XRF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	P2	doub	1.48Å	1.53Å
O10	P2	sing	1.61Å	1.49Å
P2	O12	sing	1.61Å	1.53Å
P2	O9	sing	1.61Å	1.59Å
O4	P	doub	1.48Å	1.48Å
O9	P1	sing	1.61Å	1.59Å
O6	P	sing	1.61Å	1.59Å
O6	P1	sing	1.61Å	1.59Å
P	O5	sing	1.61Å	1.53Å
P	O3	sing	1.61Å	1.57Å
P1	O8	doub	1.48Å	1.53Å
P1	O7	sing	1.61Å	1.48Å
O3	C9	sing	1.43Å	1.43Å
O2	C8	sing	1.44Å	1.44Å
O2	C5	sing	1.44Å	1.42Å
C8	C9	sing	1.53Å	1.50Å
C8	C7	sing	1.54Å	1.52Å
O13	C7	sing	1.43Å	1.43Å
C5	N	sing	1.46Å	1.48Å
C5	C6	sing	1.54Å	1.52Å
C7	C6	sing	1.54Å	1.52Å
O	C3	doub	1.22Å	1.22Å
N	C3	sing	1.35Å	1.38Å
N	C2	sing	1.37Å	1.38Å
C3	N1	sing	1.35Å	1.37Å
C2	C1	doub	1.35Å	1.34Å
N1	C4	sing	1.35Å	1.38Å
C1	C4	sing	1.42Å	1.45Å
C1	C	sing	1.51Å	1.50Å
C4	O1	doub	1.22Å	1.23Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
N1	H12	sing	0.97Å	1.00Å
O10	H13	sing	0.97Å	0.95Å
O12	H14	sing	0.97Å	0.95Å
O13	H15	sing	0.97Å	0.95Å
O5	H16	sing	0.97Å	0.95Å
O7	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	P2	O10	113.2°	109.5°
O11	P2	O12	108.7°	109.5°
O11	P2	O9	106.5°	109.5°
O10	P2	O12	113.6°	109.5°
O10	P2	O9	111.8°	109.5°
P2	O10	H13	109.5°	114.0°
O12	P2	O9	102.3°	109.4°
P2	O12	H14	109.5°	114.1°
P2	O9	P1	125.2°	134.0°
O4	P	O6	112.6°	109.5°
O4	P	O5	118.5°	109.4°
O4	P	O3	112.9°	109.5°
O9	P1	O6	100.5°	109.5°
O9	P1	O8	107.5°	109.5°
O9	P1	O7	111.4°	109.5°
P	O6	P1	129.7°	134.0°
O6	P	O5	107.1°	109.5°
O6	P	O3	95.8°	109.5°
O6	P1	O8	107.3°	109.5°
O6	P1	O7	110.9°	109.5°
O5	P	O3	107.5°	109.5°
P	O5	H16	109.5°	114.0°
P	O3	C9	128.4°	123.0°
O8	P1	O7	117.8°	109.5°
P1	O7	H17	109.5°	114.0°
O3	C9	C8	107.4°	109.5°
O3	C9	H10	110.0°	109.5°
O3	C9	H11	110.0°	109.4°
C8	O2	C5	110.7°	105.3°
O2	C8	C9	109.4°	110.4°
O2	C8	C7	106.3°	104.8°
O2	C8	H9	109.7°	110.5°
O2	C5	N	108.1°	110.4°
O2	C5	C6	107.1°	104.8°
O2	C5	H5	109.9°	110.4°
C9	C8	C7	113.7°	110.4°
C9	C8	H9	108.9°	110.4°
C8	C9	H10	110.0°	109.5°
C8	C9	H11	110.0°	109.4°
C8	C7	O13	110.8°	110.6°
C8	C7	C6	102.9°	104.1°
C8	C7	H8	109.6°	110.6°
C7	C8	H9	108.6°	110.4°
O13	C7	C6	112.8°	110.5°
O13	C7	H8	111.0°	110.4°
C7	O13	H15	109.5°	114.0°
N	C5	C6	114.0°	110.4°
C5	N	C3	118.1°	119.7°
C5	N	C2	120.7°	119.7°
N	C5	H5	109.1°	110.3°
C5	C6	C7	104.1°	104.1°
C6	C5	H5	108.5°	110.4°
C5	C6	H6	110.8°	110.5°
C5	C6	H7	110.8°	110.5°
C7	C6	H6	110.8°	110.5°
C7	C6	H7	110.8°	110.7°
