1OB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	C17	doub	1.22Å	1.22Å
C15	N16	doub	1.31Å	1.31Å	Aromatic
C15	C14	sing	1.41Å	1.40Å	Aromatic
C25	C24	doub	1.38Å	1.38Å	Aromatic
C25	C20	sing	1.39Å	1.39Å	Aromatic
C24	C23	sing	1.38Å	1.38Å	Aromatic
C17	C14	sing	1.46Å	1.45Å
C17	N19	sing	1.35Å	1.35Å
N16	N11	sing	1.40Å	1.40Å	Aromatic
C14	C12	doub	1.41Å	1.40Å	Aromatic
C20	N19	sing	1.40Å	1.40Å
C20	C21	doub	1.39Å	1.39Å	Aromatic
C23	F26	sing	1.35Å	1.35Å
C23	C22	doub	1.39Å	1.38Å	Aromatic
N11	C12	sing	1.37Å	1.36Å	Aromatic
N11	C10	sing	1.37Å	1.35Å	Aromatic
C12	N13	sing	1.33Å	1.34Å	Aromatic
C21	C22	sing	1.38Å	1.38Å	Aromatic
O27	C10	sing	1.35Å	1.34Å
C10	C9	doub	1.37Å	1.37Å	Aromatic
N13	C8	doub	1.32Å	1.32Å	Aromatic
C9	C8	sing	1.39Å	1.39Å	Aromatic
C8	C7	sing	1.51Å	1.51Å
C7	C6	sing	1.51Å	1.51Å
C1	C6	doub	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C2	C3	doub	1.40Å	1.40Å	Aromatic
C5	C4	doub	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.40Å	1.40Å	Aromatic
C3	C28	sing	1.43Å	1.43Å
C28	N29	trip	1.14Å	1.13Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
N19	H10	sing	0.97Å	1.00Å
C21	H11	sing	1.08Å	1.08Å
C22	H12	sing	1.08Å	1.08Å
C24	H13	sing	1.08Å	1.08Å
C25	H14	sing	1.08Å	1.08Å
O27	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	C17	C14	119.0°	120.0°
O18	C17	N19	125.3°	120.0°
N16	C15	C14	108.2°	108.7°
C15	N16	N11	109.1°	109.5°
N16	C15	H9	125.9°	125.6°
C15	C14	C17	127.0°	126.6°
C15	C14	C12	108.1°	106.9°
C14	C15	H9	125.9°	125.7°
C24	C25	C20	119.9°	119.9°
C25	C24	C23	119.9°	120.0°
C25	C24	H13	120.0°	119.9°
C24	C25	H14	120.1°	120.0°
C25	C20	N19	123.2°	120.0°
C25	C20	C21	119.6°	119.9°
C20	C25	H14	120.0°	120.0°
C24	C23	F26	119.4°	119.9°
C24	C23	C22	120.7°	120.1°
C23	C24	H13	120.1°	120.0°
C14	C17	N19	115.6°	120.0°
C17	C14	C12	124.8°	126.5°
C17	N19	C20	128.5°	120.0°
C17	N19	H10	115.8°	120.0°
N16	N11	C12	108.9°	108.2°
N16	N11	C10	131.9°	132.1°
C14	C12	N11	105.7°	106.7°
C14	C12	N13	132.8°	132.5°
N19	C20	C21	117.2°	120.1°
C20	N19	H10	115.7°	120.0°
C20	C21	C22	120.5°	120.0°
C20	C21	H11	119.8°	120.0°
F26	C23	C22	119.9°	120.0°
C23	C22	C21	119.4°	120.0°
C23	C22	H12	120.3°	119.9°
C12	N11	C10	119.1°	119.7°
N11	C12	N13	121.4°	120.8°
N11	C10	O27	117.9°	120.5°
N11	C10	C9	120.1°	119.0°
C12	N13	C8	120.5°	121.0°
C22	C21	H11	119.7°	120.0°
