SNZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C10	sing	1.36Å	1.36Å
C10	C11	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
O2	C9	sing	1.36Å	1.36Å
C9	C8	doub	1.38Å	1.39Å	Aromatic
C12	C7	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.51Å	1.51Å
C6	C5	sing	1.53Å	1.53Å
C5	N1	sing	1.46Å	1.45Å
N1	C4	sing	1.35Å	1.34Å
C1	C2	doub	1.38Å	1.38Å	Aromatic
C1	C	sing	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.39Å	1.39Å	Aromatic
C4	O1	doub	1.22Å	1.23Å
C4	N	sing	1.35Å	1.36Å
O	C	sing	1.36Å	1.35Å
C	C14	doub	1.39Å	1.39Å	Aromatic
N	C3	sing	1.40Å	1.41Å
C3	C13	doub	1.39Å	1.39Å	Aromatic
C14	C13	sing	1.39Å	1.39Å	Aromatic
C14	O4	sing	1.36Å	1.36Å
N	H1	sing	0.97Å	1.00Å
O	H2	sing	0.97Å	0.95Å
C1	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C2	H7	sing	1.08Å	1.08Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.08Å	1.08Å
N1	H13	sing	0.97Å	1.00Å
O2	H14	sing	0.97Å	0.95Å
O3	H15	sing	0.97Å	0.95Å
O4	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C10	C11	120.6°	120.1°
O3	C10	C9	119.9°	120.0°
C10	O3	H15	109.5°	114.0°
C11	C10	C9	119.5°	119.8°
C10	C11	C12	120.2°	120.0°
C10	C11	H4	119.9°	120.0°
C10	C9	O2	119.1°	120.1°
C10	C9	C8	119.8°	119.9°
C11	C12	C7	121.0°	120.1°
C12	C11	H4	119.9°	120.0°
C11	C12	H5	119.5°	120.0°
O2	C9	C8	121.1°	120.1°
C9	O2	H14	109.5°	114.0°
C9	C8	C7	120.9°	120.0°
C9	C8	H12	119.6°	120.0°
C12	C7	C8	118.7°	120.1°
C12	C7	C6	120.6°	119.9°
C7	C12	H5	119.5°	119.9°
C8	C7	C6	120.7°	120.0°
C7	C8	H12	119.6°	119.9°
C7	C6	C5	112.4°	109.5°
C7	C6	H10	108.7°	109.5°
C7	C6	H11	108.7°	109.5°
C6	C5	N1	110.9°	109.5°
C6	C5	H8	109.1°	109.5°
C6	C5	H9	109.1°	109.4°
C5	C6	H10	108.7°	109.4°
C5	C6	H11	108.7°	109.5°
C5	N1	C4	118.5°	120.0°
N1	C5	H8	109.1°	109.5°
N1	C5	H9	109.1°	109.5°
C5	N1	H13	120.8°	120.0°
N1	C4	O1	122.2°	120.0°
N1	C4	N	114.0°	120.0°
C4	N1	H13	120.7°	120.0°
C2	C1	C	120.4°	120.1°
C1	C2	C3	120.2°	120.1°
C2	C1	H3	119.8°	119.9°
C1	C2	H7	119.9°	120.0°
C1	C	O	121.9°	120.0°
C1	C	C14	119.6°	120.0°
C	C1	H3	119.8°	120.0°
C2	C3	N	120.1°	120.0°
C2	C3	C13	119.8°	120.0°
C3	C2	H7	119.9°	120.0°
O1	C4	N	123.4°	120.0°
C4	N	C3	124.5°	120.0°
C4	N	H1	117.7°	120.0°
O	C	C14	118.6°	120.0°
C	O	H2	109.5°	114.0°
C	C14	C13	120.0°	119.9°
C	C14	O4	119.1°	120.0°
N	C3	C13	120.1°	120.0°
C3	N	H1	117.8°	120.0°
C3	C13	C14	120.0°	120.0°
C3	C13	H6	120.0°	120.0°
C13	C14	O4	120.8°	120.1°
C14	C13	H6	120.0°	120.0°
C14	O4	H16	109.5°	114.1°
H8	C5	H9	109.5°	109.5°
H10	C6	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C10	C11	C9	178.7°	179.6°
O3	C10	C11	C12	177.8°	179.7°
O3	C10	C9	O2	2.2°	0.4°
O3	C10	C9	C8	177.8°	179.7°
O3	C10	C11	H4	2.2°	0.4°
C10	C11	C12	H4	180.0°	179.9°
C11	C10	C9	O2	179.1°	180.0°
C11	C10	C9	C8	0.9°	0.1°
C10	C11	C12	C7	0.2°	0.0°
C10	C11	C12	H5	179.8°	180.0°
