V29

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	doub	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
C5	C	sing	1.38Å	1.39Å	Aromatic
C6	C3	sing	1.51Å	1.49Å
C6	N	sing	1.47Å	1.53Å
C3	C2	doub	1.38Å	1.39Å	Aromatic
O	C10	sing	1.44Å	1.41Å
O	C9	sing	1.44Å	1.41Å
C	C1	doub	1.38Å	1.39Å	Aromatic
C10	C7	sing	1.54Å	1.53Å
C2	C1	sing	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.55Å	1.54Å
N	C7	sing	1.47Å	1.52Å
C7	C8	sing	1.54Å	1.52Å
C7	C11	sing	1.51Å	1.62Å
O2	C11	doub	1.21Å	1.22Å
C11	O1	sing	1.34Å	1.23Å
C8	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.09Å	1.10Å
C9	H3	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
O1	H5	sing	0.97Å	0.95Å
C1	H6	sing	1.08Å	1.08Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
N	H14	sing	1.01Å	1.00Å
C	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C3	119.4°	120.0°
C4	C5	C	120.1°	120.0°
C4	C5	H7	119.9°	120.0°
C5	C4	H10	120.3°	120.0°
C4	C3	C6	118.8°	120.0°
C4	C3	C2	120.8°	120.0°
C3	C4	H10	120.3°	120.0°
C5	C	C1	120.2°	120.0°
C	C5	H7	120.0°	120.0°
C5	C	H16	119.9°	120.0°
C3	C6	N	107.1°	109.5°
C6	C3	C2	120.4°	120.0°
C3	C6	H8	110.1°	109.5°
C3	C6	H9	110.0°	109.5°
C6	N	C7	112.9°	111.0°
N	C6	H8	110.1°	109.5°
N	C6	H9	110.1°	109.4°
C6	N	H14	108.6°	111.0°
C3	C2	C1	119.4°	120.0°
C3	C2	H11	120.3°	120.0°
C10	O	C9	108.5°	105.3°
O	C10	C7	102.8°	104.8°
O	C10	H12	111.1°	110.3°
O	C10	H13	111.1°	110.5°
O	C9	C8	106.9°	104.8°
O	C9	H3	110.1°	110.3°
O	C9	H4	110.1°	110.5°
C	C1	C2	120.1°	120.0°
C	C1	H6	120.0°	120.0°
C1	C	H16	119.9°	120.0°
C10	C7	N	110.6°	110.6°
C10	C7	C8	99.6°	104.1°
C10	C7	C11	115.5°	110.5°
C7	C10	H12	111.1°	110.4°
C7	C10	H13	111.1°	110.4°
C2	C1	H6	119.9°	120.0°
C1	C2	H11	120.3°	120.0°
C9	C8	C7	101.6°	104.0°
C9	C8	H1	111.4°	110.5°
C9	C8	H2	111.4°	110.6°
C8	C9	H3	110.1°	110.4°
C8	C9	H4	110.1°	110.4°
N	C7	C8	109.5°	110.5°
N	C7	C11	109.4°	110.4°
C7	N	H14	108.6°	111.0°
C8	C7	C11	111.9°	110.5°
C7	C8	H1	111.4°	110.5°
C7	C8	H2	111.4°	110.5°
C7	C11	O2	113.5°	120.0°
C7	C11	O1	114.2°	120.0°
O2	C11	O1	132.2°	120.0°
C11	O1	H5	109.5°	117.0°
H1	C8	H2	109.5°	110.5°
H3	C9	H4	109.4°	110.3°
H8	C6	H9	109.5°	109.4°
H12	C10	H13	109.4°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C3	H10	180.0°	179.7°
C4	C5	C	H7	180.0°	180.0°
C5	C4	C3	C6	179.2°	179.9°
C5	C4	C3	C2	0.1°	0.3°
C4	C5	C	C1	0.0°	0.0°
C4	C5	C	H16	179.9°	180.0°
C3	C4	C5	C	0.0°	0.3°
C4	C3	C6	C2	179.3°	179.6°
C4	C3	C6	N	117.5°	89.9°
C4	C3	C2	C1	0.1°	0.1°
C3	C4	C5	H7	180.0°	179.7°
C4	C3	C6	H8	122.8°	150.0°
C4	C3	C6	H9	2.1°	30.0°
C4	C3	C2	H11	179.9°	180.0°
C5	C	C1	H16	180.0°	180.0°