C21	C22	H12	120.3°	120.0°
O27	C10	C9	122.0°	120.5°
C10	O27	H8	109.5°	114.0°
C10	C9	C8	118.7°	119.3°
C10	C9	H7	120.7°	120.4°
N13	C8	C9	120.1°	120.2°
N13	C8	C7	121.5°	119.9°
C9	C8	C7	118.3°	119.9°
C8	C9	H7	120.6°	120.3°
C8	C7	C6	114.1°	109.4°
C8	C7	H5	108.3°	109.4°
C8	C7	H6	108.3°	109.5°
C7	C6	C1	119.8°	119.8°
C7	C6	C5	120.4°	119.9°
C6	C7	H5	108.3°	109.5°
C6	C7	H6	108.3°	109.5°
C6	C1	C2	120.5°	120.2°
C1	C6	C5	119.8°	120.3°
C6	C1	H1	119.8°	119.9°
C1	C2	C3	119.9°	119.8°
C2	C1	H1	119.8°	119.9°
C1	C2	H2	120.1°	120.1°
C6	C5	C4	120.7°	120.1°
C6	C5	H4	119.7°	119.9°
C2	C3	C4	119.6°	119.7°
C2	C3	C28	120.0°	120.1°
C3	C2	H2	120.0°	120.1°
C5	C4	C3	119.5°	119.9°
C5	C4	H3	120.2°	120.1°
C4	C5	H4	119.6°	119.9°
C4	C3	C28	120.4°	120.2°
C3	C4	H3	120.2°	120.0°
C3	C28	N29	179.5°	180.0°
H5	C7	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	C17	C14	C15	1.3°	179.9°
O18	C17	C14	N19	177.3°	180.0°
O18	C17	C14	C12	177.8°	0.0°
O18	C17	N19	C20	1.4°	4.6°
O18	C17	N19	H10	178.6°	175.4°
N16	C15	C14	H9	180.0°	179.6°
N16	C15	C14	C17	177.9°	179.8°
N16	C15	C14	C12	0.9°	0.3°
C15	N16	N11	C12	0.4°	0.5°
C15	N16	N11	C10	179.7°	179.9°
C15	C14	C17	C12	176.5°	180.0°
C15	C14	C17	N19	176.0°	0.0°
C14	C15	N16	N11	0.8°	0.4°
C15	C14	C12	N11	0.7°	0.0°
C15	C14	C12	N13	179.7°	179.7°
C24	C25	C20	H14	180.0°	179.4°
C25	C24	C23	H13	180.0°	179.7°
C24	C25	C20	N19	180.0°	179.7°
C24	C25	C20	C21	0.8°	0.6°
C25	C24	C23	F26	179.9°	179.7°
C25	C24	C23	C22	0.6°	0.4°
C20	C25	C24	C23	0.8°	0.7°
C25	C20	N19	C17	10.7°	145.2°
C25	C20	N19	C21	179.2°	179.7°
C25	C20	C21	C22	0.6°	0.3°
C25	C20	N19	H10	169.3°	34.8°
C25	C20	C21	H11	179.4°	179.7°
C20	C25	C24	H13	179.1°	179.7°
C24	C23	F26	C22	179.5°	180.0°
C24	C23	C22	C21	0.3°	0.0°
C24	C23	C22	H12	179.7°	180.0°
C23	C24	C25	H14	179.1°	180.0°
C14	C17	N19	C20	178.6°	175.4°
C17	C14	C12	N11	177.7°	179.9°
C17	C14	C12	N13	2.7°	0.3°
C17	C14	C15	H9	2.1°	0.2°
C14	C17	N19	H10	1.4°	4.7°
N19	C17	C14	C12	0.5°	180.0°
C17	N19	C20	H10	180.0°	180.0°
C17	N19	C20	C21	170.1°	35.1°
N16	N11	C12	C14	0.2°	0.3°
N16	N11	C12	C10	179.9°	179.7°
N16	N11	C12	N13	179.8°	180.0°
N16	N11	C10	O27	1.1°	0.4°
N16	N11	C10	C9	179.6°	179.6°
N11	N16	C15	H9	179.2°	180.0°
C14	C12	N11	N13	179.7°	179.7°
C14	C12	N11	C10	179.8°	180.0°
C14	C12	N13	C8	179.7°	179.8°
C12	C14	C15	H9	179.1°	179.8°
N19	C20	C21	C22	179.8°	180.0°
