O2-C -CT-CT 1 0.000 180.000 2.000 same as X -c -c3-X C -CT-CT-HC 1 0.156 0.000 3.000 same as X -c3-c3-X C -CT-CT-C 1 0.156 0.000 3.000 same as X -c3-c3-X CT-CT-C -O 1 0.000 180.000 2.000 same as X -c -c3-X CT-CT-C -N 1 0.000 180.000 2.000 same as X -c -c3-X HC-CT-CT-HC 1 0.156 0.000 3.000 same as X -c3-c3-X CT-C -N -H 1 2.500 180.000 2.000 same as X -c -n -X CT-C -N -CT 1 2.500 180.000 2.000 same as X -c -n -X HC-CT-C -O 1 0.000 180.000 2.000 same as X -c -c3-X HC-CT-C -N 1 0.000 180.000 2.000 same as X -c -c3-X C -N -CT-H1 1 0.000 0.000 2.000 same as X -c3-n -X O -C -N -H 1 2.500 180.000 2.000 same as X -c -n -X O -C -N -CT 1 2.500 180.000 2.000 same as X -c -n -X H -N -CT-H1 1 0.000 0.000 2.000 same as X -c3-n -X IMPROPER NONBON O2 1.6612 0.2100 same as o C 1.9080 0.0860 same as c CT 1.9080 0.1094 same as c3 HC 1.4870 0.0157 same as hc O 1.6612 0.2100 same as o N 1.8240 0.1700 same as n H 0.6000 0.0157 same as hn H1 1.4870 0.0157 same as hc