FY0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.38Å	1.41Å	Aromatic
C1	C6	doub	1.38Å	1.41Å	Aromatic
C2	C3	doub	1.39Å	1.41Å	Aromatic
C3	C4	sing	1.39Å	1.42Å	Aromatic
C4	C5	doub	1.38Å	1.41Å	Aromatic
C5	C6	sing	1.38Å	1.41Å	Aromatic
C3	O1	sing	1.36Å	1.28Å
O1	P1	sing	1.61Å	1.52Å
P1	O2	sing	1.61Å	1.51Å
P1	O3	doub	1.48Å	1.48Å
P1	O4	sing	1.61Å	1.51Å
C6	C7	sing	1.51Å	1.49Å
C7	C8	sing	1.53Å	1.57Å
C8	C9	sing	1.51Å	1.46Å
C9	O5	doub	1.21Å	1.22Å
C9	O6	sing	1.34Å	1.23Å
C8	C10	sing	1.53Å	1.57Å
C10	C11	sing	1.51Å	1.46Å
C11	N1	sing	1.35Å	1.29Å
N1	C12	sing	1.46Å	1.39Å
C11	O7	doub	1.21Å	1.22Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
O2	H5	sing	0.97Å	0.95Å
O4	H6	sing	0.97Å	0.95Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
O6	H10	sing	0.97Å	0.95Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
N1	H13	sing	0.97Å	1.00Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.7°	120.1°
C1	C2	C3	121.0°	119.9°
C2	C1	H1	119.6°	120.0°
C1	C2	H2	119.5°	120.0°
C1	C6	C5	118.3°	120.1°
C1	C6	C7	120.6°	120.0°
C6	C1	H1	119.6°	120.0°
C2	C3	C4	118.3°	119.9°
C2	C3	O1	115.6°	120.0°
C3	C2	H2	119.5°	120.1°
C3	C4	C5	120.7°	119.9°
C4	C3	O1	126.1°	120.1°
C3	C4	H3	119.6°	120.0°
C4	C5	C6	121.0°	120.1°
C5	C4	H3	119.7°	120.0°
C4	C5	H4	119.5°	119.9°
C5	C6	C7	121.1°	119.9°
C6	C5	H4	119.5°	120.0°
C3	O1	P1	132.9°	114.0°
O1	P1	O2	108.3°	109.5°
O1	P1	O3	110.5°	109.5°
O1	P1	O4	109.1°	109.5°
O2	P1	O3	109.5°	109.5°
O2	P1	O4	109.2°	109.5°
P1	O2	H5	109.5°	114.1°
O3	P1	O4	110.3°	109.4°
P1	O4	H6	109.5°	114.0°
C6	C7	C8	115.1°	109.4°
C6	C7	H7	107.7°	109.5°
C6	C7	H8	107.6°	109.4°
C7	C8	C9	111.8°	109.5°
C7	C8	C10	111.7°	109.4°
C8	C7	H7	107.6°	109.4°
C8	C7	H8	107.6°	109.5°
C7	C8	H9	106.6°	109.6°
C8	C9	O5	121.5°	120.0°
C8	C9	O6	120.9°	120.0°
C9	C8	C10	110.5°	109.4°
C9	C8	H9	107.9°	109.5°
O5	C9	O6	117.7°	120.0°
C9	O6	H10	109.5°	117.0°
C8	C10	C11	113.7°	109.5°
C10	C8	H9	108.1°	109.5°
C8	C10	H11	108.1°	109.5°
C8	C10	H12	108.1°	109.5°
C10	C11	N1	122.5°	120.0°
C10	C11	O7	119.8°	120.0°
C11	C10	H11	108.1°	109.5°
C11	C10	H12	108.1°	109.5°
C11	N1	C12	123.8°	120.0°
N1	C11	O7	117.7°	120.0°
C11	N1	H13	118.1°	120.0°
C12	N1	H13	118.1°	120.0°
N1	C12	H14	109.5°	109.5°
N1	C12	H15	109.5°	109.5°
N1	C12	H16	109.5°	109.5°
H7	C7	H8	111.2°	109.5°
H11	C10	H12	110.8°	109.4°
H14	C12	H15	109.4°	109.5°
H14	C12	H16	109.5°	109.4°
H15	C12	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.7°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.1°
C2	C1	C6	C5	0.2°	0.0°
C1	C2	C3	O1	179.6°	179.9°
C2	C1	C6	C7	179.5°	179.9°
C6	C1	C2	C3	0.1°	0.0°
C1	C6	C5	C4	0.5°	0.1°
C1	C6	C5	C7	179.3°	179.9°
C1	C6	C7	C8	68.1°	90.1°
C6	C1	C2	H2	179.9°	179.9°
C1	C6	C5	H4	179.5°	180.0°
C1	C6	C7	H7	51.8°	150.0°
