LO0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C13	doub	1.21Å	1.24Å
C13	N1	sing	1.34Å	1.37Å
C13	C14	sing	1.51Å	1.42Å
N1	C12	doub	1.30Å	1.36Å
C14	C10	sing	1.51Å	1.37Å
C12	C11	sing	1.46Å	1.35Å
C10	C11	doub	1.35Å	1.43Å
C10	C9	sing	1.48Å	1.50Å
C9	O2	doub	1.22Å	1.23Å
C9	N	sing	1.35Å	1.33Å
N	C8	sing	1.47Å	1.46Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.53Å	1.50Å
O1	C6	sing	1.36Å	1.37Å
O1	C7	sing	1.43Å	1.44Å
C6	C1	doub	1.39Å	1.41Å	Aromatic
C2	C1	sing	1.39Å	1.39Å	Aromatic
C1	O	sing	1.36Å	1.37Å
O	C	sing	1.43Å	1.43Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
N	H7	sing	0.97Å	1.00Å
C11	H8	sing	1.08Å	1.08Å
C2	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C13	N1	118.9°	120.5°
O3	C13	C14	125.3°	120.5°
N1	C13	C14	115.7°	118.9°
C13	N1	C12	123.8°	122.8°
C13	C14	C10	121.2°	117.2°
C13	C14	H11	106.5°	107.9°
C13	C14	H12	106.4°	107.9°
N1	C12	C11	121.3°	123.3°
N1	C12	H10	119.4°	118.3°
C14	C10	C11	120.1°	117.4°
C14	C10	C9	119.1°	121.4°
C10	C14	H11	106.5°	107.9°
C10	C14	H12	106.5°	107.9°
C12	C11	C10	117.8°	120.4°
C12	C11	H8	121.1°	119.8°
C11	C12	H10	119.3°	118.3°
C11	C10	C9	120.9°	121.3°
C10	C11	H8	121.1°	119.8°
C10	C9	O2	120.8°	120.0°
C10	C9	N	116.8°	119.9°
O2	C9	N	122.4°	120.0°
C9	N	C8	121.9°	119.9°
C9	N	H7	119.1°	120.1°
N	C8	C7	111.8°	109.4°
N	C8	H5	108.9°	109.5°
N	C8	H6	108.9°	109.5°
C8	N	H7	119.0°	120.0°
C5	C4	C3	120.6°	120.1°
C4	C5	C6	119.5°	120.1°
C5	C4	H1	119.7°	119.9°
C4	C5	H2	120.3°	120.0°
C4	C3	C2	120.6°	120.2°
C3	C4	H1	119.7°	120.0°
C4	C3	H16	119.7°	119.9°
C5	C6	O1	124.8°	120.1°
C5	C6	C1	120.0°	119.8°
C6	C5	H2	120.3°	119.9°
C3	C2	C1	119.5°	119.9°
C3	C2	H9	120.3°	120.0°
C2	C3	H16	119.7°	119.9°
C8	C7	O1	107.1°	109.4°
C8	C7	H3	110.1°	109.4°
C8	C7	H4	110.1°	109.4°
C7	C8	H5	108.9°	109.5°
C7	C8	H6	108.9°	109.5°
C6	O1	C7	119.0°	116.9°
O1	C6	C1	115.1°	120.1°
O1	C7	H3	110.1°	109.5°
O1	C7	H4	110.1°	109.5°
C6	C1	C2	119.9°	119.9°
C6	C1	O	115.1°	120.1°
C2	C1	O	125.1°	120.0°
C1	C2	H9	120.2°	120.1°
C1	O	C	117.9°	117.0°
O	C	H13	109.5°	109.5°
O	C	H14	109.5°	109.5°
O	C	H15	109.5°	109.5°
H3	C7	H4	109.4°	109.5°
H5	C8	H6	109.5°	109.5°
H11	C14	H12	109.5°	107.6°
H13	C	H14	109.5°	109.5°
H13	C	H15	109.4°	109.5°
H14	C	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C13	N1	C14	177.1°	180.0°
O3	C13	N1	C12	176.5°	180.0°
O3	C13	C14	C10	176.0°	179.9°
O3	C13	C14	H11	62.4°	58.0°
O3	C13	C14	H12	54.4°	58.1°
N1	C13	C14	C10	0.9°	0.0°
C13	N1	C12	C11	0.2°	0.0°
C13	N1	C12	H10	179.8°	180.0°
N1	C13	C14	H11	120.7°	122.0°
N1	C13	C14	H12	122.5°	121.9°
C14	C13	N1	C12	0.6°	0.0°
C13	C14	C10	H11	121.6°	122.0°
