IR9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3P	P1	doub	1.48Å	1.51Å
O2P	P1	sing	1.61Å	1.51Å
P1	O1P	sing	1.61Å	1.51Å
P1	O1	sing	1.61Å	1.60Å
O1	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.52Å
N1	C2	sing	1.49Å	1.49Å
N1	C5	sing	1.48Å	1.48Å
O6P	P2	doub	1.48Å	1.51Å
C2	C3	sing	1.55Å	1.52Å
O6	P2	sing	1.61Å	1.60Å
O6	C6	sing	1.43Å	1.42Å
O4P	P2	sing	1.61Å	1.51Å
O3	C3	sing	1.43Å	1.43Å
P2	O5P	sing	1.61Å	1.52Å
C3	C4	sing	1.55Å	1.51Å
C5	C6	sing	1.53Å	1.51Å
C5	C4	sing	1.54Å	1.52Å
C4	O4	sing	1.43Å	1.43Å
O1P	H1	sing	0.97Å	0.95Å
O2P	H2	sing	0.97Å	0.95Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
O3	H7	sing	0.97Å	0.95Å
N1	H8	sing	1.01Å	1.00Å
C5	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
O4	H12	sing	0.97Å	0.95Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
O4P	H15	sing	0.97Å	0.95Å
O5P	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3P	P1	O2P	109.8°	109.5°
O3P	P1	O1P	111.7°	109.5°
O3P	P1	O1	109.5°	109.5°
O2P	P1	O1P	109.5°	109.5°
O2P	P1	O1	107.7°	109.5°
P1	O2P	H2	109.5°	114.0°
O1P	P1	O1	108.4°	109.5°
P1	O1P	H1	109.5°	114.0°
P1	O1	C1	120.8°	123.0°
O1	C1	C2	107.4°	109.5°
O1	C1	H3	110.0°	109.5°
O1	C1	H4	110.0°	109.5°
C1	C2	N1	111.5°	110.7°
C1	C2	C3	114.8°	110.7°
C2	C1	H3	110.0°	109.4°
C2	C1	H4	110.0°	109.5°
C1	C2	H5	108.5°	110.6°
C2	N1	C5	106.3°	105.8°
N1	C2	C3	104.4°	103.2°
N1	C2	H5	108.9°	110.8°
C2	N1	H8	110.3°	111.0°
N1	C5	C6	111.3°	109.9°
N1	C5	C4	105.9°	107.1°
C5	N1	H8	110.3°	111.0°
N1	C5	H10	109.5°	109.9°
O6P	P2	O6	106.9°	109.5°
O6P	P2	O4P	111.4°	109.5°
O6P	P2	O5P	110.8°	109.5°
C2	C3	O3	110.4°	110.7°
C2	C3	C4	100.3°	102.9°
C3	C2	H5	108.5°	110.7°
C2	C3	H6	111.0°	110.7°
P2	O6	C6	120.9°	123.0°
O6	P2	O4P	107.6°	109.4°
O6	P2	O5P	109.6°	109.5°
O6	C6	C5	108.2°	109.4°
O6	C6	H13	109.8°	109.5°
O6	C6	H14	109.8°	109.5°
O4P	P2	O5P	110.3°	109.5°
P2	O4P	H15	109.5°	114.0°
O3	C3	C4	111.3°	110.7°
O3	C3	H6	112.3°	110.8°
C3	O3	H7	109.5°	114.0°
P2	O5P	H16	109.5°	114.0°
C3	C4	C5	100.9°	105.2°
C3	C4	O4	114.8°	110.3°
C4	C3	H6	111.0°	110.7°
C3	C4	H11	109.1°	110.3°
C6	C5	C4	112.1°	109.9°
C6	C5	H10	109.1°	109.9°
C5	C6	H13	109.8°	109.5°
C5	C6	H14	109.8°	109.5°
C5	C4	O4	112.5°	110.3°
C4	C5	H10	109.0°	110.1°
C5	C4	H11	108.9°	110.3°
O4	C4	H11	110.2°	110.3°
C4	O4	H12	109.5°	114.0°
H3	C1	H4	109.5°	109.4°
H13	C6	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3P	P1	O2P	O1P	123.0°	120.0°
O3P	P1	O2P	O1	119.2°	120.0°
O3P	P1	O1P	O1	120.8°	120.0°
O3P	P1	O1	C1	73.3°	55.0°
O3P	P1	O1P	H1	0.0°	179.9°
O3P	P1	O2P	H2	0.0°	60.0°
O2P	P1	O1P	O1	117.3°	120.0°
O2P	P1	O1	C1	167.2°	175.0°
O2P	P1	O1P	H1	121.9°	60.1°
O1P	P1	O1	C1	48.8°	65.0°
O1P	P1	O2P	H2	123.0°	60.0°
P1	O1	C1	C2	164.1°	180.0°
O1	P1	O1P	H1	120.7°	59.9°
O1	P1	O2P	H2	119.2°	180.0°
P1	O1	C1	H3	44.4°	60.0°
P1	O1	C1	H4	76.3°	60.0°
O1	C1	C2	H3	119.7°	120.0°
O1	C1	C2	H4	119.7°	120.1°
