WXL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C6	doub	1.31Å	1.33Å
C5	C4	sing	1.51Å	1.50Å
C6	C7	sing	1.51Å	1.50Å
C4	N3	sing	1.47Å	1.48Å
C7	P	sing	1.82Å	1.80Å
N1	C1	sing	1.37Å	1.33Å
O3	P	doub	1.48Å	1.50Å
N2	C1	doub	1.31Å	1.33Å
N2	C3	sing	1.35Å	1.35Å
C1	N	sing	1.36Å	1.37Å
P	O2	sing	1.61Å	1.55Å
P	O1	sing	1.61Å	1.55Å
N3	C3	sing	1.34Å	1.37Å	Aromatic
N3	C8	doub	1.31Å	1.34Å	Aromatic
C3	C2	doub	1.40Å	1.36Å	Aromatic
N	C	sing	1.35Å	1.38Å
C8	N4	sing	1.35Å	1.33Å	Aromatic
C2	C	sing	1.41Å	1.43Å
C2	N4	sing	1.38Å	1.39Å	Aromatic
C	O	doub	1.22Å	1.23Å
N4	C9	sing	1.47Å	1.47Å
C9	C10	sing	1.51Å	1.49Å
N5	C10	sing	1.37Å	1.37Å	Aromatic
N5	C17	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.34Å	1.42Å	Aromatic
C17	C16	doub	1.39Å	1.39Å	Aromatic
C17	C12	sing	1.41Å	1.41Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.46Å	1.44Å	Aromatic
C12	C13	doub	1.40Å	1.39Å	Aromatic
C15	C14	doub	1.39Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C14	CL	sing	1.74Å	1.74Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
N1	H5	sing	0.97Å	1.00Å
N1	H6	sing	0.97Å	1.00Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.08Å	1.08Å
N	H10	sing	0.97Å	1.00Å
C13	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.08Å	1.08Å
N5	H15	sing	0.97Å	1.00Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
O2	H18	sing	0.97Å	0.95Å
O1	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C5	C4	126.9°	120.0°
C5	C6	C7	126.4°	120.0°
C6	C5	H3	116.6°	120.0°
C5	C6	H4	116.8°	120.0°
C5	C4	N3	112.2°	109.5°
C5	C4	H1	108.8°	109.5°
C5	C4	H2	108.8°	109.5°
C4	C5	H3	116.5°	119.9°
C6	C7	P	113.5°	109.5°
C7	C6	H4	116.8°	120.0°
C6	C7	H7	108.5°	109.5°
C6	C7	H8	108.5°	109.5°
C4	N3	C3	126.7°	125.1°
C4	N3	C8	124.6°	125.1°
N3	C4	H1	108.8°	109.5°
N3	C4	H2	108.8°	109.5°
C7	P	O3	111.5°	109.4°
C7	P	O2	106.5°	109.5°
C7	P	O1	106.7°	109.5°
P	C7	H7	108.5°	109.5°
P	C7	H8	108.5°	109.5°
N1	C1	N2	119.6°	119.0°
N1	C1	N	116.9°	119.0°
C1	N1	H5	120.0°	120.0°
C1	N1	H6	120.0°	120.0°
O3	P	O2	111.5°	109.5°
O3	P	O1	113.3°	109.5°
C1	N2	C3	112.8°	121.0°
N2	C1	N	123.5°	122.0°
N2	C3	N3	125.8°	133.8°
N2	C3	C2	127.1°	119.3°
C1	N	C	125.3°	120.2°
C1	N	H10	117.4°	119.9°
O2	P	O1	107.0°	109.5°
P	O2	H18	109.5°	114.0°
P	O1	H19	109.5°	114.0°
C3	N3	C8	108.6°	109.8°
N3	C3	C2	107.1°	106.9°
N3	C8	N4	109.0°	110.0°
N3	C8	H9	125.5°	125.0°
C3	C2	C	120.8°	119.1°
C3	C2	N4	107.3°	106.2°
N	C	C2	110.5°	118.4°
N	C	O	120.7°	120.8°
C	N	H10	117.3°	119.9°
C8	N4	C2	108.0°	107.1°
C8	N4	C9	124.7°	126.5°
N4	C8	H9	125.5°	125.0°
C	C2	N4	131.9°	134.7°
C2	C	O	128.8°	120.8°
C2	N4	C9	126.6°	126.4°
N4	C9	C10	108.5°	109.5°
N4	C9	H16	109.7°	109.4°
N4	C9	H17	109.7°	109.4°
C9	C10	N5	121.4°	125.0°
