remark goes here MASS C 12.010 0.616 same as c H 1.008 0.161 same as hn N 14.010 0.530 same as n O 16.000 0.434 same as o BOND C -C 290.10 1.550 same as c -c C -H 0.00 0.000 ATTN, need revision 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 O -H 0.00 0.000 ATTN, need revision ANGLE C -C -C 62.300 111.680 same as c -c -c C -C -H 0.000 0.000 ATTN, need revision H -C -H 0.000 0.000 ATTN, need revision C -C -O 67.160 120.990 same as c -c -o C -O -H 0.000 0.000 ATTN, need revision H -C -O 0.000 0.000 ATTN, need revision C -C -N 67.530 112.140 same as c -c -n C -N -C 65.330 127.140 same as c -n -c C -N -H 49.210 118.460 same as c -n -hn H -C -N 0.000 0.000 ATTN, need revision H -N -H 39.730 117.850 same as hn-n -hn DIHE C -C -C -C 1 0.300 180.000 2.000 same as X -c -c -X C -C -C -H 1 0.300 180.000 2.000 same as X -c -c -X H -C -C -H 1 0.300 180.000 2.000 same as X -c -c -X C -C -C -O 1 0.300 180.000 2.000 same as X -c -c -X C -C -O -H 1 0.000 0.000 0.000 ATTN, need revision H -C -C -O 1 0.300 180.000 2.000 same as X -c -c -X H -C -O -H 1 0.000 0.000 0.000 ATTN, need revision C -C -C -N 1 0.300 180.000 2.000 same as X -c -c -X C -C -N -C 1 2.500 180.000 2.000 same as X -c -n -X C -C -N -H 1 2.500 180.000 2.000 same as X -c -n -X H -C -C -N 1 0.300 180.000 2.000 same as X -c -c -X H -C -N -C 1 2.500 180.000 2.000 same as X -c -n -X H -C -N -H 1 2.500 180.000 2.000 same as X -c -n -X N -C -C -N 1 0.300 180.000 2.000 same as X -c -c -X IMPROPER C -C -C -C 1.1 180.0 2.0 Using default value C -H -C -H 1.1 180.0 2.0 Using default value C -C -C -H 1.1 180.0 2.0 Using default value C -C -N -H 1.1 180.0 2.0 Using default value NONBON C 1.9080 0.0860 same as c H 0.6000 0.0157 same as hn N 1.8240 0.1700 same as n O 1.6612 0.2100 same as o