1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
|
# Dih PK Phase PN Atom1 Atom2 Atom3 Atom4 A1 A2 A3 A4 T1 T2 T3 T4
15 0.156 0.00 3.0 :1@H3 :1@N :1@CA :1@HA 4 1 5 6 H N3 CT HP
16 0.156 0.00 3.0 :1@H3 :1@N :1@CA :1@CB 4 1 5 7 H N3 CT CT
17 0.156 0.00 3.0 :1@H3 :1@N :1@CA :1@C 4 1 5 12 H N3 CT C
18 0.156 0.00 3.0 :1@H2 :1@N :1@CA :1@HA 3 1 5 6 H N3 CT HP
19 0.156 0.00 3.0 :1@H2 :1@N :1@CA :1@CB 3 1 5 7 H N3 CT CT
20 0.156 0.00 3.0 :1@H2 :1@N :1@CA :1@C 3 1 5 12 H N3 CT C
21 0.156 0.00 3.0 :1@H1 :1@N :1@CA :1@HA 2 1 5 6 H N3 CT HP
22 0.156 0.00 3.0 :1@H1 :1@N :1@CA :1@CB 2 1 5 7 H N3 CT CT
23 0.156 0.00 3.0 :1@H1 :1@N :1@CA :1@C 2 1 5 12 H N3 CT C
24 0.156 0.00 3.0 :1@N :1@CA :1@CB :1@HB2 1 5 7 8 N3 CT CT H1
25 0.156 0.00 3.0 :1@N :1@CA :1@CB :1@HB3 1 5 7 9 N3 CT CT H1
454 0.156 0.00 3.0 :1@N :1@CA :1@CB :1@OG 1 5 7 10 N3 CT CT OH
455 0.000 0.00 2.0 :1@N :1@CA :1@C :1@O 1 5 12 13 N3 CT C O
456 0.000 0.00 2.0 :1@N :1@CA :1@C :2@N 1 5 12 14 N3 CT C N
# Dih PK Phase PN Atom1 Atom2 Atom3 Atom4 A1 A2 A3 A4 T1 T2 T3 T4
24 0.156 0.00 3.0 :1@N :1@CA :1@CB :1@HB2 1 5 7 8 N3 CT CT H1
25 0.156 0.00 3.0 :1@N :1@CA :1@CB :1@HB3 1 5 7 9 N3 CT CT H1
91 0.156 0.00 3.0 :3@N :3@CA :3@CB :3@HB 38 40 42 43 N CT CT H1
312 0.156 0.00 3.0 :10@N :10@CA :10@CB :10@HB 158 160 162 163 N CT CT H1
|