3RM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.39Å	1.40Å	Aromatic
N1	C8	sing	1.47Å	1.52Å
N1	C9	sing	1.47Å	1.52Å
N1	C12	sing	1.47Å	1.52Å
O1	C6	sing	1.36Å	1.36Å
O1	C7	sing	1.43Å	1.43Å
BR1	C3	sing	1.89Å	1.89Å
C2	C3	sing	1.38Å	1.39Å	Aromatic
N2	C10	sing	1.47Å	1.47Å
N2	C11	sing	1.47Å	1.47Å
N2	C13	sing	1.39Å	1.36Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
N3	N4	sing	1.40Å	1.34Å	Aromatic
N3	C13	doub	1.31Å	1.37Å	Aromatic
C4	C5	sing	1.38Å	1.40Å	Aromatic
N4	C14	doub	1.31Å	1.33Å	Aromatic
C5	C6	doub	1.39Å	1.40Å	Aromatic
N5	C13	sing	1.37Å	1.32Å	Aromatic
N5	C14	sing	1.37Å	1.37Å	Aromatic
N6	C14	sing	1.39Å	1.35Å
C7	C8	sing	1.53Å	1.51Å
C9	C10	sing	1.53Å	1.52Å
C11	C12	sing	1.53Å	1.53Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
N5	HN5	sing	0.97Å	1.00Å
N6	HN6	sing	0.97Å	1.00Å
N6	HN6A	sing	0.97Å	1.00Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.1°	120.0°
C1	C2	C3	119.5°	120.1°
C2	C1	H1	119.9°	120.0°
C1	C2	H2	120.3°	120.0°
C1	C6	O1	124.4°	120.0°
C1	C6	C5	120.4°	119.9°
C6	C1	H1	120.0°	120.0°
C8	N1	C9	112.9°	111.0°
C8	N1	C12	108.0°	111.0°
N1	C8	C7	112.2°	109.5°
N1	C8	H8	108.6°	109.5°
N1	C8	H8A	108.6°	109.5°
C9	N1	C12	110.7°	110.9°
N1	C9	C10	108.6°	109.4°
N1	C9	H9	109.8°	109.4°
N1	C9	H9A	109.8°	109.5°
N1	C12	C11	110.7°	109.4°
N1	C12	H12	109.1°	109.5°
N1	C12	H12A	109.1°	109.6°
C6	O1	C7	114.9°	117.0°
O1	C6	C5	115.2°	120.0°
O1	C7	C8	107.0°	109.4°
O1	C7	H7	110.3°	109.5°
O1	C7	H7A	110.3°	109.4°
BR1	C3	C2	117.6°	120.0°
BR1	C3	C4	121.4°	120.0°
C2	C3	C4	121.0°	120.1°
C3	C2	H2	120.2°	120.0°
C10	N2	C11	115.5°	110.9°
C10	N2	C13	114.1°	111.0°
N2	C10	C9	111.2°	109.3°
N2	C10	H10	108.9°	109.5°
N2	C10	H10A	108.9°	109.5°
C11	N2	C13	121.3°	111.0°
N2	C11	C12	110.6°	109.4°
N2	C11	H11	109.1°	109.5°
N2	C11	H11A	109.1°	109.5°
N2	C13	N3	123.4°	126.0°
N2	C13	N5	129.0°	126.0°
C3	C4	C5	119.4°	120.1°
C3	C4	H4	120.3°	119.9°
N4	N3	C13	111.3°	108.0°
N3	N4	C14	102.8°	108.0°
N3	C13	N5	107.6°	108.0°
C4	C5	C6	119.5°	119.9°
C5	C4	H4	120.3°	120.0°
C4	C5	H5	120.2°	120.1°
N4	C14	N5	113.1°	108.0°
N4	C14	N6	127.7°	126.0°
C6	C5	H5	120.3°	120.0°
C13	N5	C14	105.2°	108.0°
C13	N5	HN5	127.4°	126.0°
N5	C14	N6	119.2°	126.0°
C14	N5	HN5	127.4°	126.0°
C14	N6	HN6	109.5°	120.0°
C14	N6	HN6A	109.5°	120.0°