C5	C	C1	C2	0.0°	0.2°
C5	C	C1	H6	180.0°	180.0°
C	C5	C4	H10	180.0°	180.0°
C3	C6	N	H8	119.6°	120.1°
C3	C6	N	H9	119.6°	120.0°
C6	C3	C2	C1	179.2°	179.7°
C3	C6	N	C7	150.7°	174.7°
C3	C6	H8	H9	121.1°	120.0°
C6	C3	C4	H10	0.8°	0.3°
C6	C3	C2	H11	0.8°	0.4°
C3	C6	N	H14	88.8°	61.2°
N	C6	C3	C2	63.2°	89.7°
C6	N	C7	C10	43.0°	178.3°
C6	N	C7	H14	120.5°	124.0°
C6	N	C7	C8	151.8°	63.5°
C6	N	C7	C11	85.3°	59.1°
N	C6	H8	H9	121.1°	119.9°
C3	C2	C1	C	0.1°	0.2°
C3	C2	C1	H11	180.0°	179.9°
C3	C2	C1	H6	180.0°	180.0°
C2	C3	C6	H8	56.5°	30.4°
C2	C3	C6	H9	177.2°	150.3°
C2	C3	C4	H10	179.9°	180.0°
O	C10	C7	H12	118.9°	118.8°
O	C10	C7	H13	119.0°	118.9°
C10	O	C9	C8	12.1°	40.5°
O	C10	C7	N	69.9°	94.8°
O	C10	C7	C8	45.3°	24.0°
O	C10	C7	C11	165.2°	142.7°
C10	O	C9	H3	107.5°	159.3°
C10	O	C9	H4	131.8°	78.4°
O	C10	H12	H13	123.1°	122.4°
C9	O	C10	C7	36.4°	40.5°
O	C9	C8	H3	119.6°	118.8°
O	C9	C8	H4	119.6°	118.9°
O	C9	C8	C7	16.9°	24.0°
O	C9	C8	H1	101.8°	94.7°
O	C9	C8	H2	135.6°	142.7°
O	C9	H3	H4	121.2°	122.3°
C9	O	C10	H12	155.3°	78.3°
C9	O	C10	H13	82.6°	159.4°
C	C1	C2	H6	180.0°	179.8°
C1	C	C5	H7	180.0°	180.0°
C	C1	C2	H11	180.0°	179.7°
C10	C7	C8	C9	36.6°	0.0°
C10	C7	N	C8	108.8°	114.8°
C10	C7	N	C11	128.3°	122.7°
C10	C7	C8	C11	122.6°	118.7°
C10	C7	C11	O2	4.3°	90.6°
C10	C7	C11	O1	175.6°	89.3°
C10	C7	C8	H1	82.1°	118.6°
C10	C7	C8	H2	155.3°	118.7°
C7	C10	H12	H13	123.1°	122.3°
C10	C7	N	H14	77.5°	57.7°
C2	C1	C	H16	180.0°	179.8°
C9	C8	C7	N	79.4°	118.8°
C9	C8	C7	H1	118.7°	118.6°
C9	C8	C7	H2	118.7°	118.7°
C9	C8	C7	C11	159.2°	118.7°
C9	C8	H1	H2	123.7°	122.7°
C8	C9	H3	H4	121.2°	122.3°
N	C7	C8	C11	121.4°	122.5°
N	C7	C11	O2	129.8°	146.7°
N	C7	C11	O1	50.1°	33.4°
N	C7	C8	H1	161.9°	0.2°
N	C7	C8	H2	39.3°	122.5°
C7	N	C6	H8	31.1°	54.7°
C7	N	C6	H9	89.7°	65.3°
N	C7	C10	H12	49.0°	146.5°
N	C7	C10	H13	171.1°	24.2°
C8	C7	C11	O2	108.7°	24.2°
C8	C7	C11	O1	71.4°	156.0°
C7	C8	H1	H2	123.6°	122.7°
C7	C8	C9	H3	136.5°	142.8°
C7	C8	C9	H4	102.7°	94.9°
C8	C7	C10	H12	164.2°	94.8°
C8	C7	C10	H13	73.7°	142.9°
C8	C7	N	H14	31.3°	172.5°
C7	C11	O2	O1	179.9°	179.9°
C11	C7	C8	H1	40.5°	122.7°
C11	C7	C8	H2	82.1°	0.0°
C7	C11	O1	H5	179.9°	180.0°
C11	C7	C10	H12	75.9°	23.9°
C11	C7	C10	H13	46.3°	98.4°
C11	C7	N	H14	154.2°	65.0°
O2	C11	O1	H5	0.0°	0.1°
H1	C8	C9	H3	17.8°	24.1°
H1	C8	C9	H4	138.6°	146.4°
H2	C8	C9	H3	104.8°	98.6°
H2	C8	C9	H4	16.0°	23.7°
H6	C1	C2	H11	0.0°	0.1°
H6	C1	C	H16	0.0°	0.0°
H7	C5	C4	H10	0.1°	0.0°
H7	C5	C	H16	0.0°	0.0°
H8	C6	N	H14	151.6°	178.7°
H9	C6	N	H14	30.8°	58.8°

Release date:	2022-11-02
Definition date:	2022-08-29
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5ST7