BYY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C11	doub	1.21Å	1.25Å
C10	C11	sing	1.51Å	1.54Å
C10	C9	sing	1.53Å	1.53Å
C11	O11	sing	1.34Å	1.25Å
C9	C8	sing	1.53Å	1.54Å
C8	C7	sing	1.53Å	1.53Å
C7	C2	sing	1.53Å	1.54Å
SE1	C2	sing	1.99Å	1.92Å
SE1	C6	sing	1.99Å	1.95Å
C2	C4	sing	1.55Å	1.55Å
N2	C4	sing	1.47Å	1.50Å
N2	C3	sing	1.34Å	1.34Å
C4	C5	sing	1.53Å	1.56Å
C6	C5	sing	1.54Å	1.53Å
C3	O3	doub	1.22Å	1.23Å
C3	N1	sing	1.34Å	1.34Å
C5	N1	sing	1.47Å	1.50Å
N1	H1	sing	0.97Å	1.00Å
N2	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
O11	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C11	C10	116.6°	120.0°
O12	C11	O11	125.9°	120.0°
C11	C10	C9	111.9°	109.5°
C10	C11	O11	117.4°	120.0°
C11	C10	H14	108.9°	109.4°
C11	C10	H15	108.8°	109.5°
C10	C9	C8	110.6°	109.5°
C10	C9	H12	109.2°	109.5°
C10	C9	H13	109.2°	109.5°
C9	C10	H14	108.9°	109.5°
C9	C10	H15	108.8°	109.5°
C11	O11	H16	109.5°	117.0°
C9	C8	C7	111.8°	109.5°
C9	C8	H10	108.9°	109.5°
C9	C8	H11	108.9°	109.5°
C8	C9	H12	109.2°	109.5°
C8	C9	H13	109.2°	109.5°
C8	C7	C2	109.8°	109.5°
C8	C7	H8	109.4°	109.4°
C8	C7	H9	109.4°	109.4°
C7	C8	H10	108.9°	109.5°
C7	C8	H11	108.9°	109.5°
C7	C2	SE1	110.8°	111.0°
C7	C2	C4	111.6°	110.9°
C7	C2	H7	113.5°	110.9°
C2	C7	H8	109.4°	109.5°
C2	C7	H9	109.4°	109.5°
C2	SE1	C6	86.5°	91.6°
SE1	C2	C4	97.8°	101.7°
SE1	C2	H7	108.6°	111.0°
SE1	C6	C5	101.0°	101.5°
SE1	C6	H5	111.6°	111.0°
SE1	C6	H6	111.5°	111.0°
C2	C4	N2	113.3°	109.0°
C2	C4	C5	110.8°	115.3°
C2	C4	H3	109.8°	109.0°
C4	C2	H7	113.4°	110.9°
C4	N2	C3	110.1°	108.9°
N2	C4	C5	102.7°	104.2°
C4	N2	H2	125.0°	125.6°
N2	C4	H3	110.4°	109.5°
N2	C3	O3	123.7°	123.1°
N2	C3	N1	113.6°	113.9°
C3	N2	H2	125.0°	125.5°
C4	C5	C6	110.2°	115.5°
C4	C5	N1	103.1°	104.1°
C5	C4	H3	109.6°	109.7°
C4	C5	H4	110.9°	109.6°
C6	C5	N1	109.1°	109.0°
C6	C5	H4	111.3°	109.0°
C5	C6	H5	111.5°	111.0°
C5	C6	H6	111.6°	111.0°
O3	C3	N1	122.7°	123.0°
C3	N1	C5	110.1°	108.9°
C3	N1	H1	124.9°	125.6°
C5	N1	H1	124.9°	125.5°
N1	C5	H4	111.9°	109.5°
H5	C6	H6	109.5°	110.9°
H8	C7	H9	109.5°	109.5°
H10	C8	H11	109.5°	109.4°
H12	C9	H13	109.5°	109.4°
H14	C10	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C11	C10	O11	178.9°	179.9°
O12	C11	C10	C9	152.4°	0.1°
O12	C11	C10	H14	87.2°	120.0°
O12	C11	C10	H15	32.1°	120.0°
O12	C11	O11	H16	0.0°	0.1°
C11	C10	C9	H14	120.4°	120.0°
C11	C10	C9	H15	120.4°	120.0°
C11	C10	C9	C8	88.0°	180.0°
C11	C10	C9	H12	32.2°	60.0°
C11	C10	C9	H13	151.9°	60.0°
C11	C10	H14	H15	118.9°	120.0°
C10	C11	O11	H16	178.8°	180.0°
C9	C10	C11	O11	28.6°	180.0°
C10	C9	C8	H12	120.2°	120.0°
C10	C9	C8	H13	120.2°	120.1°
C10	C9	C8	C7	167.9°	180.0°
C10	C9	C8	H10	71.7°	60.0°
