RLP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C18	sing	1.34Å	1.24Å
O19	H19O	sing	0.97Å	0.95Å
C18	O18	doub	1.21Å	1.22Å
C18	C17	sing	1.51Å	1.51Å
C17	C16	sing	1.53Å	1.52Å
C17	H171	sing	1.09Å	1.11Å
C17	H172	sing	1.09Å	1.11Å
C16	C7	sing	1.51Å	1.53Å
C16	H161	sing	1.09Å	1.11Å
C16	H162	sing	1.09Å	1.12Å
C7	C8	doub	1.39Å	1.49Å	Aromatic
C7	N6	sing	1.31Å	1.35Å	Aromatic
C8	O8	sing	1.35Å	1.26Å
C8	N9	sing	1.35Å	1.35Å	Aromatic
O8	HO8	sing	0.97Å	0.95Å
N9	C10	sing	1.37Å	1.35Å	Aromatic
N9	C11	sing	1.46Å	1.46Å
C10	C5	sing	1.42Å	1.47Å	Aromatic
C10	N1	doub	1.33Å	1.37Å	Aromatic
C5	N6	doub	1.32Å	1.34Å	Aromatic
C5	C4	sing	1.47Å	1.47Å	Aromatic
C4	O4	doub	1.22Å	1.27Å
C4	N3	sing	1.35Å	1.35Å	Aromatic
N3	C2	sing	1.34Å	1.35Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C2	O2	doub	1.22Å	1.23Å
C2	N1	sing	1.33Å	1.35Å	Aromatic
C11	C12	sing	1.53Å	1.49Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C12	O12	sing	1.43Å	1.42Å
C12	C13	sing	1.53Å	1.53Å
C12	H121	sing	1.09Å	1.12Å
O12	H12O	sing	0.97Å	0.95Å
C13	O13	sing	1.43Å	1.44Å
C13	C14	sing	1.53Å	1.53Å
C13	H131	sing	1.09Å	1.12Å
O13	H13O	sing	0.97Å	0.95Å
C14	O14	sing	1.43Å	1.43Å
C14	C15	sing	1.53Å	1.54Å
C14	H141	sing	1.09Å	1.11Å
O14	H14O	sing	0.97Å	0.95Å
C15	O15	sing	1.43Å	1.44Å
C15	H151	sing	1.09Å	1.12Å
C15	H152	sing	1.09Å	1.12Å
O15	H15O	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	O19	H19O	121.6°	120.0°
O19	C18	O18	121.5°	120.0°
O19	C18	C17	122.4°	120.0°
O18	C18	C17	116.1°	120.0°
C18	C17	C16	109.3°	109.4°
C18	C17	H171	112.3°	109.5°
C18	C17	H172	112.3°	109.5°
C16	C17	H171	112.3°	109.4°
C16	C17	H172	112.3°	109.5°
C17	C16	C7	114.5°	109.5°
C17	C16	H161	110.4°	109.5°
C17	C16	H162	110.4°	109.5°
H171	C17	H172	98.1°	109.5°
C7	C16	H161	110.4°	109.4°
C7	C16	H162	110.3°	109.5°
C16	C7	C8	120.2°	119.5°
C16	C7	N6	121.3°	119.5°
H161	C16	H162	99.9°	109.4°
C8	C7	N6	118.5°	121.0°
C7	C8	O8	120.9°	119.9°
C7	C8	N9	120.0°	120.2°
C7	N6	C5	120.4°	120.5°
O8	C8	N9	119.1°	119.9°
C8	O8	HO8	120.8°	120.0°
C8	N9	C10	121.4°	118.7°
C8	N9	C11	119.7°	120.7°
C10	N9	C11	118.5°	120.6°
N9	C10	C5	118.0°	119.1°
N9	C10	N1	122.2°	121.7°
N9	C11	C12	120.9°	109.4°
N9	C11	H111	108.2°	109.5°
N9	C11	H112	108.2°	109.5°
C5	C10	N1	119.7°	119.3°
C10	C5	N6	121.7°	120.4°
C10	C5	C4	117.1°	117.8°
C10	N1	C2	119.5°	121.7°
N6	C5	C4	121.2°	121.7°
C5	C4	O4	120.8°	121.3°
C5	C4	N3	117.7°	117.5°
O4	C4	N3	121.6°	121.2°
C4	N3	C2	122.8°	120.5°
C4	N3	HN3	118.4°	119.8°
C2	N3	HN3	118.8°	119.7°
N3	C2	O2	116.5°	118.4°
N3	C2	N1	123.1°	123.2°
O2	C2	N1	120.4°	118.4°
C12	C11	H111	108.1°	109.5°
C12	C11	H112	108.1°	109.5°
C11	C12	O12	102.2°	109.5°
C11	C12	C13	111.1°	109.4°
