Remark line goes here MASS C 12.010 0.616 same as c H 1.008 0.161 same as hn O 16.000 0.434 same as o BOND C -C 291.70 1.548 same as c- c, penalty score= 0.0 C -O 637.70 1.218 same as c- o, penalty score= 0.0 C -H 0.00 0.000 ATTN, need revision H -O 357.90 0.981 same as ho- o, penalty score= 25.0 ANGLE C -C -C 62.400 111.680 same as c -c -c , penalty score= 0.0 C -C -H 0.000 0.000 ATTN, need revision C -O -H 0.000 0.000 ATTN, need revision C -C -O 67.200 120.850 same as c -c -o , penalty score= 0.0 C -O -C 0.000 0.000 ATTN, need revision DIHE C -C -C -C 4 1.200 180.000 2.000 same as X -c -c -X , penalty score= 0.0 C -C -C -O 4 1.200 180.000 2.000 same as X -c -c -X , penalty score= 0.0 C -C -C -H 4 1.200 180.000 2.000 same as X -c -c -X , penalty score= 0.0 C -C -O -H 1 0.000 0.000 0.000 ATTN, need revision C -C -O -C 1 0.000 0.000 0.000 ATTN, need revision H -C -C -O 4 1.200 180.000 2.000 same as X -c -c -X , penalty score= 0.0 O -C -C -O 4 1.200 180.000 2.000 same as X -c -c -X , penalty score= 0.0 H -C -C -H 4 1.200 180.000 2.000 same as X -c -c -X , penalty score= 0.0 IMPROPER C -C -C -O 10.5 180.0 2.0 Same as X -X -c -o , penalty score= 6.0 (use general term)) C -C -C -H 1.1 180.0 2.0 Using the default value C -C -C -C 1.1 180.0 2.0 Using the default value NONBON C 1.9080 0.0860 same as c H 0.6000 0.0157 same as hn O 1.6612 0.2100 same as o