ODZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C9	sing	1.36Å	1.37Å
C8	C9	doub	1.39Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.40Å	Aromatic
C9	C10	sing	1.39Å	1.42Å	Aromatic
C	C1	doub	1.32Å	1.34Å
C7	C6	doub	1.38Å	1.42Å	Aromatic
O2	C4	doub	1.21Å	1.27Å
C10	C11	doub	1.38Å	1.41Å	Aromatic
C2	C1	sing	1.51Å	1.52Å
C2	C3	sing	1.53Å	1.53Å
O3	C12	doub	1.21Å	1.23Å
C1	O	sing	1.36Å	1.34Å
C6	C11	sing	1.38Å	1.40Å	Aromatic
C6	C5	sing	1.51Å	1.48Å
C4	C5	sing	1.51Å	1.53Å
C4	N	sing	1.35Å	1.33Å
C12	C3	sing	1.51Å	1.53Å
C3	N	sing	1.46Å	1.47Å
C3	C13	sing	1.53Å	1.53Å
O1	H1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
O	H13	sing	0.97Å	0.95Å
C	H14	sing	1.08Å	1.08Å
C	H15	sing	1.08Å	1.08Å
N	H16	sing	0.97Å	1.00Å
C11	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C9	C8	118.9°	120.0°
O1	C9	C10	120.5°	120.1°
C9	O1	H1	109.5°	113.9°
C9	C8	C7	119.3°	119.9°
C8	C9	C10	120.5°	119.9°
C9	C8	H7	120.3°	120.0°
C8	C7	C6	119.5°	120.1°
C8	C7	H6	120.3°	120.0°
C7	C8	H7	120.4°	120.1°
C9	C10	C11	121.8°	119.9°
C9	C10	H8	119.1°	120.0°
C	C1	C2	115.7°	120.0°
C	C1	O	117.9°	120.0°
C1	C	H14	120.0°	120.0°
C1	C	H15	120.0°	120.0°
C7	C6	C11	122.3°	120.1°
C7	C6	C5	123.6°	119.9°
C6	C7	H6	120.2°	120.0°
O2	C4	C5	117.7°	120.0°
O2	C4	N	120.9°	119.9°
C10	C11	C6	116.5°	120.1°
C11	C10	H8	119.1°	120.1°
C10	C11	H17	121.7°	119.9°
C1	C2	C3	110.9°	109.5°
C2	C1	O	126.4°	120.0°
C1	C2	H2	109.1°	109.5°
C1	C2	H3	109.1°	109.5°
C2	C3	C12	109.5°	109.4°
C2	C3	N	113.8°	109.5°
C2	C3	C13	112.0°	109.4°
C3	C2	H2	109.1°	109.5°
C3	C2	H3	109.1°	109.5°
O3	C12	C3	125.2°	120.0°
O3	C12	H9	117.4°	120.0°
C1	O	H13	109.5°	114.0°
C11	C6	C5	113.7°	120.0°
C6	C11	H17	121.8°	120.0°
C6	C5	C4	108.7°	109.5°
C6	C5	H4	109.6°	109.5°
C6	C5	H5	109.7°	109.5°
C5	C4	N	120.9°	120.1°
C4	C5	H4	109.7°	109.5°
C4	C5	H5	109.7°	109.4°
C4	N	C3	125.6°	120.0°
C4	N	H16	117.2°	119.9°
C12	C3	N	111.2°	109.5°
C12	C3	C13	104.5°	109.5°
C3	C12	H9	117.4°	120.0°
N	C3	C13	105.4°	109.5°
C3	N	H16	117.2°	120.0°
C3	C13	H10	109.5°	109.5°
C3	C13	H11	109.5°	109.5°
C3	C13	H12	109.4°	109.5°
H2	C2	H3	109.4°	109.4°
H4	C5	H5	109.5°	109.5°
H10	C13	H11	109.4°	109.4°
H10	C13	H12	109.5°	109.4°
H11	C13	H12	109.5°	109.5°
H14	C	H15	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C9	C8	C10	179.3°	179.9°
O1	C9	C8	C7	179.1°	179.9°
O1	C9	C10	C11	179.7°	179.9°
O1	C9	C8	H7	0.9°	0.1°
O1	C9	C10	H8	0.3°	0.1°
C9	C8	C7	H7	180.0°	179.9°
C9	C8	C7	C6	0.6°	0.0°
C8	C9	C10	C11	1.0°	0.1°
C8	C9	O1	H1	180.0°	90.1°
C9	C8	C7	H6	179.4°	179.9°
C8	C9	C10	H8	179.0°	179.9°
C7	C8	C9	C10	0.2°	0.1°
C8	C7	C6	H6	180.0°	179.9°
C8	C7	C6	C11	2.9°	0.0°
C8	C7	C6	C5	175.0°	179.8°