C11	C12	H121	114.8°	109.5°
H111	C11	H112	101.8°	109.4°
O12	C12	C13	113.9°	109.5°
O12	C12	H121	112.0°	109.5°
C12	O12	H12O	102.2°	106.8°
C13	C12	H121	103.3°	109.5°
C12	C13	O13	109.7°	109.5°
C12	C13	C14	114.1°	109.5°
C12	C13	H131	106.4°	109.5°
O13	C13	C14	110.0°	109.4°
O13	C13	H131	110.7°	109.5°
C13	O13	H13O	109.6°	106.9°
C14	C13	H131	105.9°	109.5°
C13	C14	O14	110.2°	109.5°
C13	C14	C15	111.6°	109.5°
C13	C14	H141	107.5°	109.5°
O14	C14	C15	109.1°	109.5°
O14	C14	H141	110.0°	109.4°
C14	O14	H14O	110.2°	106.8°
C15	C14	H141	108.5°	109.4°
C14	C15	O15	110.8°	109.6°
C14	C15	H151	111.7°	109.4°
C14	C15	H152	111.8°	109.5°
O15	C15	H151	111.7°	109.4°
O15	C15	H152	111.7°	109.4°
C15	O15	H15O	110.8°	106.8°
H151	C15	H152	98.7°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C18	O18	C17	179.0°	180.0°
O19	C18	C17	C16	66.3°	180.0°
O19	C18	C17	H171	168.4°	60.0°
O19	C18	C17	H172	58.9°	60.0°
H19O	O19	C18	O18	180.0°	0.1°
H19O	O19	C18	C17	1.0°	180.0°
O18	C18	C17	C16	112.7°	0.0°
O18	C18	C17	H171	12.6°	119.9°
O18	C18	C17	H172	122.1°	120.0°
C18	C17	C16	H171	125.3°	120.0°
C18	C17	C16	H172	125.2°	120.0°
C18	C17	H171	H172	118.2°	120.0°
C18	C17	C16	C7	73.9°	180.0°
C18	C17	C16	H161	160.8°	60.0°
C18	C17	C16	H162	51.3°	60.0°
C16	C17	H171	H172	118.2°	120.0°
C17	C16	C7	H161	125.3°	120.0°
C17	C16	C7	H162	125.2°	120.1°
C17	C16	H161	H162	116.2°	120.0°
C17	C16	C7	C8	71.2°	90.1°
C17	C16	C7	N6	111.0°	90.0°
H171	C17	C16	C7	51.3°	60.0°
H171	C17	C16	H161	73.9°	180.0°
H171	C17	C16	H162	176.5°	60.0°
H172	C17	C16	C7	160.8°	60.0°
H172	C17	C16	H161	35.5°	60.0°
H172	C17	C16	H162	74.0°	180.0°
C7	C16	H161	H162	116.2°	120.0°
C16	C7	C8	N6	177.9°	180.0°
C16	C7	C8	O8	0.9°	0.0°
C16	C7	C8	N9	178.9°	180.0°
C16	C7	N6	C5	179.7°	179.9°
H161	C16	C7	C8	163.6°	149.9°
H161	C16	C7	N6	14.3°	30.0°
H162	C16	C7	C8	54.1°	30.0°
H162	C16	C7	N6	123.8°	150.0°
C7	C8	O8	N9	179.8°	179.9°
C7	C8	O8	HO8	180.0°	0.0°
C7	C8	N9	C10	1.3°	0.3°
C7	C8	N9	C11	173.5°	179.9°
C8	C7	N6	C5	2.4°	0.1°
N6	C7	C8	O8	178.8°	179.9°
N6	C7	C8	N9	1.0°	0.0°
C7	N6	C5	C10	1.6°	0.1°
C7	N6	C5	C4	178.9°	180.0°
O8	C8	N9	C10	178.8°	179.8°
O8	C8	N9	C11	6.7°	0.1°
N9	C8	O8	HO8	0.1°	180.0°
C8	N9	C10	C11	172.2°	179.6°
C8	N9	C10	C5	2.1°	0.5°
C8	N9	C10	N1	177.4°	179.8°
C8	N9	C11	C12	94.3°	90.1°
C8	N9	C11	H111	30.9°	29.9°
C8	N9	C11	H112	140.5°	149.9°
N9	C10	C5	N1	175.4°	179.3°
N9	C10	C5	N6	0.7°	0.4°
N9	C10	C5	C4	178.8°	179.7°
N9	C10	N1	C2	179.5°	179.7°
C10	N9	C11	C12	93.3°	90.3°
C10	N9	C11	H111	141.4°	149.7°
C10	N9	C11	H112	31.9°	29.7°
C11	N9	C10	C5	174.3°	179.9°
C11	N9	C10	N1	10.3°	0.6°
N9	C11	C12	H111	125.3°	120.0°
N9	C11	C12	H112	125.3°	120.0°