C8	C7	H7	110.3°	109.5°
C8	C7	H7A	110.3°	109.5°
C7	C8	H8	108.6°	109.5°
C7	C8	H8A	108.6°	109.4°
C10	C9	H9	109.8°	109.5°
C10	C9	H9A	109.8°	109.5°
C9	C10	H10	108.9°	109.5°
C9	C10	H10A	108.9°	109.5°
C12	C11	H11	109.1°	109.5°
C12	C11	H11A	109.1°	109.5°
C11	C12	H12	109.1°	109.4°
C11	C12	H12A	109.1°	109.4°
HN6	N6	HN6A	109.5°	120.0°
H7	C7	H7A	108.6°	109.5°
H8	C8	H8A	110.4°	109.4°
H9	C9	H9A	109.2°	109.5°
H10	C10	H10A	110.0°	109.5°
H11	C11	H11A	109.8°	109.5°
H12	C12	H12A	109.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.7°
C2	C1	C6	O1	179.5°	180.0°
C1	C2	C3	BR1	179.2°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.5°	0.0°
C2	C1	C6	C5	0.8°	0.0°
C1	C6	O1	C5	178.8°	180.0°
C1	C6	O1	C7	54.3°	180.0°
C6	C1	C2	C3	0.1°	0.0°
C1	C6	C5	C4	0.8°	0.0°
C6	C1	C2	H2	179.9°	180.0°
C1	C6	C5	H5	179.2°	180.0°
C8	N1	C9	C12	121.2°	123.9°
N1	C8	C7	O1	44.2°	64.8°
N1	C8	C7	H8	120.0°	120.1°
N1	C8	C7	H8A	120.0°	120.0°
C8	N1	C9	C10	179.7°	176.8°
C8	N1	C12	C11	178.1°	176.8°
N1	C8	C7	H7	75.8°	55.2°
N1	C8	C7	H7A	164.2°	175.3°
N1	C8	H8	H8A	118.9°	120.0°
C8	N1	C9	H9	59.7°	56.8°
C8	N1	C9	H9A	60.3°	63.2°
C8	N1	C12	H12	61.9°	63.3°
C8	N1	C12	H12A	58.1°	56.8°
N1	C9	C10	N2	56.3°	58.4°
C9	N1	C8	C7	67.9°	75.7°
N1	C9	C10	H9	120.0°	119.9°
N1	C9	C10	H9A	120.0°	120.0°
C9	N1	C12	C11	57.8°	59.3°
C9	N1	C8	H8	172.1°	164.2°
C9	N1	C8	H8A	52.0°	44.2°
N1	C9	H9	H9A	120.4°	120.0°
N1	C9	C10	H10	176.3°	178.4°
N1	C9	C10	H10A	63.7°	61.5°
C9	N1	C12	H12	62.2°	60.6°
C9	N1	C12	H12A	177.8°	179.3°
N1	C12	C11	N2	52.3°	58.4°
C12	N1	C8	C7	169.3°	160.5°
C12	N1	C9	C10	59.1°	59.4°
N1	C12	C11	H12	120.0°	120.0°
N1	C12	C11	H12A	120.0°	120.0°
C12	N1	C8	H8	49.3°	40.4°
C12	N1	C8	H8A	70.7°	79.6°
C12	N1	C9	H9	179.1°	179.3°
C12	N1	C9	H9A	60.9°	60.7°
N1	C12	C11	H11	67.7°	61.6°
N1	C12	C11	H11A	172.3°	178.4°
N1	C12	H12	H12A	119.5°	120.1°
O1	C6	C5	C4	179.7°	180.0°
C6	O1	C7	C8	172.7°	180.0°
O1	C6	C1	H1	0.5°	0.3°
O1	C6	C5	H5	0.3°	0.0°
C6	O1	C7	H7	52.7°	60.0°
C6	O1	C7	H7A	67.3°	60.0°
C7	O1	C6	C5	124.6°	0.0°
O1	C7	C8	H7	120.0°	120.0°
O1	C7	C8	H7A	120.0°	120.0°
O1	C7	H7	H7A	121.0°	120.0°
O1	C7	C8	H8	75.8°	55.3°
O1	C7	C8	H8A	164.2°	175.2°
BR1	C3	C2	C4	178.7°	180.0°
BR1	C3	C4	C5	179.1°	180.0°
BR1	C3	C2	H2	0.8°	0.0°
BR1	C3	C4	H4	0.9°	0.1°
C2	C3	C4	C5	0.5°	0.0°
