CH5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	O3P	sing	1.43Å	1.48Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.55Å
C2	O2	sing	1.43Å	1.51Å
C2	H2	sing	1.09Å	1.11Å
C3	O3	sing	1.43Å	1.48Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.57Å
C4	O4P	sing	1.43Å	1.49Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	N	sing	1.47Å	1.54Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å
C6	N	sing	1.47Å	1.49Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.12Å
C6	H63	sing	1.09Å	1.11Å
C7	N	sing	1.47Å	1.45Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
C7	H73	sing	1.09Å	1.12Å
C8	N	sing	1.47Å	1.47Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.11Å
C8	H83	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O1P	P	doub	1.48Å	1.56Å
O2P	P	sing	1.61Å	1.54Å
O2P	H2P	sing	0.97Å	0.95Å
O3P	P	sing	1.61Å	1.59Å
O4P	P	sing	1.61Å	1.58Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O3P	111.5°	109.5°
C2	C1	H11	111.4°	109.5°
C2	C1	H12	111.5°	109.5°
C1	C2	C3	115.0°	109.5°
C1	C2	O2	108.0°	109.4°
C1	C2	H2	107.5°	109.5°
O3P	C1	H11	111.5°	109.5°
O3P	C1	H12	111.5°	109.5°
C1	O3P	P	115.7°	106.8°
H11	C1	H12	98.9°	109.5°
C3	C2	O2	111.8°	109.5°
C3	C2	H2	103.3°	109.5°
C2	C3	O3	116.2°	109.5°
C2	C3	H31	109.8°	109.5°
C2	C3	H32	109.8°	109.5°
O2	C2	H2	111.0°	109.5°
C2	O2	HO2	108.1°	106.8°
O3	C3	H31	109.7°	109.4°
O3	C3	H32	109.7°	109.5°
C3	O3	HO3	116.2°	106.8°
H31	C3	H32	100.4°	109.5°
C5	C4	O4P	108.9°	109.5°
C5	C4	H41	112.4°	109.5°
C5	C4	H42	112.4°	109.5°
C4	C5	N	121.5°	109.5°
C4	C5	H51	107.9°	109.4°
C4	C5	H52	107.9°	109.4°
O4P	C4	H41	112.5°	109.5°
O4P	C4	H42	112.4°	109.4°
C4	O4P	P	114.5°	106.8°
H41	C4	H42	98.0°	109.5°
N	C5	H51	107.9°	109.5°
N	C5	H52	107.9°	109.5°
C5	N	C6	115.0°	109.5°
C5	N	C7	108.5°	109.5°
C5	N	C8	109.8°	109.5°
H51	C5	H52	101.9°	109.5°
N	C6	H61	114.9°	109.5°
N	C6	H62	110.2°	109.5°
N	C6	H63	110.2°	109.5°
C6	N	C7	107.9°	109.4°
C6	N	C8	109.5°	109.4°
H61	C6	H62	110.2°	109.4°
H61	C6	H63	110.3°	109.5°
H62	C6	H63	100.0°	109.4°
N	C7	H71	108.6°	109.5°
N	C7	H72	112.6°	109.4°
N	C7	H73	112.6°	109.4°
C7	N	C8	105.7°	109.4°
H71	C7	H72	112.5°	109.5°
H71	C7	H73	112.5°	109.5°
H72	C7	H73	97.9°	109.5°
N	C8	H81	109.8°	109.5°
N	C8	H82	112.1°	109.4°
N	C8	H83	112.1°	109.5°
H81	C8	H82	112.1°	109.4°
H81	C8	H83	112.0°	109.5°
H82	C8	H83	98.4°	109.5°
O1P	P	O2P	108.8°	109.5°
O1P	P	O3P	108.9°	109.5°
O1P	P	O4P	108.2°	109.5°
P	O2P	H2P	108.9°	106.9°
O2P	P	O3P	109.9°	109.4°
O2P	P	O4P	108.3°	109.5°
O3P	P	O4P	112.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O3P	H11	125.2°	120.0°
C2	C1	O3P	H12	125.3°	120.0°
C2	C1	H11	H12	117.4°	120.0°
C1	C2	C3	O2	123.7°	119.9°
C1	C2	C3	H2	116.9°	120.0°
C1	C2	O2	H2	117.7°	120.0°
C1	C2	C3	O3	123.7°	175.0°
C1	C2	C3	H31	111.1°	55.1°
C1	C2	C3	H32	1.6°	65.0°
C1	C2	O2	HO2	180.0°	60.0°
C2	C1	O3P	P	121.5°	180.0°
O3P	C1	H11	H12	117.4°	120.1°
O3P	C1	C2	C3	141.2°	175.0°
O3P	C1	C2	O2	15.6°	65.0°
O3P	C1	C2	H2	104.3°	55.0°
