B6J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N19	C14	sing	1.38Å	1.37Å
N15	C14	doub	1.33Å	1.34Å	Aromatic
N15	C16	sing	1.33Å	1.33Å	Aromatic
C14	C12	sing	1.46Å	1.48Å	Aromatic
N18	C16	sing	1.38Å	1.38Å
C16	N17	doub	1.32Å	1.33Å	Aromatic
O7	C5	sing	1.36Å	1.37Å
C12	N13	sing	1.33Å	1.34Å	Aromatic
C12	C11	doub	1.42Å	1.43Å	Aromatic
N13	C8	doub	1.32Å	1.34Å	Aromatic
N17	C11	sing	1.34Å	1.36Å	Aromatic
C4	C5	doub	1.38Å	1.41Å	Aromatic
C4	C3	sing	1.39Å	1.41Å	Aromatic
C5	C6	sing	1.39Å	1.40Å	Aromatic
C11	N10	sing	1.33Å	1.35Å	Aromatic
C8	C3	sing	1.48Å	1.50Å
C8	C9	sing	1.41Å	1.44Å	Aromatic
C3	C2	doub	1.39Å	1.41Å	Aromatic
N10	C9	doub	1.32Å	1.33Å	Aromatic
C6	C1	doub	1.38Å	1.39Å	Aromatic
C9	C20	sing	1.48Å	1.49Å
C2	C1	sing	1.38Å	1.39Å	Aromatic
C20	C21	doub	1.39Å	1.42Å	Aromatic
C20	C25	sing	1.39Å	1.40Å	Aromatic
C21	C22	sing	1.38Å	1.40Å	Aromatic
C22	C23	doub	1.38Å	1.39Å	Aromatic
C25	C24	doub	1.38Å	1.40Å	Aromatic
C23	C24	sing	1.39Å	1.41Å	Aromatic
C24	O26	sing	1.36Å	1.36Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.08Å	1.08Å
C2	H4	sing	1.08Å	1.08Å
O7	H5	sing	0.97Å	0.95Å
N18	H6	sing	0.97Å	1.00Å
N18	H7	sing	0.97Å	1.00Å
N19	H8	sing	0.97Å	1.00Å
N19	H9	sing	0.97Å	1.00Å
C21	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
C25	H13	sing	1.08Å	1.08Å
O26	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N19	C14	N15	120.0°	121.1°
N19	C14	C12	121.2°	121.1°
C14	N19	H8	109.5°	120.0°
C14	N19	H9	109.5°	120.0°
C14	N15	C16	121.0°	121.2°
N15	C14	C12	118.8°	117.8°
N15	C16	N18	117.8°	118.3°
N15	C16	N17	123.2°	123.5°
C14	C12	N13	123.3°	121.9°
C14	C12	C11	117.3°	117.8°
N18	C16	N17	119.0°	118.3°
C16	N18	H6	109.5°	120.0°
C16	N18	H7	109.5°	120.0°
C16	N17	C11	121.7°	121.2°
O7	C5	C4	121.1°	120.0°
O7	C5	C6	118.7°	120.0°
C5	O7	H5	109.5°	114.1°
N13	C12	C11	119.4°	120.3°
C12	N13	C8	122.0°	119.6°
C12	C11	N17	118.0°	118.6°
C12	C11	N10	118.8°	119.7°
N13	C8	C3	116.1°	119.8°
N13	C8	C9	118.7°	120.3°
N17	C11	N10	123.2°	121.7°
C5	C4	C3	120.3°	119.8°
C4	C5	C6	120.2°	120.0°
C5	C4	H1	119.9°	120.1°
C4	C3	C8	122.7°	120.1°
C4	C3	C2	117.7°	119.8°
C3	C4	H1	119.9°	120.1°
C5	C6	C1	119.9°	120.2°