O1	C1	C2	N1	59.9°	71.2°
O1	C1	C2	C3	178.4°	175.0°
O1	C1	H3	H4	120.9°	120.0°
O1	C1	C2	H5	60.0°	52.0°
C1	C2	N1	C3	124.6°	118.4°
C1	C2	N1	H5	119.7°	123.1°
C1	C2	N1	C5	144.6°	157.6°
C1	C2	C3	H5	121.5°	123.0°
C1	C2	C3	O3	46.3°	37.5°
C1	C2	C3	C4	163.8°	155.8°
C2	C1	H3	H4	121.0°	120.0°
C1	C2	C3	H6	78.8°	85.9°
C1	C2	N1	H8	25.1°	37.1°
C2	N1	C5	H8	119.5°	120.5°
N1	C2	C3	H5	116.1°	118.6°
N1	C2	C3	O3	76.0°	80.9°
N1	C2	C3	C4	41.4°	37.4°
C2	N1	C5	C6	131.2°	94.0°
C2	N1	C5	C4	9.2°	25.3°
N1	C2	C1	H3	179.6°	168.8°
N1	C2	C1	H4	59.7°	48.9°
N1	C2	C3	H6	158.8°	155.7°
C2	N1	C5	H10	108.1°	144.9°
C5	N1	C2	C3	20.1°	39.2°
N1	C5	C6	O6	48.3°	66.4°
N1	C5	C4	C3	34.8°	1.2°
N1	C5	C6	C4	118.4°	117.6°
N1	C5	C6	H10	120.9°	121.1°
N1	C5	C4	H10	117.6°	119.5°
N1	C5	C4	O4	157.6°	117.7°
C5	N1	C2	H5	95.7°	79.3°
N1	C5	C4	H11	79.9°	120.1°
N1	C5	C6	H13	168.1°	53.6°
N1	C5	C6	H14	71.5°	173.6°
O6P	P2	O6	O4P	119.8°	120.0°
O6P	P2	O6	O5P	120.2°	120.0°
O6P	P2	O6	C6	151.6°	55.0°
O6P	P2	O4P	O5P	123.6°	120.0°
O6P	P2	O4P	H15	0.0°	180.0°
O6P	P2	O5P	H16	0.0°	60.0°
C2	C3	O3	C4	110.5°	113.5°
C2	C3	O3	H6	124.4°	123.3°
C2	C3	C4	H6	117.4°	118.3°
C2	C3	C4	C5	46.0°	22.0°
C2	C3	C4	O4	167.2°	140.9°
C3	C2	C1	H3	61.9°	55.0°
C3	C2	C1	H4	58.8°	64.9°
C2	C3	O3	H7	180.0°	180.0°
C3	C2	N1	H8	99.4°	81.3°
C2	C3	C4	H11	68.6°	97.0°
O6	P2	O4P	O5P	119.6°	120.0°
P2	O6	C6	C5	127.9°	180.0°
P2	O6	C6	H13	8.1°	60.0°
P2	O6	C6	H14	112.3°	60.0°
O6	P2	O4P	H15	116.9°	60.0°
O6	P2	O5P	H16	117.8°	179.9°
C6	O6	P2	O4P	88.6°	65.0°
C6	O6	P2	O5P	31.4°	175.0°
O6	C6	C5	H13	119.8°	120.0°
O6	C6	C5	H14	119.8°	120.0°
O6	C6	C5	C4	166.7°	176.0°
O6	C6	C5	H10	72.5°	54.6°
O6	C6	H13	H14	120.6°	120.0°
O4P	P2	O5P	H16	123.9°	60.0°
O3	C3	C4	H6	125.9°	123.3°
O3	C3	C4	C5	70.8°	96.4°
O3	C3	C4	O4	50.4°	22.6°
O3	C3	C2	H5	167.9°	160.5°
O3	C3	C4	H11	174.6°	144.7°
O5P	P2	O4P	H15	123.5°	60.0°
C3	C4	C5	C6	156.3°	118.1°
C3	C4	C5	O4	122.9°	118.9°
C3	C4	C5	H11	114.7°	118.9°
C3	C4	O4	H11	123.6°	122.1°
C4	C3	C2	H5	74.7°	81.2°
C4	C3	O3	H7	69.5°	66.6°
C3	C4	C5	H10	82.9°	120.7°
C3	C4	O4	H12	180.0°	61.4°
C6	C5	C4	H10	120.9°	121.2°
C6	C5	C4	O4	80.9°	122.9°
C6	C5	N1	H8	109.3°	145.5°
C6	C5	C4	H11	41.6°	0.8°
C5	C6	H13	H14	120.6°	120.0°
C5	C4	O4	H11	121.7°	122.1°
C5	C4	C3	H6	163.3°	140.3°
C4	C5	N1	H8	128.7°	95.2°
C5	C4	O4	H12	65.3°	177.1°
C4	C5	C6	H13	73.5°	64.0°
C4	C5	C6	H14	46.9°	56.0°
O4	C4	C3	H6	75.4°	100.7°
O4	C4	C5	H10	40.0°	1.7°
H3	C1	C2	H5	59.7°	68.0°
H4	C1	C2	H5	179.7°	172.1°
H5	C2	C3	H6	42.7°	37.1°
H5	C2	N1	H8	144.8°	160.2°
H6	C3	O3	H7	55.6°	56.7°
H6	C3	C4	H11	48.7°	21.4°
H8	N1	C5	H10	11.4°	24.4°
H10	C5	C4	H11	162.4°	120.4°
H10	C5	C6	H13	47.3°	174.6°
H10	C5	C6	H14	167.7°	65.4°
H11	C4	O4	H12	56.4°	60.7°

Release date:	2017-12-27
Definition date:	2017-04-26
Last modified:	2017-12-22
Release status:	REL
Processing site:	RCSB
Derived from:	5VJP