7LL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	1.36Å	1.38Å	Aromatic
C11	C12	sing	1.41Å	1.38Å	Aromatic
C17	C12	doub	1.41Å	1.37Å	Aromatic
C17	C16	sing	1.36Å	1.41Å	Aromatic
C10	C9	sing	1.39Å	1.42Å	Aromatic
C12	C13	sing	1.42Å	1.39Å	Aromatic
C16	C15	doub	1.39Å	1.38Å	Aromatic
C9	O2	sing	1.36Å	1.36Å
C9	C8	doub	1.39Å	1.39Å	Aromatic
C13	C8	sing	1.46Å	1.42Å	Aromatic
C13	C14	doub	1.40Å	1.42Å	Aromatic
C4	C5	doub	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.36Å	1.39Å	Aromatic
C5	C	sing	1.39Å	1.41Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.47Å	1.50Å
C	O	sing	1.36Å	1.37Å
C	C1	doub	1.40Å	1.40Å	Aromatic
C2	C1	sing	1.40Å	1.41Å	Aromatic
C1	C6	sing	1.47Å	1.52Å
O1	C6	doub	1.22Å	1.23Å
C6	N	sing	1.35Å	1.34Å
C7	N1	doub	1.30Å	1.29Å
N	N1	sing	1.40Å	1.43Å
C2	H1	sing	1.08Å	1.08Å
O2	H2	sing	0.97Å	0.95Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
O	H6	sing	0.97Å	0.95Å
N	H7	sing	0.97Å	1.00Å
C7	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	117.2°	120.7°
C11	C10	C9	121.4°	121.8°
C11	C10	H9	119.3°	119.1°
C10	C11	H10	121.4°	119.7°
C11	C12	C17	119.6°	121.2°
C11	C12	C13	123.2°	119.6°
C12	C11	H10	121.4°	119.6°
C12	C17	C16	125.5°	119.6°
C17	C12	C13	117.2°	119.2°
C12	C17	H11	117.3°	120.2°
C17	C16	C15	118.3°	121.0°
C16	C17	H11	117.3°	120.2°
C17	C16	H12	120.8°	119.5°
C10	C9	O2	120.5°	119.8°
C10	C9	C8	120.8°	120.4°
C9	C10	H9	119.3°	119.1°
C12	C13	C8	120.2°	118.9°
C12	C13	C14	117.7°	119.7°
C16	C15	C14	116.6°	120.9°
C15	C16	H12	120.9°	119.4°
C16	C15	H13	121.7°	119.6°
O2	C9	C8	118.6°	119.8°
C9	O2	H2	109.5°	113.9°
C9	C8	C13	117.1°	118.6°
C9	C8	C7	124.0°	120.8°
C8	C13	C14	122.1°	121.5°
C13	C8	C7	118.4°	120.7°
C13	C14	C15	124.7°	119.6°
C13	C14	H14	117.6°	120.2°
C5	C4	C3	119.4°	120.4°
C4	C5	C	121.1°	120.0°
C5	C4	H4	120.3°	119.8°
C4	C5	H5	119.4°	120.0°
C4	C3	C2	119.3°	120.3°
C4	C3	H3	120.3°	119.8°
C3	C4	H4	120.3°	119.8°
C14	C15	H13	121.7°	119.5°
C15	C14	H14	117.7°	120.2°
C5	C	O	119.5°	120.1°
C5	C	C1	119.6°	119.8°
C	C5	H5	119.4°	120.0°
C3	C2	C1	122.3°	119.9°
C3	C2	H1	118.9°	120.1°
C2	C3	H3	120.4°	119.9°
C8	C7	N1	130.1°	120.0°
C8	C7	H8	115.0°	120.0°
O	C	C1	120.9°	120.1°
C	O	H6	109.5°	114.0°
C	C1	C2	118.2°	119.6°
C	C1	C6	124.1°	120.2°
C2	C1	C6	117.5°	120.2°
C1	C2	H1	118.8°	120.0°
C1	C6	O1	122.6°	120.0°
C1	C6	N	118.3°	120.0°
O1	C6	N	118.8°	120.0°
C6	N	N1	117.3°	120.0°
C6	N	H7	121.4°	120.0°
C7	N1	N	128.1°	120.0°
N1	C7	H8	115.0°	120.0°
N1	N	H7	121.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H10	180.0°	179.9°
C10	C11	C12	C17	179.4°	179.9°
C11	C10	C9	H9	180.0°	179.9°
C10	C11	C12	C13	0.4°	0.2°
C11	C10	C9	O2	178.2°	179.9°
C11	C10	C9	C8	0.1°	0.1°
C11	C12	C17	C13	179.1°	179.8°
C11	C12	C17	C16	178.3°	180.0°
C12	C11	C10	C9	0.6°	0.1°