C5	C6	H2	120.1°	119.9°
C11	N10	C9	121.7°	119.7°
C3	C8	C9	125.1°	119.8°
C8	C3	C2	119.4°	120.1°
C8	C9	N10	119.3°	120.3°
C8	C9	C20	124.6°	119.8°
C3	C2	C1	121.9°	120.0°
C3	C2	H4	119.1°	120.0°
N10	C9	C20	116.0°	119.8°
C6	C1	C2	119.9°	120.2°
C1	C6	H2	120.1°	119.9°
C6	C1	H3	120.0°	119.9°
C9	C20	C21	119.0°	120.1°
C9	C20	C25	122.3°	120.1°
C2	C1	H3	120.0°	119.9°
C1	C2	H4	119.0°	120.0°
C21	C20	C25	118.6°	119.8°
C20	C21	C22	122.1°	120.0°
C20	C21	H10	118.9°	120.0°
C20	C25	C24	119.3°	119.8°
C20	C25	H13	120.3°	120.1°
C21	C22	C23	118.7°	120.2°
C22	C21	H10	118.9°	120.1°
C21	C22	H11	120.7°	119.9°
C22	C23	C24	120.2°	120.2°
C23	C22	H11	120.7°	119.9°
C22	C23	H12	119.9°	119.9°
C25	C24	C23	121.1°	120.0°
C25	C24	O26	119.4°	120.0°
C24	C25	H13	120.4°	120.1°
C23	C24	O26	119.5°	120.0°
C24	C23	H12	119.9°	119.9°
C24	O26	H14	109.5°	114.0°
H6	N18	H7	109.5°	120.0°
H8	N19	H9	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N19	C14	N15	C12	177.9°	179.7°
N19	C14	N15	C16	178.9°	179.7°
N19	C14	C12	N13	1.6°	0.2°
N19	C14	C12	C11	178.1°	179.7°
C14	N19	H8	H9	120.0°	179.9°
C14	N15	C16	N18	178.9°	180.0°
C14	N15	C16	N17	1.3°	0.0°
N15	C14	C12	N13	179.5°	179.9°
N15	C14	C12	C11	0.2°	0.0°
N15	C14	N19	H8	0.0°	179.8°
N15	C14	N19	H9	120.0°	0.3°
C16	N15	C14	C12	1.0°	0.0°
N15	C16	N18	N17	179.8°	180.0°
N15	C16	N17	C11	0.9°	0.1°
N15	C16	N18	H6	0.0°	0.0°
N15	C16	N18	H7	120.0°	180.0°
C14	C12	N13	C11	179.8°	179.9°
C14	C12	N13	C8	179.1°	179.9°
C14	C12	C11	N17	0.2°	0.1°
C14	C12	C11	N10	179.7°	180.0°
C12	C14	N19	H8	177.9°	0.1°
C12	C14	N19	H9	62.1°	180.0°
N18	C16	N17	C11	179.3°	180.0°
C16	N18	H6	H7	120.0°	179.9°
C16	N17	C11	C12	0.1°	0.1°
C16	N17	C11	N10	180.0°	179.9°
N17	C16	N18	H6	179.8°	180.0°
N17	C16	N18	H7	59.8°	0.1°
O7	C5	C4	C6	179.7°	180.0°
O7	C5	C4	C3	179.1°	180.0°
O7	C5	C6	C1	179.5°	180.0°
O7	C5	C4	H1	0.9°	0.3°
O7	C5	C6	H2	0.5°	0.1°
N13	C12	C11	N17	180.0°	180.0°
N13	C12	C11	N10	0.1°	0.0°
C12	N13	C8	C3	178.5°	180.0°
C12	N13	C8	C9	1.2°	0.0°
C11	C12	N13	C8	0.7°	0.0°
C12	C11	N17	N10	179.9°	180.0°
C12	C11	N10	C9	0.1°	0.0°
N13	C8	C3	C4	41.2°	45.2°
N13	C8	C3	C9	177.1°	180.0°
N13	C8	C3	C2	134.9°	134.9°