C9	C10	C11	H8	180.0°	180.0°
C9	C10	C11	C6	3.0°	0.0°
C10	C9	O1	H1	0.7°	90.0°
C10	C9	C8	H7	179.8°	180.0°
C9	C10	C11	H17	176.9°	179.7°
C	C1	C2	O	179.4°	179.6°
C	C1	C2	C3	165.8°	94.7°
C	C1	C2	H2	74.0°	145.3°
C	C1	C2	H3	45.6°	25.4°
C	C1	O	H13	180.0°	0.3°
C1	C	H14	H15	180.0°	179.9°
C7	C6	C11	C10	4.0°	0.0°
C7	C6	C11	C5	172.9°	179.8°
C7	C6	C5	C4	84.7°	89.8°
C7	C6	C5	H4	35.2°	150.3°
C7	C6	C5	H5	155.4°	30.2°
C6	C7	C8	H7	179.4°	180.0°
C7	C6	C11	H17	176.0°	179.8°
O2	C4	C5	C6	53.3°	0.0°
O2	C4	C5	N	172.3°	180.0°
O2	C4	N	C3	3.0°	0.1°
O2	C4	C5	H4	66.6°	120.0°
O2	C4	C5	H5	173.2°	120.0°
O2	C4	N	H16	177.0°	180.0°
C10	C11	C6	H17	180.0°	179.7°
C10	C11	C6	C5	176.8°	179.8°
C1	C2	C3	H2	120.2°	120.0°
C1	C2	C3	H3	120.2°	120.0°
C1	C2	C3	C12	164.6°	60.0°
C1	C2	C3	N	39.5°	180.0°
C1	C2	C3	C13	80.0°	60.0°
C1	C2	H2	H3	119.3°	120.0°
C2	C1	O	H13	0.7°	179.9°
C2	C1	C	H14	179.4°	0.4°
C2	C1	C	H15	0.6°	179.8°
C2	C3	C12	O3	34.2°	0.0°
C3	C2	C1	O	14.8°	85.0°
C2	C3	N	C4	57.6°	180.0°
C2	C3	C12	N	126.6°	120.0°
C2	C3	C12	C13	120.1°	119.9°
C2	C3	N	C13	123.1°	120.0°
C3	C2	H2	H3	119.3°	120.0°
C2	C3	C12	H9	145.8°	180.0°
C2	C3	C13	H10	180.0°	60.0°
C2	C3	C13	H11	60.0°	180.0°
C2	C3	C13	H12	60.0°	60.0°
C2	C3	N	H16	122.4°	0.0°
O3	C12	C3	H9	180.0°	180.0°
O3	C12	C3	N	160.8°	120.0°
O3	C12	C3	C13	85.9°	120.0°
O	C1	C2	H2	105.4°	35.0°
O	C1	C2	H3	135.0°	155.0°
O	C1	C	H14	0.0°	180.0°
O	C1	C	H15	180.0°	0.1°
C11	C6	C5	C4	88.1°	90.0°
C11	C6	C5	H4	152.0°	30.0°
C11	C6	C5	H5	31.8°	150.0°
C11	C6	C7	H6	177.1°	179.9°
C6	C11	C10	H8	176.9°	180.0°
C6	C5	C4	H4	119.9°	120.0°
C6	C5	C4	H5	119.9°	120.0°
C6	C5	C4	N	134.5°	180.0°
C6	C5	H4	H5	120.3°	120.0°
C5	C6	C7	H6	5.0°	0.1°
C5	C6	C11	H17	3.1°	0.0°
C5	C4	N	C3	175.0°	180.0°
C4	C5	H4	H5	120.4°	120.0°
C5	C4	N	H16	5.0°	0.1°
C4	N	C3	C12	66.7°	60.1°
C4	N	C3	H16	180.0°	179.9°
C4	N	C3	C13	179.3°	60.0°
N	C4	C5	H4	105.7°	60.0°
N	C4	C5	H5	14.6°	60.0°
C12	C3	N	C13	112.7°	120.0°
C12	C3	C2	H2	75.2°	60.0°
C12	C3	C2	H3	44.4°	180.0°
C12	C3	C13	H10	61.6°	60.0°
C12	C3	C13	H11	178.4°	60.0°
C12	C3	C13	H12	58.4°	180.0°
C12	C3	N	H16	113.3°	120.0°
N	C3	C2	H2	159.7°	60.0°
N	C3	C2	H3	80.8°	60.0°
N	C3	C12	H9	19.2°	60.0°
N	C3	C13	H10	55.7°	180.0°
N	C3	C13	H11	64.3°	60.0°
N	C3	C13	H12	175.7°	60.0°
C13	C3	C2	H2	40.3°	180.0°
C13	C3	C2	H3	159.8°	60.1°
C13	C3	C12	H9	94.1°	60.0°
C3	C13	H10	H11	120.0°	120.0°
C3	C13	H10	H12	120.0°	120.0°
C3	C13	H11	H12	120.0°	120.0°
C13	C3	N	H16	0.6°	120.0°
H6	C7	C8	H7	0.6°	0.1°
H8	C10	C11	H17	3.1°	0.3°
H10	C13	H11	H12	120.0°	119.9°

Release date:	2020-06-24
Definition date:	2020-02-28
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBE
Derived from:	6Y6U