C6	C7	H8	109.5°	110.5°
O	C3	N	123.0°	119.5°
O	C3	N1	122.2°	119.5°
C3	N	C2	121.2°	120.6°
N	C3	N1	114.8°	121.0°
N	C2	C1	123.5°	119.7°
N	C2	H4	118.2°	120.1°
C3	N1	C4	127.1°	120.2°
C3	N1	H12	116.4°	119.9°
C2	C1	C4	118.1°	119.1°
C2	C1	C	123.0°	120.4°
C1	C2	H4	118.3°	120.2°
N1	C4	C1	115.3°	119.4°
N1	C4	O1	119.9°	120.3°
C4	N1	H12	116.4°	119.9°
C4	C1	C	118.8°	120.5°
C1	C4	O1	124.8°	120.3°
C1	C	H1	109.5°	109.5°
C1	C	H2	109.5°	109.5°
C1	C	H3	109.5°	109.5°
H1	C	H2	109.5°	109.4°
H1	C	H3	109.4°	109.4°
H2	C	H3	109.5°	109.5°
H6	C6	H7	109.5°	110.4°
H10	C9	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	P2	O10	O12	124.6°	120.1°
O11	P2	O10	O9	120.2°	120.0°
O11	P2	O12	O9	112.3°	120.0°
O11	P2	O9	P1	77.4°	45.0°
O11	P2	O10	H13	0.0°	60.0°
O11	P2	O12	H14	0.0°	180.0°
O10	P2	O12	O9	120.7°	120.0°
O10	P2	O9	P1	158.6°	165.0°
O10	P2	O12	H14	127.0°	60.0°
O12	P2	O9	P1	36.6°	75.1°
O12	P2	O10	H13	124.6°	60.0°
P2	O9	P1	O6	56.0°	165.0°
P2	O9	P1	O8	168.0°	45.0°
P2	O9	P1	O7	61.5°	75.0°
O9	P2	O10	H13	120.2°	180.0°
O9	P2	O12	H14	112.3°	60.0°
O4	P	O6	O5	131.9°	120.0°
O4	P	O6	O3	117.7°	120.0°
O4	P	O6	P1	177.2°	40.0°
O4	P	O5	O3	129.4°	119.9°
O4	P	O3	C9	100.6°	55.0°
O4	P	O5	H16	0.0°	180.0°
O9	P1	O6	P	124.7°	160.0°
O9	P1	O6	O8	112.2°	120.0°
O9	P1	O6	O7	117.9°	120.0°
O9	P1	O8	O7	126.8°	120.0°
O9	P1	O7	H17	124.9°	60.0°
O6	P	O5	O3	102.0°	120.0°
P	O6	P1	O8	123.1°	40.0°
P	O6	P1	O7	6.8°	80.0°
O6	P	O3	C9	141.9°	175.0°
O6	P	O5	H16	128.6°	60.0°
P1	O6	P	O5	45.3°	80.0°
P1	O6	P	O3	65.0°	160.0°
O6	P1	O8	O7	125.9°	120.0°
O6	P1	O7	H17	124.1°	60.0°
O5	P	O3	C9	31.9°	65.0°
P	O3	C9	C8	79.7°	180.0°
P	O3	C9	H10	40.0°	60.0°
P	O3	C9	H11	160.6°	60.0°
O3	P	O5	H16	129.4°	60.0°
O8	P1	O7	H17	0.0°	180.0°
O3	C9	C8	O2	59.4°	69.6°
O3	C9	C8	H10	119.7°	120.1°
O3	C9	C8	H11	119.6°	120.0°
O3	C9	C8	C7	178.1°	175.0°
O3	C9	C8	H9	60.6°	52.7°
O3	C9	H10	H11	120.9°	120.0°
O2	C8	C9	C7	118.7°	115.4°
O2	C8	C9	H9	119.9°	122.4°
O2	C8	C7	H9	118.0°	118.9°
O2	C8	C7	O13	94.3°	142.7°
C8	O2	C5	N	129.0°	159.3°
C8	O2	C5	C6	5.7°	40.5°
O2	C8	C7	C6	26.5°	24.0°
C8	O2	C5	H5	112.0°	78.4°
O2	C8	C7	H8	143.0°	94.7°
O2	C8	C9	H10	179.0°	50.4°
O2	C8	C9	H11	60.3°	170.4°
C5	O2	C8	C9	109.8°	159.3°
C5	O2	C8	C7	13.4°	40.5°
O2	C5	N	C6	118.9°	115.4°
O2	C5	N	H5	119.5°	122.3°
O2	C5	C6	H5	118.6°	118.9°
O2	C5	C6	C7	22.3°	24.0°
O2	C5	N	C3	125.4°	175.4°
