AT5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C7	doub	1.21Å	1.25Å
C7	C8	sing	1.51Å	1.58Å
C7	C6	sing	1.41Å	1.56Å
C8	C11	sing	1.53Å	1.48Å
C8	C10	sing	1.53Å	1.55Å
C8	H8	sing	1.09Å	1.12Å
C11	C12	sing	1.53Å	1.49Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C12	C17	sing	1.53Å	1.58Å
C12	C13	sing	1.53Å	1.59Å
C12	H12	sing	1.09Å	1.12Å
C17	H171	sing	1.09Å	1.11Å
C17	H172	sing	1.09Å	1.12Å
C17	H173	sing	1.09Å	1.11Å
C13	CL12	sing	1.80Å	1.81Å
C13	C14	sing	1.53Å	1.59Å
C13	H13	sing	1.09Å	1.11Å
C14	CL16	sing	1.80Å	1.78Å
C14	H141	sing	1.09Å	1.11Å
C14	H142	sing	1.09Å	1.12Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.12Å
C10	H103	sing	1.09Å	1.11Å
C6	C5	sing	1.42Å	1.42Å	Aromatic
C6	C1	doub	1.41Å	1.53Å	Aromatic
C5	N4	sing	1.35Å	1.41Å	Aromatic
C5	O4	doub	1.22Å	1.35Å
N4	C3	sing	1.36Å	1.38Å	Aromatic
N4	HN4	sing	0.97Å	1.02Å
C3	C2	doub	1.38Å	1.49Å	Aromatic
C3	O3	sing	1.35Å	1.39Å
C2	C1	sing	1.40Å	1.42Å	Aromatic
C2	O2	sing	1.36Å	1.38Å
C1	O1	sing	1.35Å	1.34Å
O1	HO1	sing	0.97Å	0.95Å
O2	CM2	sing	1.43Å	1.47Å
CM2	HM21	sing	1.09Å	1.11Å
CM2	HM22	sing	1.09Å	1.11Å
CM2	HM23	sing	1.09Å	1.11Å
O3	CM3	sing	1.43Å	1.45Å
CM3	HM31	sing	1.09Å	1.12Å
CM3	HM32	sing	1.09Å	1.11Å
CM3	HM33	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C7	C8	117.4°	120.0°
O5	C7	C6	115.3°	120.0°
C8	C7	C6	127.3°	120.0°
C7	C8	C11	111.9°	109.5°
C7	C8	C10	109.0°	109.5°
C7	C8	H8	108.0°	109.5°
C7	C6	C5	119.8°	120.5°
C7	C6	C1	123.0°	120.5°
C11	C8	C10	108.9°	109.4°
C11	C8	H8	108.0°	109.5°
C8	C11	C12	117.6°	109.4°
C8	C11	H111	109.3°	109.5°
C8	C11	H112	109.3°	109.4°
C10	C8	H8	111.0°	109.5°
C8	C10	H101	112.4°	109.5°
C8	C10	H102	109.0°	109.5°
C8	C10	H103	112.4°	109.5°
C12	C11	H111	109.3°	109.5°
C12	C11	H112	109.3°	109.5°
C11	C12	C17	119.4°	109.5°
C11	C12	C13	109.7°	109.4°
C11	C12	H12	102.1°	109.5°
H111	C11	H112	100.9°	109.5°
C17	C12	C13	109.8°	109.5°
C17	C12	H12	102.1°	109.5°
C12	C17	H171	108.6°	109.5°
C12	C17	H172	119.4°	109.4°
C12	C17	H173	108.6°	109.5°
C13	C12	H12	113.4°	109.5°
C12	C13	CL12	112.0°	109.5°
C12	C13	C14	111.4°	109.5°
C12	C13	H13	105.8°	109.5°
H171	C17	H172	108.6°	109.5°
H171	C17	H173	101.4°	109.5°
H172	C17	H173	108.6°	109.5°
CL12	C13	C14	108.0°	109.5°
CL12	C13	H13	109.4°	109.5°
C14	C13	H13	110.1°	109.4°
C13	C14	CL16	112.8°	109.5°
C13	C14	H141	111.0°	109.5°
C13	C14	H142	111.0°	109.5°
CL16	C14	H141	110.9°	109.4°
CL16	C14	H142	111.0°	109.5°
H141	C14	H142	99.4°	109.4°
H101	C10	H102	112.4°	109.5°
H101	C10	H103	98.0°	109.5°
H102	C10	H103	112.4°	109.5°