C9	C10	C11	131.1°	125.0°
C10	C9	H16	109.7°	109.5°
C10	C9	H17	109.7°	109.5°
C10	N5	C17	110.5°	109.9°
N5	C10	C11	107.5°	110.0°
C10	N5	H15	124.8°	125.0°
N5	C17	C16	130.4°	133.4°
N5	C17	C12	107.9°	107.1°
C17	N5	H15	124.7°	125.1°
C10	C11	C12	107.5°	107.0°
C10	C11	H14	126.2°	126.5°
C16	C17	C12	121.7°	119.5°
C17	C16	C15	118.8°	119.9°
C17	C16	H13	120.6°	120.1°
C17	C12	C11	106.6°	106.0°
C17	C12	C13	118.7°	120.0°
C16	C15	C14	119.6°	120.7°
C16	C15	H12	120.2°	119.6°
C15	C16	H13	120.6°	120.0°
C11	C12	C13	134.6°	134.0°
C12	C11	H14	126.3°	126.5°
C12	C13	C14	119.1°	119.6°
C12	C13	H11	120.4°	120.2°
C15	C14	C13	122.0°	120.4°
C15	C14	CL	119.0°	119.8°
C14	C15	H12	120.2°	119.7°
C13	C14	CL	119.0°	119.8°
C14	C13	H11	120.4°	120.2°
H1	C4	H2	109.5°	109.5°
H5	N1	H6	120.0°	120.0°
H7	C7	H8	109.5°	109.5°
H16	C9	H17	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	C4	H3	180.0°	180.0°
C5	C6	C7	H4	180.0°	180.0°
C6	C5	C4	N3	106.4°	127.6°
C5	C6	C7	P	136.7°	126.4°
C6	C5	C4	H1	14.0°	112.4°
C6	C5	C4	H2	133.2°	7.6°
C5	C6	C7	H7	102.7°	113.7°
C5	C6	C7	H8	16.1°	6.3°
C4	C5	C6	C7	1.5°	7.6°
C5	C4	N3	H1	120.4°	120.0°
C5	C4	N3	H2	120.4°	120.0°
C5	C4	N3	C3	130.4°	85.0°
C5	C4	N3	C8	54.0°	94.9°
C5	C4	H1	H2	118.7°	120.0°
C4	C5	C6	H4	178.6°	172.4°
C6	C7	P	H7	120.6°	120.0°
C6	C7	P	H8	120.6°	120.0°
C6	C7	P	O3	80.3°	55.0°
C6	C7	P	O2	157.9°	175.0°
C6	C7	P	O1	43.9°	65.0°
C7	C6	C5	H3	178.6°	172.4°
C6	C7	H7	H8	118.2°	120.0°
C4	N3	C3	N2	3.4°	0.2°
C4	N3	C3	C8	176.2°	179.9°
C4	N3	C3	C2	175.2°	179.9°
C4	N3	C8	N4	175.8°	179.9°
N3	C4	H1	H2	118.7°	120.0°
N3	C4	C5	H3	73.7°	52.4°
C4	N3	C8	H9	4.2°	0.1°
C7	P	O3	O2	118.9°	120.0°
C7	P	O3	O1	120.3°	120.0°
C7	P	O2	O1	113.8°	120.0°
P	C7	C6	H4	43.3°	53.7°
P	C7	H7	H8	118.2°	120.0°
C7	P	O2	H18	121.8°	179.9°
C7	P	O1	H19	123.1°	60.0°
N1	C1	N2	N	179.6°	180.0°
N1	C1	N2	C3	179.3°	180.0°
N1	C1	N	C	179.3°	179.9°
C1	N1	H5	H6	180.0°	180.0°
N1	C1	N	H10	0.7°	0.1°
O3	P	O2	O1	124.4°	120.1°
O3	P	C7	H7	40.3°	65.0°
O3	P	C7	H8	159.1°	175.1°
O3	P	O2	H18	0.0°	60.0°
O3	P	O1	H19	0.0°	180.0°
C1	N2	C3	N3	177.6°	179.5°
C1	N2	C3	C2	0.7°	0.1°
N2	C1	N	C	0.3°	0.1°
N2	C1	N1	H5	0.0°	0.0°
N2	C1	N1	H6	180.0°	180.0°
N2	C1	N	H10	179.7°	180.0°
C3	N2	C1	N	0.3°	0.0°
N2	C3	N3	C2	178.6°	179.6°
N2	C3	N3	C8	179.6°	179.9°
N2	C3	C2	C	1.2°	0.1°
N2	C3	C2	N4	179.7°	180.0°
C1	N	C	H10	180.0°	179.9°
C1	N	C	C2	0.6°	0.1°
C1	N	C	O	177.7°	180.0°
N	C1	N1	H5	179.6°	180.0°
N	C1	N1	H6	0.4°	0.1°
O2	P	C7	H7	81.5°	55.0°
O2	P	C7	H8	37.3°	65.0°
O2	P	O1	H19	123.3°	60.0°
O1	P	C7	H7	164.5°	175.0°
O1	P	C7	H8	76.7°	55.1°
O1	P	O2	H18	124.4°	60.1°
C3	N3	C8	N4	0.5°	0.0°
N3	C3	C2	C	177.4°	179.6°
N3	C3	C2	N4	1.1°	0.3°
C3	N3	C4	H1	109.2°	35.0°