C11	C12	C13	C8	0.7°	0.5°
C11	C12	C13	C14	179.8°	180.0°
C12	C11	C10	H9	179.4°	180.0°
C11	C12	C17	H11	1.7°	0.0°
C12	C17	C16	H11	180.0°	180.0°
C12	C17	C16	C15	2.2°	0.0°
C17	C12	C13	C8	178.4°	179.7°
C17	C12	C13	C14	0.7°	0.2°
C17	C12	C11	H10	0.6°	0.0°
C12	C17	C16	H12	177.8°	180.0°
C16	C17	C12	C13	0.8°	0.2°
C17	C16	C15	H12	180.0°	180.0°
C17	C16	C15	C14	1.8°	0.3°
C17	C16	C15	H13	178.2°	180.0°
C10	C9	O2	C8	178.1°	180.0°
C10	C9	C8	C13	1.2°	0.2°
C10	C9	C8	C7	173.5°	180.0°
C10	C9	O2	H2	180.0°	85.0°
C9	C10	C11	H10	179.4°	180.0°
C12	C13	C8	C9	1.4°	0.5°
C12	C13	C8	C14	179.1°	179.5°
C12	C13	C14	C15	1.0°	0.1°
C12	C13	C8	C7	174.2°	179.7°
C13	C12	C11	H10	179.6°	179.7°
C13	C12	C17	H11	179.2°	179.8°
C12	C13	C14	H14	179.0°	179.9°
C16	C15	C14	C13	0.3°	0.3°
C16	C15	C14	H13	180.0°	179.7°
C15	C16	C17	H11	177.8°	180.0°
C16	C15	C14	H14	179.7°	179.8°
O2	C9	C8	C13	179.2°	179.7°
O2	C9	C8	C7	8.4°	0.0°
O2	C9	C10	H9	1.8°	0.1°
C9	C8	C13	C7	172.8°	179.7°
C9	C8	C13	C14	179.5°	179.9°
C9	C8	C7	N1	30.6°	55.9°
C8	C9	O2	H2	1.9°	95.0°
C9	C8	C7	H8	149.3°	124.1°
C8	C9	C10	H9	179.8°	179.9°
C8	C13	C14	C15	178.1°	179.5°
C13	C8	C7	N1	141.6°	124.4°
C13	C8	C7	H8	38.4°	55.6°
C8	C13	C14	H14	1.9°	0.4°
C13	C14	C15	H14	180.0°	179.9°
C14	C13	C8	C7	6.7°	0.2°
C13	C14	C15	H13	179.7°	180.0°
C5	C4	C3	H4	180.0°	179.8°
C4	C5	C	H5	180.0°	179.7°
C5	C4	C3	C2	0.4°	0.1°
C4	C5	C	O	179.8°	180.0°
C4	C5	C	C1	1.3°	0.5°
C5	C4	C3	H3	179.6°	180.0°
C3	C4	C5	C	0.2°	0.2°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C1	0.8°	0.0°
C4	C3	C2	H1	179.2°	180.0°
C3	C4	C5	H5	179.8°	179.9°
C14	C15	C16	H12	178.2°	179.8°
C5	C	O	C1	178.4°	179.5°
C5	C	C1	C2	2.4°	0.5°
C5	C	C1	C6	177.8°	179.8°
C	C5	C4	H4	179.8°	180.0°
C5	C	O	H6	172.4°	90.0°
C3	C2	C1	C	2.2°	0.3°
C3	C2	C1	H1	180.0°	180.0°
C3	C2	C1	C6	177.9°	180.0°
C2	C3	C4	H4	179.6°	179.8°
C8	C7	N1	H8	180.0°	180.0°
C8	C7	N1	N	11.8°	6.4°
O	C	C1	C2	179.1°	180.0°
O	C	C1	C6	3.7°	0.3°
O	C	C5	H5	0.2°	0.3°
C	C1	C2	C6	175.7°	179.7°
C	C1	C6	O1	16.2°	5.0°
C	C1	C6	N	170.0°	175.1°
C	C1	C2	H1	177.8°	179.7°
C1	C	C5	H5	178.7°	179.8°
C1	C	O	H6	9.1°	89.5°
C2	C1	C6	O1	159.3°	174.7°
C2	C1	C6	N	14.6°	5.2°
C1	C2	C3	H3	179.2°	180.0°
C1	C6	O1	N	173.8°	179.9°
C1	C6	N	N1	175.5°	175.0°
C6	C1	C2	H1	2.0°	0.0°
C1	C6	N	H7	4.5°	5.0°
O1	C6	N	N1	1.5°	5.1°
O1	C6	N	H7	178.6°	175.0°
C6	N	N1	C7	91.2°	175.3°
C6	N	N1	H7	180.0°	180.0°
C7	N1	N	H7	88.8°	4.7°
N	N1	C7	H8	168.2°	173.6°
H1	C2	C3	H3	0.8°	0.0°
H3	C3	C4	H4	0.4°	0.2°
H4	C4	C5	H5	0.2°	0.2°
H9	C10	C11	H10	0.6°	0.1°
H11	C17	C16	H12	2.2°	0.0°
H12	C16	C15	H13	1.8°	0.0°
H13	C15	C14	H14	0.3°	0.1°

Release date:	2017-08-02
Definition date:	2016-11-11
Last modified:	2017-07-28
Release status:	REL
Processing site:	RCSB
Derived from:	5TUS