SLJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	N3	sing	1.28Å	1.35Å	Aromatic
N2	C13	doub	1.32Å	1.36Å	Aromatic
N3	C14	sing	1.37Å	1.33Å	Aromatic
C13	C16	sing	1.41Å	1.39Å	Aromatic
C13	C12	sing	1.47Å	1.40Å	Aromatic
C16	C17	doub	1.36Å	1.39Å	Aromatic
O1	C15	doub	1.22Å	1.30Å
C14	C12	doub	1.40Å	1.42Å	Aromatic
C14	C15	sing	1.42Å	1.46Å
C12	C11	sing	1.40Å	1.40Å	Aromatic
C15	O2	sing	1.35Å	1.24Å
C17	C10	sing	1.40Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.40Å	Aromatic
C10	N1	sing	1.39Å	1.42Å
N1	C9	sing	1.47Å	1.46Å
N1	C8	sing	1.46Å	1.46Å
C6	C5	doub	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.51Å	1.51Å
C7	C3	doub	1.39Å	1.43Å	Aromatic
C4	N	doub	1.32Å	1.34Å	Aromatic
C3	N	sing	1.32Å	1.31Å	Aromatic
C3	O	sing	1.36Å	1.33Å
O	C2	sing	1.43Å	1.45Å
C2	C1	sing	1.53Å	1.42Å
C1	C	sing	1.53Å	1.57Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
O2	H12	sing	0.97Å	0.95Å
N3	H13	sing	0.97Å	1.00Å
C17	H14	sing	1.08Å	1.08Å
C6	H15	sing	1.08Å	1.08Å
C5	H16	sing	1.08Å	1.08Å
C4	H17	sing	1.08Å	1.08Å
C	H18	sing	1.09Å	1.10Å
C	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	N2	C13	112.0°	111.5°
N2	N3	C14	106.1°	111.6°
N2	N3	H13	127.0°	124.2°
N2	C13	C16	131.6°	135.2°
N2	C13	C12	106.4°	106.2°
N3	C14	C12	110.8°	106.2°
N3	C14	C15	120.9°	126.9°
C14	N3	H13	127.0°	124.2°
C16	C13	C12	122.0°	118.6°
C13	C16	C17	117.1°	119.8°
C13	C16	H11	121.5°	120.1°
C13	C12	C14	104.7°	104.5°
C13	C12	C11	120.2°	119.3°
C16	C17	C10	122.5°	121.8°
C17	C16	H11	121.5°	120.1°
C16	C17	H14	118.7°	119.1°
O1	C15	C14	115.2°	120.0°
O1	C15	O2	122.5°	120.0°
C12	C14	C15	128.3°	126.9°
C14	C12	C11	135.0°	136.2°
C14	C15	O2	122.2°	120.0°
C12	C11	C10	118.0°	119.3°
C12	C11	H10	121.0°	120.3°
C15	O2	H12	109.5°	114.0°
C17	C10	C11	120.1°	121.2°
C17	C10	N1	119.0°	119.4°
C10	C17	H14	118.8°	119.2°
C11	C10	N1	120.8°	119.4°
C10	C11	H10	121.0°	120.4°
C10	N1	C9	120.5°	120.0°
C10	N1	C8	118.1°	120.0°
C9	N1	C8	120.2°	120.0°
N1	C9	H7	109.5°	109.4°
N1	C9	H8	109.4°	109.5°
N1	C9	H9	109.5°	109.5°
N1	C8	C7	116.0°	109.5°
N1	C8	H5	107.8°	109.5°
N1	C8	H6	107.8°	109.5°
C5	C6	C7	119.6°	118.5°
C6	C5	C4	118.5°	119.3°
C5	C6	H15	120.2°	120.7°
C6	C5	H16	120.7°	120.3°
C6	C7	C8	123.2°	120.5°
C6	C7	C3	115.6°	119.1°
C7	C6	H15	120.2°	120.8°
C5	C4	N	124.3°	120.8°
C4	C5	H16	120.7°	120.4°
C5	C4	H17	117.8°	119.6°
