QUG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C10	sing	1.51Å	1.51Å
C6	O1	sing	1.43Å	1.43Å
C6	C7	sing	1.55Å	1.52Å
C10	C9	doub	1.31Å	1.33Å
O	C7	sing	1.43Å	1.43Å
C9	C8	sing	1.51Å	1.52Å
C7	C8	sing	1.55Å	1.53Å
C8	N3	sing	1.47Å	1.49Å
N3	C11	sing	1.47Å	1.48Å
C11	C5	sing	1.51Å	1.51Å
O2	C1	doub	1.22Å	1.25Å
C5	C2	sing	1.46Å	1.46Å	Aromatic
C5	C4	doub	1.34Å	1.39Å	Aromatic
C1	C2	sing	1.46Å	1.48Å
C1	N	sing	1.34Å	1.34Å
C2	C3	doub	1.39Å	1.47Å	Aromatic
C4	N2	sing	1.37Å	1.36Å	Aromatic
N	C	doub	1.32Å	1.35Å
C3	N2	sing	1.36Å	1.34Å	Aromatic
C3	N1	sing	1.37Å	1.36Å
C	N1	sing	1.36Å	1.37Å
C	N4	sing	1.37Å	1.36Å
O	H1	sing	0.97Å	0.95Å
C10	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
N1	H10	sing	0.97Å	1.00Å
N2	H11	sing	0.97Å	1.00Å
N3	H12	sing	1.01Å	1.00Å
N4	H14	sing	0.97Å	1.00Å
N4	H15	sing	0.97Å	1.00Å
O1	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C6	O1	111.7°	110.4°
C10	C6	C7	105.1°	104.7°
C6	C10	C9	111.8°	111.1°
C6	C10	H2	124.1°	124.4°
C10	C6	H6	110.9°	110.4°
O1	C6	C7	105.9°	110.4°
O1	C6	H6	112.2°	110.4°
C6	O1	H16	109.5°	114.0°
C6	C7	O	111.1°	111.0°
C6	C7	C8	106.8°	101.4°
C7	C6	H6	110.7°	110.4°
C6	C7	H7	107.6°	111.0°
C10	C9	C8	111.5°	111.1°
C9	C10	H2	124.1°	124.5°
C10	C9	H9	124.2°	124.4°
O	C7	C8	114.7°	111.1°
C7	O	H1	109.5°	114.0°
O	C7	H7	108.8°	111.0°
C9	C8	C7	104.8°	104.7°
C9	C8	N3	112.7°	110.4°
C9	C8	H8	107.8°	110.5°
C8	C9	H9	124.3°	124.5°
C7	C8	N3	115.4°	110.3°
C8	C7	H7	107.5°	111.0°
C7	C8	H8	107.6°	110.4°
C8	N3	C11	104.0°	111.0°
N3	C8	H8	108.2°	110.3°
C8	N3	H12	110.9°	111.1°
N3	C11	C5	113.2°	109.5°
N3	C11	H3	108.5°	109.5°
N3	C11	H4	108.6°	109.5°
C11	N3	H12	110.8°	111.0°
C11	C5	C2	127.7°	126.7°
C11	C5	C4	126.8°	126.7°
C5	C11	H3	108.5°	109.5°
C5	C11	H4	108.5°	109.5°
O2	C1	C2	122.1°	120.8°
O2	C1	N	121.2°	120.8°
C2	C5	C4	105.4°	106.5°
C5	C2	C1	136.5°	134.9°
C5	C2	C3	105.2°	106.4°
C5	C4	N2	111.0°	109.4°
C5	C4	H5	124.5°	125.3°
C2	C1	N	116.7°	118.4°
C1	C2	C3	118.4°	118.6°
C1	N	C	122.7°	121.3°
C2	C3	N2	107.5°	107.6°
C2	C3	N1	119.0°	118.3°
C4	N2	C3	110.9°	110.1°
N2	C4	H5	124.5°	125.3°
C4	N2	H11	124.6°	124.9°
N	C	N1	123.9°	122.8°
N	C	N4	117.8°	118.6°
N2	C3	N1	133.5°	134.1°
C3	N2	H11	124.5°	124.9°
C3	N1	C	119.3°	120.6°
C3	N1	H10	120.3°	119.7°
N1	C	N4	118.3°	118.6°
C	N1	H10	120.3°	119.7°
C	N4	H14	120.0°	120.0°
C	N4	H15	120.0°	120.0°
H3	C11	H4	109.5°	109.4°
H14	N4	H15	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C6	O1	C7	113.9°	115.3°
C10	C6	O1	H6	125.2°	122.3°
C10	C6	C7	H6	119.8°	118.8°
C6	C10	C9	H2	180.0°	179.8°
C10	C6	C7	O	124.0°	93.4°
C6	C10	C9	C8	0.1°	0.0°
C10	C6	C7	C8	1.8°	24.7°
C10	C6	C7	H7	116.9°	142.7°
C6	C10	C9	H9	179.9°	179.8°
C10	C6	O1	H16	180.0°	61.5°
O1	C6	C7	H6	121.8°	122.3°
O1	C6	C10	C9	113.3°	102.3°
O1	C6	C7	O	117.6°	147.8°
O1	C6	C7	C8	116.6°	94.1°
O1	C6	C10	H2	66.7°	77.9°
O1	C6	C7	H7	1.5°	23.9°
C7	C6	C10	C9	1.2°	16.5°
C6	C7	O	C8	121.2°	112.0°