N9	C11	H111	H112	113.8°	120.0°
N9	C11	C12	O12	73.8°	60.0°
N9	C11	C12	C13	164.3°	180.0°
N9	C11	C12	H121	47.6°	60.0°
C10	C5	N6	C4	179.5°	179.9°
C10	C5	C4	O4	177.0°	179.8°
C10	C5	C4	N3	1.1°	0.1°
C5	C10	N1	C2	4.3°	0.4°
N1	C10	C5	N6	176.1°	179.7°
N1	C10	C5	C4	3.4°	0.3°
C10	N1	C2	N3	2.9°	0.2°
C10	N1	C2	O2	178.6°	179.8°
N6	C5	C4	O4	3.5°	0.1°
N6	C5	C4	N3	178.4°	180.0°
C5	C4	O4	N3	178.1°	179.9°
C5	C4	N3	C2	0.3°	0.1°
C5	C4	N3	HN3	179.8°	180.0°
O4	C4	N3	C2	178.4°	180.0°
O4	C4	N3	HN3	1.7°	0.1°
C4	N3	C2	HN3	180.0°	179.9°
C4	N3	C2	O2	179.1°	179.9°
C4	N3	C2	N1	0.6°	0.0°
N3	C2	O2	N1	178.6°	180.0°
HN3	N3	C2	O2	0.8°	0.0°
HN3	N3	C2	N1	179.4°	180.0°
C12	C11	H111	H112	113.7°	120.0°
C11	C12	O12	C13	119.9°	119.9°
C11	C12	O12	H121	123.4°	120.0°
C11	C12	C13	H121	123.5°	120.0°
C11	C12	O12	H12O	180.0°	60.0°
C11	C12	C13	O13	54.5°	60.1°
C11	C12	C13	C14	69.4°	180.0°
C11	C12	C13	H131	174.2°	60.0°
H111	C11	C12	O12	160.9°	60.0°
H111	C11	C12	C13	39.1°	60.0°
H111	C11	C12	H121	77.6°	180.0°
H112	C11	C12	O12	51.4°	180.0°
H112	C11	C12	C13	70.4°	60.0°
H112	C11	C12	H121	172.9°	60.0°
O12	C12	C13	H121	121.7°	120.0°
O12	C12	C13	O13	60.3°	180.0°
O12	C12	C13	C14	175.8°	60.1°
O12	C12	C13	H131	59.5°	59.9°
C13	C12	O12	H12O	60.1°	60.0°
C12	C13	O13	C14	126.2°	120.0°
C12	C13	O13	H131	117.1°	120.0°
C12	C13	C14	H131	116.6°	120.0°
C12	C13	O13	H13O	180.0°	60.0°
C12	C13	C14	O14	50.0°	60.0°
C12	C13	C14	C15	171.4°	180.0°
C12	C13	C14	H141	69.8°	59.9°
H121	C12	O12	H12O	56.6°	180.0°
H121	C12	C13	O13	178.0°	60.0°
H121	C12	C13	C14	54.1°	60.0°
H121	C12	C13	H131	62.2°	180.0°
O13	C13	C14	H131	119.7°	120.0°
O13	C13	C14	O14	173.7°	180.0°
O13	C13	C14	C15	64.9°	60.0°
O13	C13	C14	H141	53.9°	60.0°
C14	C13	O13	H13O	53.8°	60.0°
C13	C14	O14	C15	122.8°	120.1°
C13	C14	O14	H141	118.3°	120.0°
C13	C14	C15	H141	118.2°	120.0°
C13	C14	O14	H14O	180.0°	60.0°
C13	C14	C15	O15	52.6°	180.0°
C13	C14	C15	H151	177.8°	60.0°
C13	C14	C15	H152	72.6°	60.0°
H131	C13	O13	H13O	62.9°	180.0°
H131	C13	C14	O14	66.6°	60.0°
H131	C13	C14	C15	54.7°	60.0°
H131	C13	C14	H141	173.6°	180.0°
O14	C14	C15	H141	119.8°	119.9°
O14	C14	C15	O15	69.3°	60.0°
O14	C14	C15	H151	55.9°	60.0°
O14	C14	C15	H152	165.4°	180.0°
C15	C14	O14	H14O	57.2°	60.0°
C14	C15	O15	H151	125.3°	120.0°
C14	C15	O15	H152	125.3°	120.1°
C14	C15	H151	H152	117.7°	120.0°
C14	C15	O15	H15O	180.0°	180.0°
H141	C14	O14	H14O	61.8°	180.0°
H141	C14	C15	O15	170.8°	60.0°
H141	C14	C15	H151	63.9°	180.0°
H141	C14	C15	H152	45.6°	60.1°
O15	C15	H151	H152	117.6°	119.9°
H151	C15	O15	H15O	54.7°	60.0°
H152	C15	O15	H15O	54.8°	60.0°

Definition date:	2003-02-04
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1NQX