C8	C7	C3	121.1°	120.4°
C7	C8	H5	107.8°	109.4°
C7	C8	H6	107.8°	109.5°
C7	C3	N	125.7°	120.6°
C7	C3	O	114.8°	119.7°
C4	N	C3	116.1°	121.7°
N	C4	H17	117.8°	119.6°
N	C3	O	119.3°	119.7°
C3	O	C2	116.3°	117.0°
O	C2	C1	104.8°	109.5°
O	C2	H3	110.6°	109.5°
O	C2	H4	110.7°	109.5°
C2	C1	C	107.7°	109.5°
C2	C1	H1	109.9°	109.5°
C2	C1	H2	109.9°	109.4°
C1	C2	H3	110.6°	109.4°
C1	C2	H4	110.6°	109.4°
C	C1	H1	109.9°	109.5°
C	C1	H2	109.9°	109.5°
C1	C	H18	109.5°	109.5°
C1	C	H19	109.5°	109.5°
C1	C	H20	109.5°	109.5°
H1	C1	H2	109.5°	109.4°
H3	C2	H4	109.4°	109.5°
H5	C8	H6	109.4°	109.4°
H7	C9	H8	109.5°	109.5°
H7	C9	H9	109.5°	109.5°
H8	C9	H9	109.5°	109.5°
H18	C	H19	109.5°	109.5°
H18	C	H20	109.4°	109.4°
H19	C	H20	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N3	C14	H13	180.0°	179.7°
N3	N2	C13	C16	177.9°	179.9°
N3	N2	C13	C12	1.2°	0.4°
N2	N3	C14	C12	1.5°	0.3°
N2	N3	C14	C15	178.2°	179.8°
C13	N2	N3	C14	1.6°	0.5°
N2	C13	C16	C12	178.9°	179.6°
N2	C13	C16	C17	179.6°	180.0°
N2	C13	C12	C14	0.2°	0.2°
N2	C13	C12	C11	178.7°	179.8°
N2	C13	C16	H11	0.4°	0.3°
C13	N2	N3	H13	178.4°	179.9°
N3	C14	C12	C13	0.8°	0.0°
N3	C14	C15	O1	6.3°	180.0°
N3	C14	C12	C15	179.6°	179.9°
N3	C14	C12	C11	179.5°	180.0°
N3	C14	C15	O2	178.3°	0.1°
C13	C16	C17	H11	180.0°	179.7°
C16	C13	C12	C14	178.9°	180.0°
C16	C13	C12	C11	2.1°	0.0°
C13	C16	C17	C10	0.6°	0.7°
C13	C16	C17	H14	179.4°	180.0°
C12	C13	C16	C17	1.4°	0.4°
C13	C12	C14	C11	178.8°	180.0°
C13	C12	C14	C15	178.9°	179.9°
C13	C12	C11	C10	0.7°	0.0°
C13	C12	C11	H10	179.3°	179.9°
C12	C13	C16	H11	178.5°	180.0°
C16	C17	C10	H14	180.0°	179.3°
C16	C17	C10	C11	2.0°	0.7°
C16	C17	C10	N1	179.5°	179.7°
O1	C15	C14	C12	174.1°	0.1°
O1	C15	C14	O2	175.4°	179.9°
O1	C15	O2	H12	0.0°	0.1°
C12	C14	C15	O2	1.3°	180.0°
C14	C12	C11	C10	179.3°	180.0°
C14	C12	C11	H10	0.7°	0.1°
C12	C14	N3	H13	178.5°	180.0°
C15	C14	C12	C11	0.1°	0.1°
C14	C15	O2	H12	175.1°	180.0°
C15	C14	N3	H13	1.8°	0.1°
C12	C11	C10	C17	1.3°	0.3°
C12	C11	C10	H10	180.0°	179.9°
C12	C11	C10	N1	179.8°	180.0°
C17	C10	C11	N1	178.5°	179.7°
C17	C10	N1	C9	5.9°	179.7°
C17	C10	N1	C8	173.4°	0.3°
C17	C10	C11	H10	178.7°	179.7°
C10	C17	C16	H11	179.4°	179.6°
C11	C10	N1	C9	175.6°	0.0°
C11	C10	N1	C8	8.1°	180.0°
C11	C10	C17	H14	178.0°	180.0°
C10	N1	C9	C8	167.3°	180.0°
C10	N1	C8	C7	85.9°	90.0°
C10	N1	C8	H5	35.1°	30.0°
C10	N1	C8	H6	153.1°	150.0°