C5	C6	C1	117.2°	119.0°
C6	C5	N4	123.0°	120.1°
C6	C5	O4	119.7°	119.9°
C6	C1	C2	116.1°	118.8°
C6	C1	O1	122.8°	120.6°
N4	C5	O4	117.3°	120.0°
C5	N4	C3	123.4°	121.2°
C5	N4	HN4	119.5°	119.3°
C3	N4	HN4	117.1°	119.4°
N4	C3	C2	115.6°	121.1°
N4	C3	O3	122.1°	119.5°
C2	C3	O3	122.3°	119.5°
C3	C2	C1	124.7°	119.8°
C3	C2	O2	116.7°	120.1°
C3	O3	CM3	120.3°	106.8°
C1	C2	O2	118.5°	120.0°
C2	C1	O1	121.1°	120.6°
C2	O2	CM2	113.9°	106.8°
C1	O1	HO1	122.8°	106.8°
O2	CM2	HM21	110.6°	109.5°
O2	CM2	HM22	113.9°	109.5°
O2	CM2	HM23	110.6°	109.5°
HM21	CM2	HM22	110.6°	109.5°
HM21	CM2	HM23	99.7°	109.5°
HM22	CM2	HM23	110.6°	109.4°
O3	CM3	HM31	108.3°	109.5°
O3	CM3	HM32	120.3°	109.5°
O3	CM3	HM33	108.3°	109.5°
HM31	CM3	HM32	108.3°	109.4°
HM31	CM3	HM33	101.6°	109.4°
HM32	CM3	HM33	108.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C7	C8	C6	178.2°	179.9°
O5	C7	C8	C11	119.9°	24.2°
O5	C7	C8	C10	0.6°	95.7°
O5	C7	C8	H8	121.3°	144.3°
O5	C7	C6	C5	31.1°	174.3°
O5	C7	C6	C1	148.1°	5.6°
C7	C8	C11	C10	120.6°	120.0°
C7	C8	C11	H8	118.7°	120.1°
C7	C8	C10	H8	118.8°	120.1°
C7	C8	C11	C12	128.4°	175.0°
C7	C8	C11	H111	3.1°	65.0°
C7	C8	C11	H112	106.4°	55.1°
C7	C8	C10	H101	54.8°	180.0°
C7	C8	C10	H102	180.0°	60.0°
C7	C8	C10	H103	54.7°	60.0°
C8	C7	C6	C5	150.6°	5.8°
C8	C7	C6	C1	30.1°	174.3°
C6	C7	C8	C11	61.8°	155.7°
C6	C7	C8	C10	177.6°	84.4°
C6	C7	C8	H8	56.9°	35.7°
C7	C6	C5	C1	179.3°	179.9°
C7	C6	C5	N4	179.1°	179.8°
C7	C6	C5	O4	0.5°	0.1°
C7	C6	C1	C2	179.2°	180.0°
C7	C6	C1	O1	0.6°	0.0°
C11	C8	C10	H8	118.8°	120.0°
C8	C11	C12	H111	125.3°	120.0°
C8	C11	C12	H112	125.2°	119.9°
C8	C11	H111	H112	115.0°	120.0°
C8	C11	C12	C17	150.5°	65.0°
C8	C11	C12	C13	81.6°	175.0°
C8	C11	C12	H12	39.0°	55.0°
C11	C8	C10	H101	67.6°	60.0°
C11	C8	C10	H102	57.6°	180.0°
C11	C8	C10	H103	177.1°	60.0°
C10	C8	C11	C12	111.0°	65.0°
C10	C8	C11	H111	123.7°	55.0°
C10	C8	C11	H112	14.2°	175.0°
C8	C10	H101	H102	123.4°	120.0°
C8	C10	H101	H103	118.3°	120.0°
C8	C10	H102	H103	125.3°	120.0°
H8	C8	C11	C12	9.7°	54.9°
H8	C8	C11	H111	115.6°	174.9°
H8	C8	C11	H112	134.9°	65.0°
H8	C8	C10	H101	173.6°	59.9°
H8	C8	C10	H102	61.2°	60.1°
H8	C8	C10	H103	64.1°	180.0°
C12	C11	H111	H112	115.0°	120.0°
C11	C12	C17	C13	127.9°	120.0°
C11	C12	C17	H12	111.5°	120.0°
C11	C12	C13	H12	113.5°	120.0°
C11	C12	C17	H171	54.7°	60.0°
C11	C12	C17	H172	180.0°	180.0°
C11	C12	C17	H173	54.7°	60.0°
C11	C12	C13	CL12	71.8°	65.0°
C11	C12	C13	C14	167.1°	175.0°
C11	C12	C13	H13	47.4°	55.0°
H111	C11	C12	C17	25.2°	175.0°
H111	C11	C12	C13	153.1°	55.0°
