99C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.39Å
O8	P2	doub	1.48Å	1.63Å
O5	P1	doub	1.48Å	1.52Å
C1	C2	sing	1.51Å	1.52Å
O2	P1	sing	1.61Å	1.65Å
O2	C12	sing	1.43Å	1.39Å
C3	C2	doub	1.31Å	1.32Å
C3	C12	sing	1.51Å	1.54Å
C2	C4	sing	1.51Å	1.53Å
P1	O3	sing	1.61Å	1.61Å
P1	O4	sing	1.61Å	1.50Å
P2	O6	sing	1.61Å	1.46Å
P2	O3	sing	1.61Å	1.63Å
P2	O7	sing	1.61Å	1.46Å
C4	C5	sing	1.51Å	1.51Å
C10	C5	doub	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.39Å	Aromatic
C8	C11	sing	1.51Å	1.53Å
O1	H1	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
O4	H16	sing	0.97Å	0.95Å
O6	H17	sing	0.97Å	0.95Å
O7	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	113.0°	109.4°
C1	O1	H1	109.5°	114.0°
O1	C1	H2	108.6°	109.5°
O1	C1	H3	108.6°	109.5°
O8	P2	O6	108.9°	109.4°
O8	P2	O3	116.2°	109.5°
O8	P2	O7	111.8°	109.5°
O5	P1	O2	113.3°	109.5°
O5	P1	O3	106.7°	109.5°
O5	P1	O4	114.2°	109.5°
C1	C2	C3	120.1°	120.0°
C1	C2	C4	116.8°	120.0°
C2	C1	H2	108.6°	109.5°
C2	C1	H3	108.6°	109.5°
P1	O2	C12	118.5°	123.0°
O2	P1	O3	104.0°	109.5°
O2	P1	O4	111.5°	109.4°
O2	C12	C3	111.9°	109.5°
O2	C12	H14	108.9°	109.4°
O2	C12	H15	108.9°	109.5°
C2	C3	C12	124.4°	120.0°
C3	C2	C4	123.0°	120.0°
C2	C3	H4	117.8°	120.0°
C12	C3	H4	117.8°	120.0°
C3	C12	H14	108.8°	109.5°
C3	C12	H15	108.9°	109.5°
C2	C4	C5	105.4°	109.4°
C2	C4	H5	110.4°	109.5°
C2	C4	H6	110.5°	109.5°
O3	P1	O4	106.1°	109.5°
P1	O3	P2	122.1°	134.0°
P1	O4	H16	109.5°	114.0°
O6	P2	O3	104.2°	109.5°
O6	P2	O7	109.5°	109.5°
P2	O6	H17	109.5°	114.0°
O3	P2	O7	105.9°	109.4°
P2	O7	H18	109.5°	114.0°
C4	C5	C10	119.1°	120.0°
C4	C5	C6	120.3°	120.0°
C5	C4	H5	110.5°	109.4°
C5	C4	H6	110.5°	109.4°
C5	C10	C9	120.0°	120.0°
C10	C5	C6	120.6°	120.0°
C5	C10	H10	120.0°	120.0°
C10	C9	C8	119.6°	120.0°
C10	C9	H9	120.2°	119.9°
C9	C10	H10	120.0°	120.0°
C5	C6	C7	119.7°	120.0°
C5	C6	H7	120.2°	120.0°
C9	C8	C7	120.6°	120.0°
C9	C8	C11	119.4°	120.0°
C8	C9	H9	120.2°	120.0°
C6	C7	C8	119.4°	120.0°
C7	C6	H7	120.1°	120.0°
C6	C7	H8	120.3°	120.0°
C7	C8	C11	120.0°	120.0°
C8	C7	H8	120.3°	120.0°
C8	C11	H11	109.5°	109.4°
C8	C11	H12	109.5°	109.5°
C8	C11	H13	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H5	C4	H6	109.5°	109.6°
H11	C11	H12	109.5°	109.5°
H11	C11	H13	109.5°	109.5°
H12	C11	H13	109.5°	109.6°
H14	C12	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H2	120.5°	120.0°
O1	C1	C2	H3	120.5°	120.0°
O1	C1	C2	C3	23.2°	0.0°
O1	C1	C2	C4	160.6°	180.0°
O1	C1	H2	H3	118.4°	120.0°
O8	P2	O3	P1	15.5°	45.0°
O8	P2	O6	O3	124.5°	120.0°
O8	P2	O6	O7	122.6°	120.0°
O8	P2	O3	O7	124.8°	120.0°
O8	P2	O6	H17	0.0°	60.0°
O8	P2	O7	H18	0.0°	179.9°
O5	P1	O2	O3	115.5°	120.0°
O5	P1	O2	O4	130.5°	120.0°
O5	P1	O2	C12	164.3°	54.9°
O5	P1	O3	O4	122.1°	120.0°
O5	P1	O3	P2	47.9°	40.0°
