remark goes here MASS BOND nh-cd 385.50 1.410 same as c2-nh ANGLE o -n4-os 69.816 112.730 Calculated with empirical approach n4-os-p5 61.642 117.580 Calculated with empirical approach p5-os-c1 58.615 117.750 Calculated with empirical approach os-c1-ca 0.000 0.000 ATTN, need revision c1-ca-c 63.277 120.000 Calculated with empirical approach c1-ca-os 68.497 116.865 Calculated with empirical approach c -ca-os 66.169 116.865 Calculated with empirical approach ca-os-p5 58.476 120.705 Calculated with empirical approach os-ca-nh 72.069 117.355 Calculated with empirical approach ca-nh-cd 64.200 120.000 same as c2-nh-c2 nh-c1-n2 0.000 0.000 ATTN, need revision nh-cd-cd 0.000 0.000 ATTN, need revision nh-cd-n2 71.564 116.060 Calculated with empirical approach c1-nh-cd 65.393 118.495 Calculated with empirical approach c1-n2-cd 67.701 119.640 Calculated with empirical approach n2-cd-cd 70.000 117.190 same as c2-cd-n2 cd-cd-cd 65.000 123.470 same as c2-cd-cd n2-cd-n2 74.600 123.850 same as n2-c2-n2 n2-c1-n2 0.000 0.000 ATTN, need revision cd-nh-cd 64.200 120.000 same as c2-nh-c2 cd-n2-cd 70.700 118.180 same as c2-n2-c2 DIHE ca-nh-cd-cd 1 0.675 180.000 2.000 same as X -c2-nh-X ca-nh-cd-n2 1 0.675 180.000 2.000 same as X -c2-nh-X nh-cd-n2-c1 1 4.150 180.000 2.000 same as X -c2-n2-X nh-cd-n2-cd 1 4.150 180.000 2.000 same as X -c2-n2-X c1-nh-cd-cd 1 0.675 180.000 2.000 same as X -c2-nh-X c1-nh-cd-n2 1 0.675 180.000 2.000 same as X -c2-nh-X c1-n2-cd-cd 1 4.150 180.000 2.000 same as X -c2-n2-X cd-cd-nh-cd 1 0.675 180.000 2.000 same as X -c2-nh-X cd-cd-n2-cd 1 4.150 180.000 2.000 same as X -c2-n2-X n2-cd-n2-c1 1 4.150 180.000 2.000 same as X -c2-n2-X n2-cd-nh-cd 1 0.675 180.000 2.000 same as X -c2-nh-X IMPROPER c1-c -ca-os 1.1 180.0 2.0 Using default value c -ca-ca-os 1.1 180.0 2.0 Using default value ca-nh-ca-os 1.1 180.0 2.0 Using default value c1-ca-nh-cd 1.1 180.0 2.0 Using default value cd-cd-cd-n2 1.1 180.0 2.0 Using default value n2-cd-cd-n2 1.1 180.0 2.0 Using default value cd-n2-cd-nh 1.1 180.0 2.0 Using default value o -o -o -o 1.1 180.0 2.0 Using default value NONBON