H111	C11	C12	H12	86.3°	64.9°
H112	C11	C12	C17	84.3°	55.0°
H112	C11	C12	C13	43.6°	65.0°
H112	C11	C12	H12	164.2°	175.0°
C17	C12	C13	H12	113.4°	120.0°
C12	C17	H171	H172	131.3°	120.0°
C12	C17	H171	H173	114.3°	120.0°
C12	C17	H172	H173	125.3°	120.0°
C17	C12	C13	CL12	61.3°	55.0°
C17	C12	C13	C14	59.8°	65.0°
C17	C12	C13	H13	179.5°	175.0°
C13	C12	C17	H171	177.3°	180.0°
C13	C12	C17	H172	52.1°	60.0°
C13	C12	C17	H173	73.2°	60.0°
C12	C13	CL12	C14	123.1°	120.0°
C12	C13	CL12	H13	117.1°	120.0°
C12	C13	C14	H13	117.1°	120.0°
C12	C13	C14	CL16	142.0°	180.0°
C12	C13	C14	H141	16.8°	60.0°
C12	C13	C14	H142	92.7°	59.9°
H12	C12	C17	H171	56.8°	60.0°
H12	C12	C17	H172	68.5°	60.0°
H12	C12	C17	H173	166.3°	180.0°
H12	C12	C13	CL12	174.8°	175.0°
H12	C12	C13	C14	53.6°	55.0°
H12	C12	C13	H13	66.0°	65.0°
H171	C17	H172	H173	109.5°	120.0°
CL12	C13	C14	H13	119.4°	120.0°
CL12	C13	C14	CL16	94.5°	60.0°
CL12	C13	C14	H141	140.2°	60.0°
CL12	C13	C14	H142	30.8°	180.0°
C13	C14	CL16	H141	125.3°	120.0°
C13	C14	CL16	H142	125.3°	120.1°
C13	C14	H141	H142	116.8°	120.0°
H13	C13	C14	CL16	24.9°	60.0°
H13	C13	C14	H141	100.4°	180.0°
H13	C13	C14	H142	150.2°	60.1°
CL16	C14	H141	H142	116.9°	120.0°
H101	C10	H102	H103	109.5°	120.0°
C6	C5	N4	O4	179.6°	179.6°
C6	C5	N4	C3	0.1°	0.6°
C6	C5	N4	HN4	179.9°	180.0°
C5	C6	C1	C2	0.2°	0.0°
C5	C6	C1	O1	179.9°	180.0°
C1	C6	C5	N4	0.2°	0.3°
C1	C6	C5	O4	179.8°	180.0°
C6	C1	C2	C3	0.1°	0.0°
C6	C1	C2	O1	179.8°	180.0°
C6	C1	C2	O2	180.0°	180.0°
C6	C1	O1	HO1	180.0°	174.2°
C5	N4	C3	HN4	180.0°	179.4°
C5	N4	C3	C2	0.1°	0.6°
C5	N4	C3	O3	179.6°	179.7°
O4	C5	N4	C3	179.6°	179.8°
O4	C5	N4	HN4	0.3°	0.3°
N4	C3	C2	O3	179.7°	179.7°
N4	C3	C2	C1	0.2°	0.3°
N4	C3	C2	O2	179.8°	179.7°
N4	C3	O3	CM3	63.8°	0.2°
HN4	N4	C3	C2	179.9°	180.0°
HN4	N4	C3	O3	0.4°	0.3°
C3	C2	C1	O2	180.0°	180.0°
C3	C2	C1	O1	179.7°	180.0°
C3	C2	O2	CM2	77.3°	111.2°
C2	C3	O3	CM3	116.5°	180.0°
O3	C3	C2	C1	179.5°	180.0°
O3	C3	C2	O2	0.5°	0.0°
C3	O3	CM3	HM31	54.7°	60.0°
C3	O3	CM3	HM32	180.0°	60.0°
C3	O3	CM3	HM33	54.8°	180.0°
C2	C1	O1	HO1	0.2°	5.8°
C1	C2	O2	CM2	102.7°	68.8°
O2	C2	C1	O1	0.3°	0.0°
C2	O2	CM2	HM21	54.8°	59.1°
C2	O2	CM2	HM22	180.0°	61.0°
C2	O2	CM2	HM23	54.7°	179.1°
O2	CM2	HM21	HM22	127.1°	120.0°
O2	CM2	HM21	HM23	116.5°	120.0°
O2	CM2	HM22	HM23	125.3°	120.0°
HM21	CM2	HM22	HM23	109.5°	120.0°
O3	CM3	HM31	HM32	132.0°	120.1°
O3	CM3	HM31	HM33	114.0°	120.0°
O3	CM3	HM32	HM33	125.2°	120.1°
HM31	CM3	HM32	HM33	109.5°	119.9°

Definition date:	2005-07-21
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2ACZ