C3	C2	C1	H1	179.9°	179.8°
C2	C3	C4	H4	179.5°	179.9°
C10	N2	C11	C13	145.1°	123.9°
C10	N2	C13	N3	137.3°	0.0°
C10	N2	C13	N5	41.5°	179.9°
N2	C10	C9	H10	120.0°	119.9°
N2	C10	C9	H10A	120.0°	120.0°
C10	N2	C11	C12	51.9°	59.3°
N2	C10	C9	H9	176.3°	178.3°
N2	C10	C9	H9A	63.7°	61.5°
N2	C10	H10	H10A	119.3°	120.0°
C10	N2	C11	H11	68.1°	60.7°
C10	N2	C11	H11A	171.9°	179.3°
C11	N2	C13	N3	8.3°	123.8°
C11	N2	C13	N5	173.0°	56.1°
C11	N2	C10	C9	54.7°	59.3°
N2	C11	C12	H11	120.0°	119.9°
N2	C11	C12	H11A	120.0°	120.0°
C11	N2	C10	H10	174.7°	179.3°
C11	N2	C10	H10A	65.3°	60.7°
N2	C11	H11	H11A	119.6°	120.0°
N2	C11	C12	H12	67.7°	61.6°
N2	C11	C12	H12A	172.3°	178.4°
N2	C13	N3	N4	179.6°	180.0°
N2	C13	N3	N5	179.0°	180.0°
N2	C13	N5	C14	179.0°	180.0°
C13	N2	C10	C9	157.7°	176.8°
C13	N2	C11	C12	163.0°	176.8°
N2	C13	N5	HN5	1.0°	0.1°
C13	N2	C10	H10	37.7°	56.8°
C13	N2	C10	H10A	82.3°	63.2°
C13	N2	C11	H11	77.0°	63.2°
C13	N2	C11	H11A	43.0°	56.8°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.0°
C4	C3	C2	H2	179.5°	180.0°
C3	C4	C5	H5	179.8°	180.0°
N4	N3	C13	N5	0.7°	0.0°
N3	N4	C14	N5	0.8°	0.0°
N3	N4	C14	N6	180.0°	180.0°
C13	N3	N4	C14	0.9°	0.0°
N3	C13	N5	C14	0.1°	0.0°
N3	C13	N5	HN5	179.8°	179.9°
C4	C5	C6	H5	180.0°	180.0°
N4	C14	N5	C13	0.4°	0.0°
N4	C14	N5	N6	179.3°	180.0°
N4	C14	N5	HN5	179.6°	179.9°
N4	C14	N6	HN6	0.0°	0.0°
N4	C14	N6	HN6A	120.0°	180.0°
C5	C6	C1	H1	179.2°	179.7°
C6	C5	C4	H4	179.8°	179.9°
C13	N5	C14	HN5	180.0°	179.9°
C13	N5	C14	N6	179.7°	180.0°
N5	C14	N6	HN6	179.2°	180.0°
N5	C14	N6	HN6A	60.8°	0.0°
N6	C14	N5	HN5	0.3°	0.1°
C14	N6	HN6	HN6A	120.0°	180.0°
C8	C7	H7	H7A	121.0°	120.1°
C7	C8	H8	H8A	118.9°	119.9°
C10	C9	H9	H9A	120.4°	120.1°
C9	C10	H10	H10A	119.3°	120.1°
C12	C11	H11	H11A	119.5°	120.1°
C11	C12	H12	H12A	119.5°	120.0°
H1	C1	C2	H2	0.1°	0.3°
H4	C4	C5	H5	0.2°	0.0°
H7	C7	C8	H8	164.2°	175.3°
H7	C7	C8	H8A	44.2°	64.8°
H7A	C7	C8	H8	44.2°	64.7°
H7A	C7	C8	H8A	75.9°	55.3°
H9	C9	C10	H10	63.7°	61.7°
H9	C9	C10	H10A	56.2°	58.4°
H9A	C9	C10	H10	56.3°	58.4°
H9A	C9	C10	H10A	176.3°	178.5°
H11	C11	C12	H12	172.3°	178.4°
H11	C11	C12	H12A	52.3°	58.5°
H11A	C11	C12	H12	52.3°	58.4°
H11A	C11	C12	H12A	67.7°	61.6°

Definition date:	2011-07-19
Last modified:	2011-08-19
Release status:	REL
Processing site:	RCSB
Derived from:	3RM4