C1	C6	C7	H8	171.9°	29.9°
C2	C3	C4	O1	179.9°	179.9°
C2	C3	C4	C5	0.6°	0.1°
C2	C3	O1	P1	173.5°	90.1°
C3	C2	C1	H1	179.9°	179.7°
C2	C3	C4	H3	179.4°	180.0°
C3	C4	C5	H3	180.0°	179.9°
C3	C4	C5	C6	0.7°	0.1°
C4	C3	O1	P1	6.6°	90.1°
C4	C3	C2	H2	179.7°	179.9°
C3	C4	C5	H4	179.3°	180.0°
C4	C5	C6	H4	180.0°	179.9°
C5	C4	C3	O1	179.3°	180.0°
C4	C5	C6	C7	179.8°	180.0°
C5	C6	C7	C8	112.6°	90.0°
C5	C6	C1	H1	179.8°	179.7°
C6	C5	C4	H3	179.3°	180.0°
C5	C6	C7	H7	127.4°	29.9°
C5	C6	C7	H8	7.4°	150.0°
C3	O1	P1	O2	178.7°	175.0°
C3	O1	P1	O3	58.9°	55.0°
C3	O1	P1	O4	62.6°	65.0°
O1	C3	C2	H2	0.4°	0.0°
O1	C3	C4	H3	0.7°	0.1°
O1	P1	O2	O3	120.5°	120.0°
O1	P1	O2	O4	118.7°	120.0°
O1	P1	O3	O4	120.7°	120.0°
O1	P1	O2	H5	120.4°	180.0°
O1	P1	O4	H6	121.5°	60.0°
O2	P1	O3	O4	120.1°	120.0°
O2	P1	O4	H6	120.3°	60.0°
O3	P1	O2	H5	0.0°	60.0°
O3	P1	O4	H6	0.0°	180.0°
O4	P1	O2	H5	120.9°	60.0°
C6	C7	C8	H7	120.0°	120.0°
C6	C7	C8	H8	120.0°	119.9°
C6	C7	C8	C9	58.3°	65.0°
C6	C7	C8	C10	177.2°	175.0°
C7	C6	C1	H1	0.5°	0.2°
C7	C6	C5	H4	0.2°	0.1°
C6	C7	H7	H8	117.7°	120.0°
C6	C7	C8	H9	59.4°	55.0°
C7	C8	C9	C10	125.1°	119.9°
C7	C8	C9	H9	116.9°	120.1°
C7	C8	C9	O5	60.1°	0.0°
C7	C8	C9	O6	120.2°	180.0°
C7	C8	C10	H9	116.9°	120.1°
C7	C8	C10	C11	67.6°	175.0°
C8	C7	H7	H8	117.7°	120.1°
C7	C8	C10	H11	52.4°	55.0°
C7	C8	C10	H12	172.4°	65.0°
C8	C9	O5	O6	179.8°	180.0°
C9	C8	C10	H9	117.9°	120.0°
C9	C8	C10	C11	167.1°	65.0°
C9	C8	C7	H7	178.3°	175.0°
C9	C8	C7	H8	61.7°	54.9°
C8	C9	O6	H10	179.7°	180.0°
C9	C8	C10	H11	72.9°	175.0°
C9	C8	C10	H12	47.1°	55.0°
O5	C9	C8	C10	65.1°	120.0°
O5	C9	C8	H9	177.0°	120.0°
O5	C9	O6	H10	0.0°	0.0°
O6	C9	C8	C10	114.7°	60.0°
O6	C9	C8	H9	3.3°	59.9°
C8	C10	C11	H11	120.0°	120.0°
C8	C10	C11	H12	120.0°	120.0°
C8	C10	C11	N1	110.0°	180.0°
C8	C10	C11	O7	67.5°	0.0°
C10	C8	C7	H7	57.2°	55.0°
C10	C8	C7	H8	62.8°	65.0°
C8	C10	H11	H12	118.3°	120.0°
C10	C11	N1	O7	177.6°	180.0°
C10	C11	N1	C12	84.0°	180.0°
C11	C10	C8	H9	49.3°	55.0°
C11	C10	H11	H12	118.3°	120.0°
C10	C11	N1	H13	96.0°	0.0°
C11	N1	C12	H13	180.0°	179.9°
N1	C11	C10	H11	10.0°	60.0°
N1	C11	C10	H12	130.0°	60.0°
C11	N1	C12	H14	180.0°	180.0°
C11	N1	C12	H15	60.0°	60.0°
C11	N1	C12	H16	60.0°	60.1°
C12	N1	C11	O7	98.4°	0.1°
N1	C12	H14	H15	120.0°	120.1°
N1	C12	H14	H16	120.0°	120.0°
N1	C12	H15	H16	120.0°	120.0°
O7	C11	C10	H11	172.5°	120.0°
O7	C11	C10	H12	52.5°	120.1°
O7	C11	N1	H13	81.6°	180.0°
H1	C1	C2	H2	0.1°	0.3°
H3	C4	C5	H4	0.7°	0.1°
H7	C7	C8	H9	60.6°	65.0°
H8	C7	C8	H9	179.4°	174.9°
H9	C8	C10	H11	169.3°	65.1°
H9	C8	C10	H12	70.7°	175.0°
H13	N1	C12	H14	0.0°	0.1°
H13	N1	C12	H15	120.0°	120.0°
H13	N1	C12	H16	120.0°	120.0°
H14	C12	H15	H16	120.0°	119.9°

Definition date:	2010-02-04
Last modified:	2012-01-13
Release status:	REL
Processing site:	RCSB