C13	C14	C10	H12	121.6°	122.0°
C13	C14	C10	C11	0.4°	0.0°
C13	C14	C10	C9	178.9°	180.0°
C13	C14	H11	H12	114.7°	116.3°
N1	C12	C11	H10	180.0°	179.9°
N1	C12	C11	C10	0.7°	0.0°
N1	C12	C11	H8	179.3°	180.0°
C14	C10	C11	C12	0.4°	0.0°
C14	C10	C11	C9	178.4°	180.0°
C14	C10	C9	O2	102.4°	180.0°
C14	C10	C9	N	80.2°	0.0°
C14	C10	C11	H8	179.6°	180.0°
C10	C14	H11	H12	114.7°	116.3°
C12	C11	C10	H8	180.0°	180.0°
C12	C11	C10	C9	178.0°	180.0°
C11	C10	C9	O2	76.0°	0.0°
C11	C10	C9	N	101.3°	180.0°
C10	C11	C12	H10	179.3°	180.0°
C11	C10	C14	H11	121.2°	122.0°
C11	C10	C14	H12	122.1°	122.0°
C10	C9	O2	N	177.2°	180.0°
C10	C9	N	C8	167.9°	180.0°
C10	C9	N	H7	12.1°	0.0°
C9	C10	C11	H8	2.0°	0.0°
C9	C10	C14	H11	57.2°	58.1°
C9	C10	C14	H12	59.5°	58.0°
O2	C9	N	C8	9.4°	0.0°
O2	C9	N	H7	170.6°	180.0°
C9	N	C8	H7	180.0°	180.0°
C9	N	C8	C7	155.2°	180.0°
C9	N	C8	H5	84.4°	60.0°
C9	N	C8	H6	34.9°	60.0°
N	C8	C7	H5	120.3°	120.0°
N	C8	C7	H6	120.3°	120.0°
N	C8	C7	O1	38.4°	65.0°
N	C8	C7	H3	158.0°	175.0°
N	C8	C7	H4	81.3°	55.0°
N	C8	H5	H6	118.9°	120.0°
C5	C4	C3	H1	180.0°	179.7°
C4	C5	C6	H2	180.0°	180.0°
C5	C4	C3	C2	0.6°	0.0°
C4	C5	C6	O1	173.3°	180.0°
C4	C5	C6	C1	1.8°	0.0°
C5	C4	C3	H16	179.5°	180.0°
C3	C4	C5	C6	0.8°	0.0°
C4	C3	C2	H16	180.0°	180.0°
C4	C3	C2	C1	0.9°	0.0°
C3	C4	C5	H2	179.2°	180.0°
C4	C3	C2	H9	179.1°	180.0°
C5	C6	O1	C1	175.3°	180.0°
C5	C6	O1	C7	21.8°	0.0°
C5	C6	C1	C2	1.4°	0.0°
C5	C6	C1	O	179.5°	180.0°
C6	C5	C4	H1	179.2°	179.7°
C3	C2	C1	C6	0.1°	0.0°
C3	C2	C1	H9	180.0°	180.0°
C3	C2	C1	O	179.1°	180.0°
C2	C3	C4	H1	179.4°	179.7°
C8	C7	O1	C6	173.6°	180.0°
C8	C7	O1	H3	119.7°	119.9°
C8	C7	O1	H4	119.6°	120.0°
C8	C7	H3	H4	121.1°	119.9°
C7	C8	H5	H6	119.0°	120.1°
C7	C8	N	H7	24.8°	0.0°
O1	C6	C1	C2	174.1°	180.0°
O1	C6	C1	O	4.9°	0.0°
O1	C6	C5	H2	6.7°	0.0°
C6	O1	C7	H3	66.7°	60.0°
C6	O1	C7	H4	54.0°	60.0°
C7	O1	C6	C1	162.9°	180.0°
O1	C7	H3	H4	121.1°	120.1°
O1	C7	C8	H5	82.0°	175.0°
O1	C7	C8	H6	158.7°	55.0°
C6	C1	C2	O	179.0°	180.0°
C6	C1	O	C	176.1°	180.0°
C1	C6	C5	H2	178.2°	180.0°
C6	C1	C2	H9	179.9°	180.0°
C2	C1	O	C	3.0°	0.0°
C1	C2	C3	H16	179.1°	180.0°
O	C1	C2	H9	0.9°	0.0°
C1	O	C	H13	180.0°	180.0°
C1	O	C	H14	60.0°	60.0°
C1	O	C	H15	60.0°	60.0°
O	C	H13	H14	120.0°	120.0°
O	C	H13	H15	120.0°	120.0°
O	C	H14	H15	120.0°	120.0°
H1	C4	C5	H2	0.8°	0.3°
H1	C4	C3	H16	0.6°	0.3°
H3	C7	C8	H5	37.7°	55.0°
H3	C7	C8	H6	81.6°	65.0°
H4	C7	C8	H5	158.4°	65.0°
H4	C7	C8	H6	39.1°	175.0°
H5	C8	N	H7	95.5°	120.0°
H6	C8	N	H7	145.2°	120.1°
H8	C11	C12	H10	0.7°	0.1°
H9	C2	C3	H16	0.9°	0.0°
H13	C	H14	H15	120.0°	120.0°

Release date:	2023-11-08
Definition date:	2023-08-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GCO