C6	C7	O	H7	118.3°	124.0°
C6	C7	C8	C9	1.7°	24.7°
C6	C7	C8	H7	115.2°	118.0°
C6	C7	C8	N3	126.3°	143.5°
C6	C7	O	H1	180.0°	61.5°
C7	C6	C10	H2	178.8°	163.3°
C6	C7	C8	H8	112.8°	94.3°
C7	C6	O1	H16	66.1°	176.8°
C10	C9	C8	H9	180.0°	179.8°
C10	C9	C8	C7	1.1°	16.5°
C10	C9	C8	N3	127.3°	135.3°
C9	C10	C6	H6	120.8°	135.3°
C10	C9	C8	H8	113.3°	102.5°
O	C7	C8	C9	121.9°	93.4°
O	C7	C8	H7	121.2°	124.0°
O	C7	C8	N3	2.7°	25.5°
O	C7	C6	H6	4.3°	25.5°
O	C7	C8	H8	123.6°	147.6°
C9	C8	C7	N3	124.6°	118.8°
C9	C8	C7	H8	114.5°	119.0°
C9	C8	N3	H8	119.1°	122.4°
C9	C8	N3	C11	82.3°	89.7°
C8	C9	C10	H2	180.0°	179.8°
C9	C8	C7	H7	117.0°	142.7°
C9	C8	N3	H12	158.6°	146.3°
C7	C8	N3	H8	120.6°	122.3°
C7	C8	N3	C11	157.4°	155.0°
C8	C7	O	H1	58.7°	173.5°
C8	C7	C6	H6	121.5°	143.5°
C7	C8	C9	H9	178.9°	163.3°
C7	C8	N3	H12	38.3°	31.0°
C8	N3	C11	H12	119.1°	124.0°
C8	N3	C11	C5	164.9°	180.0°
C8	N3	C11	H3	74.6°	60.0°
C8	N3	C11	H4	44.3°	59.9°
N3	C8	C7	H7	118.5°	98.5°
N3	C8	C9	H9	52.7°	44.5°
N3	C11	C5	H3	120.5°	120.0°
N3	C11	C5	H4	120.6°	120.0°
N3	C11	C5	C2	41.8°	80.1°
N3	C11	C5	C4	138.6°	100.0°
N3	C11	H3	H4	118.3°	120.0°
C11	N3	C8	H8	36.9°	32.8°
C11	C5	C2	C4	179.7°	179.9°
C11	C5	C2	C1	0.8°	0.1°
C11	C5	C2	C3	179.5°	180.0°
C11	C5	C4	N2	179.8°	180.0°
C5	C11	H3	H4	118.3°	120.0°
C11	C5	C4	H5	0.2°	0.0°
C5	C11	N3	H12	45.7°	56.0°
O2	C1	C2	C5	0.7°	0.2°
O2	C1	C2	N	177.9°	179.9°
O2	C1	C2	C3	179.6°	180.0°
O2	C1	N	C	180.0°	179.9°
C5	C2	C1	C3	179.7°	179.9°
C5	C2	C1	N	178.7°	180.0°
C2	C5	C4	N2	0.1°	0.1°
C5	C2	C3	N2	0.4°	0.1°
C5	C2	C3	N1	179.8°	179.9°
C2	C5	C11	H3	162.3°	159.9°
C2	C5	C11	H4	78.8°	40.0°
C2	C5	C4	H5	179.9°	180.0°
C4	C5	C2	C1	179.5°	180.0°
C4	C5	C2	C3	0.2°	0.1°
C5	C4	N2	H5	180.0°	180.0°
C5	C4	N2	C3	0.4°	0.0°
C4	C5	C11	H3	18.1°	20.0°
C4	C5	C11	H4	100.9°	139.9°
C5	C4	N2	H11	179.6°	180.0°
C2	C1	N	C	2.0°	0.0°
C1	C2	C3	N2	179.3°	180.0°
C1	C2	C3	N1	0.5°	0.0°
N	C1	C2	C3	1.7°	0.1°
C1	N	C	N1	1.2°	0.0°
C1	N	C	N4	178.5°	180.0°
C2	C3	N2	C4	0.5°	0.0°
C2	C3	N2	N1	179.8°	180.0°
C2	C3	N1	C	0.4°	0.0°
C2	C3	N1	H10	179.6°	180.0°
C2	C3	N2	H11	179.5°	180.0°
C4	N2	C3	H11	180.0°	180.0°
C4	N2	C3	N1	179.7°	180.0°
N	C	N1	C3	0.2°	0.1°
N	C	N1	N4	179.7°	179.9°
N	C	N1	H10	179.8°	180.0°
N	C	N4	H14	0.0°	0.0°
N	C	N4	H15	180.0°	180.0°
N2	C3	N1	C	179.8°	180.0°
C3	N2	C4	H5	179.6°	180.0°
N2	C3	N1	H10	0.2°	0.0°
C3	N1	C	H10	180.0°	179.9°
C3	N1	C	N4	179.8°	180.0°
N1	C3	N2	H11	0.3°	0.0°
N1	C	N4	H14	179.7°	179.9°
N1	C	N4	H15	0.3°	0.1°
N4	C	N1	H10	0.1°	0.1°
C	N4	H14	H15	180.0°	180.0°
H1	O	C7	H7	61.7°	62.5°
H2	C10	C6	H6	59.2°	44.4°
H2	C10	C9	H9	0.1°	0.0°
H3	C11	N3	H12	166.3°	64.0°
H4	C11	N3	H12	74.8°	176.0°
H5	C4	N2	H11	0.4°	0.0°
H6	C6	C7	H7	123.3°	98.5°
H6	C6	O1	H16	54.8°	60.9°
H7	C7	C8	H8	2.4°	23.7°
H8	C8	C9	H9	66.6°	77.7°
H8	C8	N3	H12	82.2°	91.2°

Release date:	2019-09-18
Definition date:	2019-06-06
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	6P78