O5	P1	O4	H16	0.0°	180.0°
C1	C2	C3	C4	176.0°	180.0°
C1	C2	C3	C12	175.2°	179.2°
C1	C2	C4	C5	74.2°	84.7°
C2	C1	O1	H1	180.0°	180.0°
C2	C1	H2	H3	118.4°	120.0°
C1	C2	C3	H4	4.8°	0.8°
C1	C2	C4	H5	45.1°	155.4°
C1	C2	C4	H6	166.4°	35.3°
P1	O2	C12	C3	179.7°	180.0°
O2	P1	O3	O4	117.8°	120.0°
O2	P1	O3	P2	72.2°	160.0°
P1	O2	C12	H14	59.9°	60.0°
P1	O2	C12	H15	59.3°	59.9°
O2	P1	O4	H16	130.1°	60.1°
O2	C12	C3	C2	105.5°	135.6°
O2	C12	C3	H14	120.4°	119.9°
O2	C12	C3	H15	120.4°	120.1°
C12	O2	P1	O3	48.8°	174.9°
C12	O2	P1	O4	65.2°	65.0°
O2	C12	C3	H4	74.5°	44.4°
O2	C12	H14	H15	118.9°	120.0°
C2	C3	C12	H4	180.0°	180.0°
C3	C2	C4	C5	101.9°	95.3°
C3	C2	C1	H2	97.4°	120.0°
C3	C2	C1	H3	143.7°	119.9°
C3	C2	C4	H5	138.7°	24.6°
C3	C2	C4	H6	17.4°	144.7°
C2	C3	C12	H14	14.9°	104.4°
C2	C3	C12	H15	134.1°	15.5°
C12	C3	C2	C4	0.8°	0.8°
C3	C12	H14	H15	118.9°	120.0°
C2	C4	C5	H5	119.3°	119.9°
C2	C4	C5	H6	119.4°	120.0°
C2	C4	C5	C10	79.7°	90.3°
C2	C4	C5	C6	100.6°	90.0°
C4	C2	C1	H2	78.9°	60.0°
C4	C2	C1	H3	40.0°	60.1°
C4	C2	C3	H4	179.2°	179.2°
C2	C4	H5	H6	121.8°	120.1°
P1	O3	P2	O6	104.2°	165.0°
P1	O3	P2	O7	140.4°	75.0°
O3	P1	O4	H16	117.3°	59.9°
O4	P1	O3	P2	170.1°	80.0°
O6	P2	O3	O7	115.5°	120.0°
O6	P2	O7	H18	120.7°	60.0°
O3	P2	O6	H17	124.6°	180.0°
O3	P2	O7	H18	127.5°	60.1°
O7	P2	O6	H17	122.5°	60.0°
C4	C5	C10	C6	179.7°	179.7°
C4	C5	C10	C9	177.7°	179.7°
C4	C5	C6	C7	175.6°	180.0°
C5	C4	H5	H6	121.9°	120.0°
C4	C5	C6	H7	4.4°	0.0°
C4	C5	C10	H10	2.3°	0.1°
C5	C10	C9	H10	180.0°	179.7°
C5	C10	C9	C8	0.6°	0.6°
C10	C5	C6	C7	4.6°	0.3°
C10	C5	C4	H5	39.6°	149.8°
C10	C5	C4	H6	160.9°	29.7°
C10	C5	C6	H7	175.3°	179.7°
C5	C10	C9	H9	179.5°	179.7°
C9	C10	C5	C6	2.5°	0.6°
C10	C9	C8	H9	180.0°	179.7°
C10	C9	C8	C7	1.5°	0.3°
C10	C9	C8	C11	179.1°	179.8°
C5	C6	C7	H7	180.0°	180.0°
C5	C6	C7	C8	3.7°	0.0°
C6	C5	C4	H5	140.1°	29.9°
C6	C5	C4	H6	18.8°	150.0°
C5	C6	C7	H8	176.3°	180.0°
C6	C5	C10	H10	177.5°	179.8°
C9	C8	C7	C6	0.6°	0.0°
C9	C8	C7	C11	177.6°	179.9°
C9	C8	C7	H8	179.4°	180.0°
C8	C9	C10	H10	179.4°	179.8°
C9	C8	C11	H11	88.8°	90.0°
C9	C8	C11	H12	151.2°	29.9°
C9	C8	C11	H13	31.2°	150.0°
C6	C7	C8	H8	180.0°	180.0°
C6	C7	C8	C11	177.0°	180.0°
C8	C7	C6	H7	176.3°	180.0°
C7	C8	C9	H9	178.5°	180.0°
C7	C8	C11	H11	88.8°	90.0°
C7	C8	C11	H12	31.2°	150.0°
C7	C8	C11	H13	151.2°	29.9°
C11	C8	C7	H8	3.0°	0.1°
C11	C8	C9	H9	0.9°	0.0°
C8	C11	H11	H12	120.0°	119.9°
C8	C11	H11	H13	120.0°	120.0°
C8	C11	H12	H13	119.9°	120.0°
H1	O1	C1	H2	59.5°	60.0°
H1	O1	C1	H3	59.5°	60.0°
H4	C3	C12	H14	165.2°	75.6°
H4	C3	C12	H15	45.9°	164.5°
H7	C6	C7	H8	3.7°	0.0°
H9	C9	C10	H10	0.5°	0.0°
H11	C11	H12	H13	120.0°	120.0°

Release date:	2019-04-03
Definition date:	2018-02-06
Last modified:	2019-03-29
Release status:	REL
Processing site:	RCSB
Derived from:	5Z92