remark goes here MASS O 16.000 0.434 same as o P 30.970 1.538 same as p4 H 1.008 0.161 same as hn C 12.010 0.616 same as c N 14.010 0.530 same as n BOND O -P 456.40 1.503 same as o -p4 O -H 0.00 0.000 ATTN, need revision O -C 648.00 1.214 same as c -o C -H 0.00 0.000 ATTN, need revision C -C 290.10 1.550 same as c -c C -N 478.20 1.345 same as c -n N -H 410.20 1.009 same as hn-n ANGLE O -P -O 72.010 117.220 same as o -p4-o P -O -P 0.000 0.000 ATTN, need revision O -C -C 67.160 120.990 same as c -c -o O -C -H 0.000 0.000 ATTN, need revision H -O -C 0.000 0.000 ATTN, need revision C -C -H 0.000 0.000 ATTN, need revision C -C -C 62.300 111.680 same as c -c -c C -O -C 0.000 0.000 ATTN, need revision C -N -C 65.330 127.140 same as c -n -c H -C -N 0.000 0.000 ATTN, need revision C -C -N 67.530 112.140 same as c -c -n H -C -H 0.000 0.000 ATTN, need revision O -C -N 75.830 122.030 same as n -c -o N -C -N 74.800 113.380 same as n -c -n H -N -H 39.730 117.850 same as hn-n -hn H -N -C 48.395 122.495 Calculated with empirical approach DIHE O -P -O -P 1 0.000 0.000 0.000 ATTN, need revision O -C -C -C 1 0.300 180.000 2.000 same as X -c -c -X O -C -C -H 1 0.300 180.000 2.000 same as X -c -c -X O -C -C -O 1 0.300 180.000 2.000 same as X -c -c -X H -O -C -C 1 0.000 0.000 0.000 ATTN, need revision H -O -C -H 1 0.000 0.000 0.000 ATTN, need revision C -C -C -H 1 0.300 180.000 2.000 same as X -c -c -X C -C -C -C 1 0.300 180.000 2.000 same as X -c -c -X C -O -C -C 1 0.000 0.000 0.000 ATTN, need revision C -O -C -H 1 0.000 0.000 0.000 ATTN, need revision C -N -C -N 1 2.500 180.000 2.000 same as X -c -n -X C -N -C -H 1 2.500 180.000 2.000 same as X -c -n -X C -N -C -C 1 2.500 180.000 2.000 same as X -c -n -X H -C -C -H 1 0.300 180.000 2.000 same as X -c -c -X H -C -C -N 1 0.300 180.000 2.000 same as X -c -c -X C -C -C -N 1 0.300 180.000 2.000 same as X -c -c -X C -O -C -N 1 0.000 0.000 0.000 ATTN, need revision O -C -N -C 1 2.500 180.000 2.000 same as X -c -n -X O -C -C -N 1 0.300 180.000 2.000 same as X -c -c -X N -C -C -N 1 0.300 180.000 2.000 same as X -c -c -X H -N -C -C 1 2.500 180.000 2.000 same as X -c -n -X H -N -C -N 1 2.500 180.000 2.000 same as X -c -n -X IMPROPER C -H -C -O 1.1 180.0 2.0 Using default value C -C -C -H 1.1 180.0 2.0 Using default value C -H -C -H 1.1 180.0 2.0 Using default value C -H -N -H 1.1 180.0 2.0 Using default value C -N -C -N 1.1 180.0 2.0 Using default value C -C -C -N 1.1 180.0 2.0 Using default value H -N -C -N 1.1 180.0 2.0 Using default value C -C -N -C 1.1 180.0 2.0 Using default value NONBON O 1.6612 0.2100 same as o P 2.1000 0.2000 same as p4 H 0.6000 0.0157 same as hn C 1.9080 0.0860 same as c N 1.8240 0.1700 same as n