C11	C10	O3	H15	180.0°	90.0°
C9	C10	C11	C12	0.9°	0.1°
C10	C9	O2	C8	180.0°	179.9°
C10	C9	C8	C7	0.1°	0.1°
C9	C10	C11	H4	179.1°	180.0°
C10	C9	C8	H12	179.8°	179.9°
C10	C9	O2	H14	180.0°	90.0°
C9	C10	O3	H15	1.3°	90.4°
C11	C12	C7	H5	180.0°	180.0°
C11	C12	C7	C8	1.2°	0.0°
C11	C12	C7	C6	175.7°	180.0°
O2	C9	C8	C7	179.9°	180.0°
O2	C9	C8	H12	0.1°	0.0°
C9	C8	C7	C12	1.2°	0.1°
C9	C8	C7	H12	180.0°	180.0°
C9	C8	C7	C6	175.8°	180.0°
C8	C9	O2	H14	0.0°	89.9°
C12	C7	C8	C6	177.0°	180.0°
C12	C7	C6	C5	82.9°	90.0°
C7	C12	C11	H4	179.8°	180.0°
C12	C7	C6	H10	37.6°	30.0°
C12	C7	C6	H11	156.7°	150.0°
C12	C7	C8	H12	178.8°	180.0°
C8	C7	C6	C5	94.1°	90.0°
C8	C7	C12	H5	178.8°	180.0°
C8	C7	C6	H10	145.5°	150.0°
C8	C7	C6	H11	26.4°	30.0°
C7	C6	C5	H10	120.4°	120.0°
C7	C6	C5	H11	120.4°	120.0°
C7	C6	C5	N1	117.2°	180.0°
C6	C7	C12	H5	4.3°	0.0°
C7	C6	C5	H8	3.0°	60.0°
C7	C6	C5	H9	122.5°	60.0°
C7	C6	H10	H11	118.7°	120.0°
C6	C7	C8	H12	4.2°	0.0°
C6	C5	N1	H8	120.2°	120.0°
C6	C5	N1	H9	120.2°	119.9°
C6	C5	N1	C4	59.7°	180.0°
C6	C5	H8	H9	119.3°	119.9°
C5	C6	H10	H11	118.7°	119.9°
C6	C5	N1	H13	120.3°	0.0°
C5	N1	C4	H13	180.0°	180.0°
C5	N1	C4	O1	29.6°	0.1°
C5	N1	C4	N	143.4°	180.0°
N1	C5	H8	H9	119.3°	120.0°
N1	C5	C6	H10	122.3°	60.0°
N1	C5	C6	H11	3.2°	59.9°
N1	C4	O1	N	172.4°	179.9°
N1	C4	N	C3	126.9°	174.6°
N1	C4	N	H1	53.1°	5.6°
C4	N1	C5	H8	179.9°	59.9°
C4	N1	C5	H9	60.5°	60.1°
C2	C1	C	H3	180.0°	179.9°
C1	C2	C3	H7	180.0°	179.9°
C2	C1	C	O	178.4°	179.7°
C2	C1	C	C14	0.7°	0.0°
C1	C2	C3	N	175.5°	180.0°
C1	C2	C3	C13	1.7°	0.3°
C	C1	C2	C3	0.4°	0.0°
C1	C	O	C14	179.1°	179.7°
C1	C	C14	C13	0.5°	0.3°
C1	C	C14	O4	179.4°	179.7°
C1	C	O	H2	180.0°	89.7°
C	C1	C2	H7	179.5°	179.9°
C2	C3	N	C4	5.9°	33.3°
C2	C3	N	C13	177.2°	179.7°
C2	C3	C13	C14	1.9°	0.5°
C2	C3	N	H1	174.1°	146.9°
C3	C2	C1	H3	179.6°	179.9°
C2	C3	C13	H6	178.1°	180.0°
O1	C4	N	C3	46.1°	5.3°
O1	C4	N	H1	133.9°	174.5°
O1	C4	N1	H13	150.4°	179.9°
C4	N	C3	H1	180.0°	179.8°
C4	N	C3	C13	176.9°	147.0°
N	C4	N1	H13	36.6°	0.0°
O	C	C14	C13	178.6°	180.0°
O	C	C14	O4	0.3°	0.0°
O	C	C1	H3	1.6°	0.4°
C	C14	C13	C3	0.7°	0.5°
C	C14	C13	O4	178.9°	180.0°
C14	C	O	H2	0.9°	90.0°
C14	C	C1	H3	179.3°	180.0°
C	C14	C13	H6	179.3°	180.0°
C	C14	O4	H16	180.0°	90.0°
N	C3	C13	C14	175.4°	179.7°
N	C3	C13	H6	4.6°	0.3°
N	C3	C2	H7	4.5°	0.1°
C3	C13	C14	H6	180.0°	179.4°
C3	C13	C14	O4	178.1°	179.5°
C13	C3	N	H1	3.1°	32.8°
C13	C3	C2	H7	178.2°	179.7°
C13	C14	O4	H16	1.1°	90.0°
O4	C14	C13	H6	1.9°	0.0°
H3	C1	C2	H7	0.4°	0.0°
H4	C11	C12	H5	0.2°	0.0°
H8	C5	C6	H10	117.4°	60.1°
H8	C5	C6	H11	123.4°	180.0°
H8	C5	N1	H13	0.1°	120.0°
H9	C5	C6	H10	2.1°	180.0°
H9	C5	C6	H11	117.0°	60.0°
H9	C5	N1	H13	119.5°	119.9°

Release date:	2020-09-16
Definition date:	2019-09-19
Last modified:	2020-09-11
Release status:	REL
Processing site:	RCSB
Derived from:	6UBV