N13	C8	C9	N10	1.2°	0.0°
N13	C8	C9	C20	178.6°	180.0°
N17	C11	N10	C9	180.0°	180.0°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	C8	178.0°	180.0°
C5	C4	C3	C2	1.8°	0.0°
C4	C5	C6	C1	0.2°	0.0°
C4	C5	C6	H2	179.8°	180.0°
C4	C5	O7	H5	180.0°	90.0°
C3	C4	C5	C6	0.6°	0.0°
C4	C3	C8	C2	176.1°	179.9°
C4	C3	C8	C9	141.8°	134.8°
C4	C3	C2	C1	2.8°	0.0°
C4	C3	C2	H4	177.2°	179.9°
C5	C6	C1	H2	180.0°	179.9°
C5	C6	C1	C2	1.1°	0.1°
C6	C5	C4	H1	179.4°	179.7°
C5	C6	C1	H3	178.8°	179.9°
C6	C5	O7	H5	0.3°	90.0°
C11	N10	C9	C8	0.7°	0.0°
C11	N10	C9	C20	178.3°	180.0°
C3	C8	C9	N10	178.2°	180.0°
C3	C8	C9	C20	4.4°	0.0°
C8	C3	C2	C1	179.1°	179.9°
C8	C3	C4	H1	2.0°	0.3°
C8	C3	C2	H4	0.9°	0.0°
C9	C8	C3	C2	42.2°	45.1°
C8	C9	N10	C20	177.6°	180.0°
C8	C9	C20	C21	58.4°	45.3°
C8	C9	C20	C25	124.5°	134.4°
C3	C2	C1	C6	2.5°	0.1°
C3	C2	C1	H4	180.0°	179.9°
C2	C3	C4	H1	178.2°	179.7°
C3	C2	C1	H3	177.5°	179.9°
N10	C9	C20	C21	119.1°	134.7°
N10	C9	C20	C25	58.0°	45.6°
C6	C1	C2	H3	180.0°	180.0°
C6	C1	C2	H4	177.5°	180.0°
C9	C20	C21	C25	177.2°	179.7°
C9	C20	C21	C22	179.3°	180.0°
C9	C20	C25	C24	179.0°	179.8°
C9	C20	C21	H10	0.7°	0.0°
C9	C20	C25	H13	1.0°	0.0°
C2	C1	C6	H2	178.9°	180.0°
C20	C21	C22	H10	180.0°	180.0°
C20	C21	C22	C23	1.4°	0.0°
C21	C20	C25	C24	1.9°	0.5°
C20	C21	C22	H11	178.7°	180.0°
C21	C20	C25	H13	178.1°	179.7°
C25	C20	C21	C22	2.1°	0.3°
C20	C25	C24	H13	180.0°	179.8°
C20	C25	C24	C23	1.0°	0.5°
C20	C25	C24	O26	179.0°	179.7°
C25	C20	C21	H10	177.9°	179.8°
C21	C22	C23	H11	180.0°	179.9°
C21	C22	C23	C24	0.4°	0.0°
C21	C22	C23	H12	179.6°	180.0°
C22	C23	C24	C25	0.3°	0.3°
C22	C23	C24	H12	180.0°	180.0°
C22	C23	C24	O26	179.8°	179.9°
C23	C22	C21	H10	178.6°	180.0°
C25	C24	C23	O26	180.0°	179.8°
C25	C24	C23	H12	179.7°	179.7°
C25	C24	O26	H14	180.0°	89.8°
C24	C23	C22	H11	179.6°	180.0°
C23	C24	C25	H13	179.0°	179.7°
C23	C24	O26	H14	0.1°	90.0°
O26	C24	C23	H12	0.2°	0.1°
O26	C24	C25	H13	1.0°	0.1°
H2	C6	C1	H3	1.2°	0.0°
H3	C1	C2	H4	2.5°	0.0°
H10	C21	C22	H11	1.3°	0.1°
H11	C22	C23	H12	0.4°	0.0°

Release date:	2018-05-09
Definition date:	2017-08-02
Last modified:	2018-05-04
Release status:	REL
Processing site:	RCSB
Derived from:	5WNK