C1	O3P	P	O1P	57.6°	55.0°
C1	O3P	P	O2P	61.5°	65.0°
C1	O3P	P	O4P	177.6°	175.0°
H11	C1	C2	C3	16.0°	55.0°
H11	C1	C2	O2	109.7°	175.0°
H11	C1	C2	H2	130.4°	65.0°
H11	C1	O3P	P	3.7°	60.1°
H12	C1	C2	C3	93.5°	65.0°
H12	C1	C2	O2	140.9°	55.0°
H12	C1	C2	H2	21.0°	175.0°
H12	C1	O3P	P	113.2°	60.0°
C3	C2	O2	H2	114.8°	120.1°
C2	C3	O3	H31	125.3°	120.0°
C2	C3	O3	H32	125.3°	120.1°
C2	C3	H31	H32	115.6°	120.1°
C3	C2	O2	HO2	52.4°	59.9°
C2	C3	O3	HO3	180.0°	180.0°
O2	C2	C3	O3	0.0°	65.1°
O2	C2	C3	H31	125.2°	175.0°
O2	C2	C3	H32	125.3°	54.9°
H2	C2	C3	O3	119.5°	55.0°
H2	C2	C3	H31	5.8°	64.9°
H2	C2	C3	H32	115.3°	175.0°
H2	C2	O2	HO2	62.4°	180.0°
O3	C3	H31	H32	115.5°	120.0°
H31	C3	O3	HO3	54.7°	60.0°
H32	C3	O3	HO3	54.7°	60.0°
C5	C4	O4P	H41	125.3°	120.1°
C5	C4	O4P	H42	125.2°	120.0°
C5	C4	H41	H42	118.3°	120.0°
C4	C5	N	H51	125.3°	120.0°
C4	C5	N	H52	125.3°	120.0°
C4	C5	H51	H52	113.5°	119.9°
C4	C5	N	C6	30.3°	55.2°
C4	C5	N	C7	151.3°	64.8°
C4	C5	N	C8	93.6°	175.2°
C5	C4	O4P	P	99.1°	180.0°
O4P	C4	H41	H42	118.4°	120.0°
O4P	C4	C5	N	179.7°	67.6°
O4P	C4	C5	H51	54.4°	52.4°
O4P	C4	C5	H52	55.1°	172.4°
C4	O4P	P	O1P	74.0°	55.0°
C4	O4P	P	O2P	43.8°	65.0°
C4	O4P	P	O3P	165.6°	175.1°
H41	C4	C5	N	54.4°	172.3°
H41	C4	C5	H51	70.9°	67.6°
H41	C4	C5	H52	179.6°	52.3°
H41	C4	O4P	P	135.7°	60.0°
H42	C4	C5	N	55.1°	52.3°
H42	C4	C5	H51	179.6°	172.4°
H42	C4	C5	H52	70.2°	67.7°
H42	C4	O4P	P	26.1°	60.0°
N	C5	H51	H52	113.5°	120.1°
C5	N	C6	C7	121.3°	120.0°
C5	N	C6	C8	124.2°	120.0°
C5	N	C6	H61	180.0°	59.9°
C5	N	C6	H62	54.8°	60.0°
C5	N	C6	H63	54.7°	180.0°
C5	N	C7	C8	117.7°	120.0°
C5	N	C7	H71	180.0°	170.0°
C5	N	C7	H72	54.7°	49.9°
C5	N	C7	H73	54.8°	70.0°
C5	N	C8	H81	180.0°	60.0°
C5	N	C8	H82	54.8°	59.9°
C5	N	C8	H83	54.8°	180.0°
H51	C5	N	C6	155.7°	175.2°
H51	C5	N	C7	83.4°	55.2°
H51	C5	N	C8	31.7°	64.8°
H52	C5	N	C6	94.9°	64.7°
H52	C5	N	C7	26.0°	175.3°
H52	C5	N	C8	141.1°	55.3°
N	C6	H61	H62	125.2°	120.0°
N	C6	H61	H63	125.3°	120.1°
N	C6	H62	H63	116.1°	120.1°
C6	N	C7	C8	117.1°	119.9°
C6	N	C7	H71	54.8°	70.0°
C6	N	C7	H72	179.9°	170.0°
C6	N	C7	H73	70.4°	50.0°
C6	N	C8	H81	52.9°	60.1°
C6	N	C8	H82	72.3°	180.0°
C6	N	C8	H83	178.1°	60.0°
H61	C6	H62	H63	116.1°	119.9°
H61	C6	N	C7	58.7°	60.1°
H61	C6	N	C8	55.9°	180.0°
H62	C6	N	C7	66.5°	180.0°
H62	C6	N	C8	178.9°	60.1°
H63	C6	N	C7	176.0°	60.0°
H63	C6	N	C8	69.4°	59.9°
N	C7	H71	H72	125.3°	120.0°
N	C7	H71	H73	125.3°	120.0°
N	C7	H72	H73	118.5°	119.9°
C7	N	C8	H81	63.1°	180.0°
C7	N	C8	H82	171.6°	60.1°
C7	N	C8	H83	62.1°	59.9°
H71	C7	H72	H73	118.4°	120.1°
H71	C7	N	C8	62.3°	49.9°
H72	C7	N	C8	63.0°	70.1°
H73	C7	N	C8	172.5°	169.9°
N	C8	H81	H82	125.3°	119.9°
N	C8	H81	H83	125.2°	120.1°
N	C8	H82	H83	118.0°	120.1°
H81	C8	H82	H83	118.0°	120.0°
O1P	P	O2P	O3P	119.2°	120.0°
O1P	P	O2P	O4P	117.4°	120.0°
O1P	P	O2P	H2P	180.0°	180.0°
O1P	P	O3P	O4P	120.0°	120.0°
O2P	P	O3P	O4P	120.9°	120.0°
H2P	O2P	P	O3P	60.8°	60.0°
H2P	O2P	P	O4P	62.6°	59.9°

Definition date:	2005-08-12
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	2AG2