O2	C5	N	C2	54.2°	4.9°
O2	C5	C6	H6	96.8°	94.6°
O2	C5	C6	H7	141.5°	142.8°
C5	O2	C8	H9	130.7°	78.4°
C9	C8	C7	H9	121.5°	122.2°
C9	C8	C7	O13	145.2°	98.5°
C9	C8	C7	C6	94.0°	142.8°
C9	C8	C7	H8	22.5°	24.1°
C8	C9	H10	H11	121.0°	120.0°
C8	C7	O13	C6	114.7°	114.7°
C8	C7	O13	H8	121.9°	122.7°
C8	C7	C6	C5	29.3°	0.0°
C8	C7	C6	H8	116.5°	118.7°
C8	C7	C6	H6	89.8°	118.7°
C8	C7	C6	H7	148.4°	118.7°
C7	C8	C9	H10	62.2°	64.9°
C7	C8	C9	H11	58.5°	55.0°
C8	C7	O13	H15	180.0°	176.2°
O13	C7	C6	C5	90.1°	118.8°
O13	C7	C6	H8	124.1°	122.5°
O13	C7	C6	H6	150.8°	122.6°
O13	C7	C6	H7	29.0°	0.0°
O13	C7	C8	H9	23.7°	23.7°
N	C5	C6	H5	121.8°	122.3°
N	C5	C6	C7	141.9°	142.8°
C5	N	C3	O	0.9°	0.3°
C5	N	C3	C2	179.6°	179.7°
C5	N	C3	N1	179.4°	179.7°
C5	N	C2	C1	179.2°	179.8°
C5	N	C2	H4	0.8°	0.4°
N	C5	C6	H6	22.7°	24.2°
N	C5	C6	H7	99.0°	98.4°
C5	C6	C7	H6	119.1°	118.6°
C5	C6	C7	H7	119.1°	118.7°
C6	C5	N	C3	115.6°	60.0°
C6	C5	N	C2	64.8°	120.3°
C5	C6	H6	H7	122.5°	122.6°
C5	C6	C7	H8	145.8°	118.7°
C7	C6	C5	H5	96.3°	95.0°
C7	C6	H6	H7	122.5°	122.7°
C6	C7	C8	H9	144.6°	95.0°
C6	C7	O13	H15	65.3°	61.5°
O	C3	N	N1	179.7°	180.0°
O	C3	N	C2	179.5°	180.0°
O	C3	N1	C4	179.7°	180.0°
O	C3	N1	H12	0.4°	0.1°
C3	N	C2	C1	0.4°	0.1°
N	C3	N1	C4	0.0°	0.0°
C3	N	C2	H4	179.6°	179.9°
C3	N	C5	H5	5.9°	62.3°
N	C3	N1	H12	179.9°	179.9°
C2	N	C3	N1	0.2°	0.0°
N	C2	C1	H4	180.0°	179.9°
N	C2	C1	C4	0.4°	0.1°
N	C2	C1	C	179.3°	180.0°
C2	N	C5	H5	173.7°	117.4°
C3	N1	C4	H12	180.0°	179.9°
C3	N1	C4	C1	0.0°	0.0°
C3	N1	C4	O1	179.4°	180.0°
C2	C1	C4	N1	0.2°	0.1°
C2	C1	C4	C	179.7°	179.9°
C2	C1	C4	O1	179.2°	179.9°
C2	C1	C	H1	180.0°	180.0°
C2	C1	C	H2	60.0°	60.1°
C2	C1	C	H3	60.0°	60.0°
N1	C4	C1	O1	179.4°	180.0°
N1	C4	C1	C	179.5°	180.0°
C4	C1	C	H1	0.3°	0.1°
C4	C1	C	H2	120.3°	120.0°
C4	C1	C	H3	119.7°	119.9°
C4	C1	C2	H4	179.6°	180.0°
C1	C4	N1	H12	180.0°	179.9°
C	C1	C4	O1	1.1°	0.1°
C1	C	H1	H2	120.0°	120.0°
C1	C	H1	H3	120.0°	120.0°
C1	C	H2	H3	120.0°	120.1°
C	C1	C2	H4	0.7°	0.1°
O1	C4	N1	H12	0.6°	0.1°
H1	C	H2	H3	120.0°	119.9°
H5	C5	C6	H6	144.6°	146.4°
H5	C5	C6	H7	22.9°	23.9°
H6	C6	C7	H8	26.6°	0.0°
H7	C6	C7	H8	95.1°	122.6°
H8	C7	C8	H9	99.0°	146.4°
H8	C7	O13	H15	58.1°	61.1°
H9	C8	C9	H10	59.1°	172.8°
H9	C8	C9	H11	179.8°	67.2°

Release date:	2022-02-23
Definition date:	2021-03-09
Last modified:	2022-02-18
Release status:	REL
Processing site:	RCSB
Derived from:	7LSK