C3	N3	C4	H2	10.0°	155.0°
C3	N3	C8	H9	179.5°	179.8°
C8	N3	C3	C2	1.0°	0.2°
N3	C8	N4	H9	180.0°	179.8°
N3	C8	N4	C2	0.2°	0.2°
N3	C8	N4	C9	171.1°	179.8°
C8	N3	C4	H1	66.4°	145.1°
C8	N3	C4	H2	174.4°	25.1°
C3	C2	C	N	1.0°	0.0°
C3	C2	N4	C8	0.9°	0.3°
C3	C2	C	N4	178.1°	179.8°
C3	C2	C	O	177.1°	179.9°
C3	C2	N4	C9	171.5°	179.7°
N	C	C2	O	178.1°	180.0°
N	C	C2	N4	179.1°	179.9°
C8	N4	C2	C	177.4°	179.6°
C8	N4	C2	C9	170.6°	180.0°
C8	N4	C9	C10	92.7°	95.0°
C8	N4	C9	H16	27.1°	145.0°
C8	N4	C9	H17	147.4°	25.0°
C	C2	N4	C9	6.8°	0.5°
C2	C	N	H10	179.4°	180.0°
N4	C2	C	O	1.0°	0.1°
C2	N4	C9	C10	98.1°	85.0°
C2	N4	C8	H9	179.8°	180.0°
C2	N4	C9	H16	142.1°	34.9°
C2	N4	C9	H17	21.8°	155.0°
O	C	N	H10	2.3°	0.1°
N4	C9	C10	H16	119.8°	120.0°
N4	C9	C10	H17	119.8°	119.9°
N4	C9	C10	N5	74.7°	95.0°
N4	C9	C10	C11	104.4°	85.3°
C9	N4	C8	H9	8.9°	0.0°
N4	C9	H16	H17	120.4°	120.0°
C9	C10	N5	C11	179.3°	179.7°
C9	C10	N5	C17	179.3°	180.0°
C9	C10	C11	C12	178.6°	179.8°
C9	C10	C11	H14	1.4°	0.1°
C9	C10	N5	H15	0.7°	0.3°
C10	C9	H16	H17	120.5°	120.1°
C10	N5	C17	H15	180.0°	179.7°
C10	N5	C17	C16	176.9°	179.9°
C10	N5	C17	C12	0.6°	0.3°
N5	C10	C11	C12	0.6°	0.1°
N5	C10	C11	H14	179.4°	179.8°
N5	C10	C9	H16	45.1°	145.1°
N5	C10	C9	H17	165.4°	25.0°
C17	N5	C10	C11	0.0°	0.2°
N5	C17	C16	C12	175.8°	179.8°
N5	C17	C16	C15	174.5°	180.0°
N5	C17	C12	C11	1.0°	0.2°
N5	C17	C12	C13	176.4°	179.9°
N5	C17	C16	H13	5.5°	0.1°
C10	C11	C12	C17	1.0°	0.1°
C10	C11	C12	H14	180.0°	179.9°
C10	C11	C12	C13	175.8°	179.7°
C11	C10	N5	H15	180.0°	180.0°
C11	C10	C9	H16	135.7°	34.6°
C11	C10	C9	H17	15.4°	154.7°
C17	C16	C15	H13	180.0°	179.9°
C16	C17	C12	C11	177.6°	180.0°
C16	C17	C12	C13	0.3°	0.3°
C17	C16	C15	C14	1.3°	0.1°
C17	C16	C15	H12	178.7°	180.0°
C16	C17	N5	H15	3.1°	0.2°
C12	C17	C16	C15	1.4°	0.2°
C17	C12	C11	C13	176.8°	179.7°
C17	C12	C13	C14	1.0°	0.0°
C17	C12	C13	H11	179.1°	180.0°
C12	C17	C16	H13	178.6°	179.7°
C17	C12	C11	H14	179.0°	180.0°
C12	C17	N5	H15	179.4°	180.0°
C16	C15	C14	H12	180.0°	179.9°
C16	C15	C14	C13	0.1°	0.3°
C16	C15	C14	CL	178.6°	180.0°
C11	C12	C13	C14	175.5°	179.6°
C11	C12	C13	H11	4.5°	0.3°
C12	C13	C14	C15	1.1°	0.3°
C12	C13	C14	H11	180.0°	180.0°
C12	C13	C14	CL	179.7°	180.0°
C13	C12	C11	H14	4.2°	0.4°
C15	C14	C13	CL	178.7°	179.7°
C15	C14	C13	H11	178.9°	179.8°
C14	C15	C16	H13	178.7°	180.0°
C13	C14	C15	H12	179.9°	179.8°
CL	C14	C13	H11	0.3°	0.1°
CL	C14	C15	H12	1.4°	0.1°
H1	C4	C5	H3	165.9°	67.6°
H2	C4	C5	H3	46.8°	172.4°
H3	C5	C6	H4	1.4°	7.6°
H4	C6	C7	H7	77.3°	66.3°
H4	C6	C7	H8	163.9°	173.7°
H12	C15	C16	H13	1.2°	0.1°

Release date:	2023-06-21
Definition date:	2023-05-22
Last modified:	2023-06-16
Release status:	REL
Processing site:	RCSB
Derived from:	8SX4