C10	N1	C9	H7	180.0°	90.0°
C10	N1	C9	H8	60.0°	150.0°
C10	N1	C9	H9	60.0°	30.0°
N1	C10	C11	H10	0.2°	0.1°
N1	C10	C17	H14	0.5°	0.4°
C9	N1	C8	C7	106.5°	90.0°
C9	N1	C8	H5	132.5°	150.0°
C9	N1	C8	H6	14.5°	30.0°
N1	C9	H7	H8	120.0°	120.0°
N1	C9	H7	H9	120.0°	120.0°
N1	C9	H8	H9	120.0°	120.0°
N1	C8	C7	C6	13.8°	99.9°
N1	C8	C7	H5	121.0°	120.0°
N1	C8	C7	H6	121.0°	120.1°
N1	C8	C7	C3	168.0°	80.0°
N1	C8	H5	H6	117.0°	120.0°
C8	N1	C9	H7	12.7°	90.0°
C8	N1	C9	H8	107.2°	30.0°
C8	N1	C9	H9	132.8°	150.0°
C5	C6	C7	H15	180.0°	180.0°
C6	C5	C4	H16	180.0°	180.0°
C5	C6	C7	C8	176.6°	180.0°
C5	C6	C7	C3	1.7°	0.0°
C6	C5	C4	N	0.2°	0.0°
C6	C5	C4	H17	179.8°	180.0°
C7	C6	C5	C4	1.1°	0.0°
C6	C7	C8	C3	178.2°	180.0°
C6	C7	C3	N	1.3°	0.0°
C6	C7	C3	O	177.2°	179.8°
C6	C7	C8	H5	107.2°	20.0°
C6	C7	C8	H6	134.8°	140.0°
C7	C6	C5	H16	178.9°	180.0°
C5	C4	N	H17	180.0°	180.0°
C5	C4	N	C3	0.7°	0.0°
C4	C5	C6	H15	178.9°	180.0°
C8	C7	C3	N	177.1°	180.0°
C8	C7	C3	O	1.2°	0.2°
C7	C8	H5	H6	117.0°	120.0°
C8	C7	C6	H15	3.4°	0.0°
C7	C3	N	C4	0.0°	0.0°
C7	C3	N	O	175.7°	179.8°
C7	C3	O	C2	179.6°	179.7°
C3	C7	C8	H5	71.1°	160.0°
C3	C7	C8	H6	47.0°	40.0°
C3	C7	C6	H15	178.3°	180.0°
C4	N	C3	O	175.8°	179.8°
N	C4	C5	H16	179.8°	180.0°
N	C3	O	C2	3.4°	0.1°
C3	N	C4	H17	179.3°	180.0°
C3	O	C2	C1	178.5°	180.0°
C3	O	C2	H3	62.3°	59.9°
C3	O	C2	H4	59.2°	60.1°
O	C2	C1	H3	119.3°	120.1°
O	C2	C1	H4	119.3°	120.0°
O	C2	C1	C	172.9°	179.9°
O	C2	C1	H1	53.2°	60.0°
O	C2	C1	H2	67.3°	59.9°
O	C2	H3	H4	122.2°	120.0°
C2	C1	C	H1	119.7°	120.0°
C2	C1	C	H2	119.7°	120.0°
C2	C1	H1	H2	120.8°	119.9°
C1	C2	H3	H4	122.2°	119.9°
C2	C1	C	H18	180.0°	180.0°
C2	C1	C	H19	60.0°	60.0°
C2	C1	C	H20	60.0°	60.0°
C	C1	H1	H2	120.8°	120.0°
C	C1	C2	H3	67.8°	60.0°
C	C1	C2	H4	53.6°	60.0°
C1	C	H18	H19	120.0°	120.1°
C1	C	H18	H20	120.0°	120.0°
C1	C	H19	H20	120.0°	120.0°
H1	C1	C2	H3	172.5°	60.1°
H1	C1	C2	H4	66.1°	180.0°
H1	C1	C	H18	60.3°	59.9°
H1	C1	C	H19	179.7°	NaN°
H1	C1	C	H20	59.7°	60.0°
H2	C1	C2	H3	51.9°	180.0°
H2	C1	C2	H4	173.4°	60.0°
H2	C1	C	H18	60.3°	60.1°
H2	C1	C	H19	59.7°	60.0°
H2	C1	C	H20	179.7°	180.0°
H7	C9	H8	H9	120.0°	120.0°
H11	C16	C17	H14	0.5°	0.4°
H15	C6	C5	H16	1.1°	0.1°
H16	C5	C4	H17	0.2°	0.0°
H18	C	H19	H20	120.0°	119.9°

Release date:	2021-05-12
Definition date:	2020-03-11
Last modified:	2021-05-07
Release status:	REL
Processing site:	RCSB
Derived from:	6W44