remark goes here MASS n7 14.010 0.530 same as n3 ns 14.010 0.530 same as n BOND c3-n7 325.90 1.465 same as c3-n3 n7-hn 392.40 1.019 same as hn-n3 c3-ns 328.70 1.462 same as c3-n ns-c 427.60 1.379 same as c -n ns-hn 403.20 1.013 same as hn-n C -ns 372.304 1.422 c -N 282.464 1.512 ANGLE c3-c3-n7 66.020 111.040 same as c3-c3-n3 c3-n7-hn 47.420 109.290 same as c3-n3-hn c3-n7-c3 63.820 112.350 same as c3-n3-c3 h1-c3-n7 49.530 109.880 same as h1-c3-n3 c3-c3-ns 65.910 111.610 same as c3-c3-n c3-ns-c 63.390 120.690 same as c -n -c3 c3-ns-hn 45.800 117.680 same as c3-n -hn c3-c -ns 66.790 115.180 same as c3-c -n h1-c3-ns 49.840 108.880 same as h1-c3-n ns-c3-c 67.000 109.060 same as c -c3-n ns-c -o 74.220 123.050 same as n -c -o c -ns-hn 48.330 117.550 same as c -n -hn CX-C -ns 68.543 121.530 o -c -N 81.645 120.930 c -N -CT 62.307 137.450 c -N -CX 68.788 119.900 c3-c -N 68.543 121.530 O -C -ns 81.645 120.930 C -ns-c3 68.788 119.900 C -ns-hn 54.751 114.310 c -N -H 68.788 119.900 DIHE c3-c3-n7-hn 1 0.300 0.000 3.000 same as X -c3-n3-X c3-c3-n7-c3 1 0.300 0.000 -3.000 same as c3-c3-n3-c3 c3-c3-n7-c3 1 0.480 180.000 2.000 same as c3-c3-n3-c3 c3-n7-c3-h1 1 0.300 0.000 3.000 same as X -c3-n3-X h1-c3-n7-hn 1 0.300 0.000 3.000 same as X -c3-n3-X c3-c3-ns-c 1 0.500 180.000 -4.000 same as c3-c3-n -c c3-c3-ns-c 1 0.150 180.000 -3.000 same as c3-c3-n -c c3-c3-ns-c 1 0.000 0.000 -2.000 same as c3-c3-n -c c3-c3-ns-c 1 0.530 0.000 1.000 same as c3-c3-n -c c3-c3-ns-hn 1 0.000 0.000 2.000 same as X -c3-n -X 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 c3-c -ns-hn 1 2.500 180.000 2.000 same as X -c -n -X h1-c3-ns-c 1 0.000 0.000 2.000 same as X -c3-n -X h1-c3-ns-hn 1 0.000 0.000 2.000 same as X -c3-n -X c -ns-c3-c 1 0.850 180.000 -2.000 same as c -n -c3-c c -ns-c3-c 1 0.800 0.000 1.000 same as c -n -c3-c o -c -ns-hn 1 2.500 180.000 -2.000 same as hn-n -c -o o -c -ns-hn 1 2.000 0.000 1.000 same as hn-n -c -o hn-ns-c3-c 1 0.000 0.000 2.000 same as X -c3-n -X X -C -ns-X 1 0.000 0.0 -4. phi' X -C -ns-X 1 0.800 0.0 -3. X -ns-c3-X 1 0.850 180.000 -2.000 X -ns-c3-X 1 0.800 0.000 1.000 X -ns-c3-X 1 0.800 0.000 1.000 X -C -ns-X 1 1.800 0.0 -2. X -C -ns-X 1 2.000 0.0 1. X -c -N -X 1 0.000 0.0 -4. phi' X -c -N -X 1 0.800 0.0 -3. X -c -N -X 1 1.800 0.0 -2. X -c -N -X 1 2.000 0.0 1. 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) C*-CN-CB-CA 1.1 180.0 2.0 NA-CA-CN-CB 1.1 180.0 2.0 NONBON n7 1.8240 0.1700 same as n3 ns 1.8240 0.1700 same as n