remark goes here MASS ns 14.010 0.530 same as n BOND C -ns 694.27 1.211 c -N 208.72 1.530 c3-ns 328.70 1.462 same as c3-n ns-hn 403.20 1.013 same as hn-n ns-c 427.60 1.379 same as c -n ANGLE O -C -ns 122.66 121.220 C -ns-c3 66.335 129.570 C -ns-hn 55.165 113.600 CX-C -ns 88.133 117.960 c3-c -N 84.001 105.160 o -c -N 106.62 121.370 c -N -H 43.753 119.880 c -N -CX 60.293 127.760 c3-ns-hn 45.800 117.680 same as c3-n -hn c3-ns-c 63.390 120.690 same as c -n -c3 h1-c3-ns 49.840 108.880 same as h1-c3-n ns-c -o 74.220 123.050 same as n -c -o ns-c -c3 66.790 115.180 same as c3-c -n hn-ns-c 48.330 117.550 same as c -n -hn c -c3-ns 67.000 109.060 same as c -c3-n ns-c3-c3 65.910 111.610 same as c3-c3-n DIHE c3-ns-c -o 1 2.500 180.000 2.000 same as X -c -n -X c3-ns-c -c3 1 0.000 0.000 -2.000 same as c3-c -n -c3 c3-ns-c -c3 1 1.500 180.000 1.000 same as c3-c -n -c3 h1-c3-ns-hn 1 0.000 0.000 2.000 same as X -c3-n -X h1-c3-ns-c 1 0.000 0.000 2.000 same as X -c3-n -X hn-ns-c -o 1 2.500 180.000 -2.000 same as hn-n -c -o hn-ns-c -o 1 2.000 0.000 1.000 same as hn-n -c -o hn-ns-c -c3 1 2.500 180.000 2.000 same as X -c -n -X c -c3-ns-hn 1 0.000 0.000 2.000 same as X -c3-n -X c -c3-ns-c 1 0.850 180.000 -2.000 same as c -n -c3-c c -c3-ns-c 1 0.800 0.000 1.000 same as c -n -c3-c hn-ns-c3-c3 1 0.000 0.000 2.000 same as X -c3-n -X c -ns-c3-c3 1 0.500 180.000 -4.000 same as c3-c3-n -c c -ns-c3-c3 1 0.150 180.000 -3.000 same as c3-c3-n -c c -ns-c3-c3 1 0.000 0.000 -2.000 same as c3-c3-n -c c -ns-c3-c3 1 0.530 0.000 1.000 same as c3-c3-n -c O -C -ns-hn 1 2.500 180.000 -2.000 O -C -ns-c3 1 2.000 0.000 1.000 C -ns-c3-h1 1 0.000 0.000 2.000 C -ns-c3-c 1 0.850 180.000 -2.000 C -ns-c3-c3 1 0.500 180.000 -4.000 CX-C -ns-hn 1 0.000 0.000 2.000 CX-C -ns-c3 1 1.100 180.000 2.000 o -c -N -H 1 2.000 0.000 1.000 o -c -N -CX 1 2.500 180.000 2.000 c3-c -N -H 1 2.500 180.000 2.000 c3-c -N -CX 1 0.530 0.000 1.000 O -C -ns-c3 1 2.500 180.000 2.000 C -ns-c3-c3 1 0.500 180.000 -4.000 CX-C -ns-hn 1 1.100 180.000 2.000 CX-C -ns-hn 1 0.000 0.000 2.000 IMPROPER c -c3-ns-hn 1.1 180.0 2.0 Using default value c3-ns-c -o 10.5 180.0 2.0 General improper torsional angle (2 general atom types) NONBON ns 1.8240 0.1700 same as n