N19	C20	C21	H11	0.2°	0.0°
N19	C20	C25	H14	0.0°	0.3°
C20	C21	C22	C23	0.3°	0.0°
C20	C21	C22	H11	180.0°	180.0°
C21	C20	N19	H10	9.9°	144.9°
C20	C21	C22	H12	179.7°	180.0°
C21	C20	C25	H14	179.1°	180.0°
F26	C23	C22	C21	179.8°	180.0°
F26	C23	C22	H12	0.2°	0.0°
F26	C23	C24	H13	0.1°	0.0°
C23	C22	C21	H12	180.0°	180.0°
C23	C22	C21	H11	179.7°	180.0°
C22	C23	C24	H13	179.4°	180.0°
C12	N11	C10	O27	179.0°	180.0°
C12	N11	C10	C9	0.6°	0.0°
N11	C12	N13	C8	0.1°	0.6°
C10	N11	C12	N13	0.1°	0.3°
N11	C10	O27	C9	178.4°	180.0°
N11	C10	C9	C8	1.1°	0.0°
N11	C10	C9	H7	178.9°	180.0°
N11	C10	O27	H8	180.0°	180.0°
C12	N13	C8	C9	0.5°	0.5°
C12	N13	C8	C7	179.2°	179.8°
O27	C10	C9	C8	179.5°	180.0°
O27	C10	C9	H7	0.5°	0.0°
C10	C9	C8	N13	1.1°	0.2°
C10	C9	C8	H7	180.0°	180.0°
C10	C9	C8	C7	179.9°	179.9°
C9	C10	O27	H8	1.6°	0.0°
N13	C8	C9	C7	178.8°	179.7°
N13	C8	C7	C6	25.4°	0.3°
N13	C8	C7	H5	146.1°	120.3°
N13	C8	C7	H6	95.2°	119.7°
N13	C8	C9	H7	178.9°	179.8°
C9	C8	C7	C6	155.8°	180.0°
C9	C8	C7	H5	35.1°	60.0°
C9	C8	C7	H6	83.5°	60.0°
C8	C7	C6	H5	120.7°	119.9°
C8	C7	C6	H6	120.7°	120.0°
C8	C7	C6	C1	59.3°	90.1°
C8	C7	C6	C5	122.0°	90.0°
C8	C7	H5	H6	117.9°	120.0°
C7	C8	C9	H7	0.1°	0.0°
C7	C6	C1	C5	178.7°	180.0°
C7	C6	C1	C2	179.7°	180.0°
C7	C6	C5	C4	179.3°	179.9°
C7	C6	C1	H1	0.3°	0.2°
C7	C6	C5	H4	0.7°	0.0°
C6	C7	H5	H6	117.9°	120.1°
C6	C1	C2	H1	180.0°	179.8°
C6	C1	C2	C3	0.9°	0.0°
C1	C6	C5	C4	0.6°	0.0°
C6	C1	C2	H2	179.1°	179.9°
C1	C6	C5	H4	179.4°	180.0°
C1	C6	C7	H5	61.4°	150.0°
C1	C6	C7	H6	180.0°	30.0°
C2	C1	C6	C5	0.9°	0.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.6°	0.0°
C1	C2	C3	C28	179.6°	180.0°
C6	C5	C4	H4	180.0°	179.9°
C6	C5	C4	C3	0.3°	0.1°
C5	C6	C1	H1	179.1°	179.8°
C6	C5	C4	H3	179.7°	180.0°
C5	C6	C7	H5	117.3°	29.9°
C5	C6	C7	H6	1.3°	150.0°
C2	C3	C4	C5	0.3°	0.1°
C2	C3	C4	C28	179.8°	180.0°
C2	C3	C28	N29	3.5°	127.1°
C3	C2	C1	H1	179.1°	179.8°
C2	C3	C4	H3	179.7°	180.0°
C5	C4	C3	H3	180.0°	179.9°
C5	C4	C3	C28	180.0°	179.9°
C4	C3	C28	N29	176.2°	52.9°
C4	C3	C2	H2	179.4°	179.9°
C3	C4	C5	H4	179.7°	180.0°
C28	C3	C2	H2	0.4°	0.0°
C28	C3	C4	H3	0.0°	0.0°
H1	C1	C2	H2	0.9°	0.3°
H3	C4	C5	H4	0.3°	0.1°
H11	C21	C22	H12	0.3°	0.0°
H13	C24	C25	H14	0.9°	0.3°

Release date:	2013-05-15
Definition date:	2013-04-09
Last modified:	2013-05-10
Release status:	REL
Processing site:	RCSB
Derived from:	4K18