C10	C9	C8	H11	47.6°	60.0°
C10	C9	H12	H13	119.5°	120.0°
C9	C10	H14	H15	118.9°	120.0°
O11	C11	C10	H14	91.7°	60.0°
O11	C11	C10	H15	149.0°	59.9°
C9	C8	C7	H10	120.3°	120.0°
C9	C8	C7	H11	120.3°	120.1°
C9	C8	C7	C2	167.7°	180.0°
C9	C8	C7	H8	47.7°	60.0°
C9	C8	C7	H9	72.2°	60.0°
C9	C8	H10	H11	118.9°	120.0°
C8	C9	H12	H13	119.5°	120.0°
C8	C9	C10	H14	151.6°	60.0°
C8	C9	C10	H15	32.4°	60.0°
C8	C7	C2	H8	120.0°	119.9°
C8	C7	C2	H9	120.1°	120.0°
C8	C7	C2	SE1	67.7°	61.4°
C8	C7	C2	C4	175.5°	173.7°
C8	C7	C2	H7	54.9°	62.5°
C8	C7	H8	H9	119.8°	120.0°
C7	C8	H10	H11	119.0°	120.0°
C7	C8	C9	H12	47.8°	60.0°
C7	C8	C9	H13	71.9°	59.9°
C7	C2	SE1	C4	116.7°	118.0°
C7	C2	SE1	H7	125.4°	123.9°
C7	C2	SE1	C6	168.0°	151.1°
C7	C2	C4	H7	129.7°	123.8°
C7	C2	C4	N2	44.7°	26.3°
C7	C2	C4	C5	159.6°	143.0°
C7	C2	C4	H3	79.2°	93.2°
C2	C7	H8	H9	119.8°	120.1°
C2	C7	C8	H10	71.9°	60.0°
C2	C7	C8	H11	47.4°	59.9°
SE1	C2	C4	H7	114.2°	118.1°
SE1	C2	C4	N2	71.4°	91.8°
SE1	C2	C4	C5	43.5°	24.9°
C2	SE1	C6	C5	47.4°	33.0°
SE1	C2	C4	H3	164.7°	148.7°
C2	SE1	C6	H5	166.0°	85.0°
C2	SE1	C6	H6	71.2°	151.1°
SE1	C2	C7	H8	172.3°	58.5°
SE1	C2	C7	H9	52.4°	178.6°
C6	SE1	C2	C4	51.3°	33.0°
SE1	C6	C5	C4	29.1°	24.9°
SE1	C6	C5	H5	118.6°	118.0°
SE1	C6	C5	H6	118.6°	118.1°
SE1	C6	C5	N1	83.4°	91.9°
SE1	C6	C5	H4	152.6°	148.7°
SE1	C6	H5	H6	123.9°	124.0°
C6	SE1	C2	H7	66.7°	85.0°
C2	C4	N2	C5	119.6°	123.5°
C2	C4	N2	H3	123.6°	119.2°
C2	C4	N2	C3	125.4°	123.7°
C2	C4	C5	H3	121.3°	123.5°
C2	C4	C5	C6	9.5°	0.1°
C2	C4	C5	N1	125.9°	119.4°
C2	C4	N2	H2	54.6°	56.4°
C2	C4	C5	H4	114.2°	123.6°
C4	C2	C7	H8	64.5°	53.8°
C4	C2	C7	H9	55.4°	66.3°
C4	N2	C3	H2	180.0°	179.9°
N2	C4	C5	H3	117.3°	117.2°
N2	C4	C5	C6	111.8°	119.4°
C4	N2	C3	O3	176.5°	180.0°
C4	N2	C3	N1	4.8°	0.3°
N2	C4	C5	N1	4.5°	0.0°
N2	C4	C5	H4	124.5°	117.1°
N2	C4	C2	H7	174.4°	150.1°
C3	N2	C4	C5	5.7°	0.2°
N2	C3	O3	N1	178.6°	179.7°
N2	C3	N1	C5	1.5°	0.2°
N2	C3	N1	H1	178.5°	179.8°
C3	N2	C4	H3	111.1°	117.1°
C4	C5	C6	N1	112.5°	116.7°
C4	C5	C6	H4	123.5°	123.8°
C4	C5	N1	C3	2.2°	0.1°
C4	C5	N1	H4	119.3°	117.1°
C4	C5	N1	H1	177.8°	179.9°
C5	C4	N2	H2	174.3°	180.0°
C4	C5	C6	H5	147.7°	93.1°
C4	C5	C6	H6	89.5°	142.9°
C5	C4	C2	H7	70.7°	93.3°
C6	C5	N1	C3	114.9°	123.9°
C6	C5	N1	H4	123.6°	119.2°
C6	C5	N1	H1	65.1°	56.2°
C6	C5	C4	H3	130.9°	123.4°
C5	C6	H5	H6	124.0°	124.0°
O3	C3	N1	C5	179.7°	180.0°
O3	C3	N1	H1	0.2°	0.1°
O3	C3	N2	H2	3.6°	0.2°
C3	N1	C5	H1	180.0°	180.0°
N1	C3	N2	H2	175.2°	179.9°
C3	N1	C5	H4	121.4°	117.0°
N1	C5	C4	H3	112.8°	117.1°
N1	C5	C6	H5	35.2°	150.1°
N1	C5	C6	H6	158.0°	26.2°
H1	N1	C5	H4	58.5°	63.0°
H2	N2	C4	H3	69.0°	62.7°
H3	C4	C5	H4	7.1°	0.1°
H3	C4	C2	H7	50.4°	30.6°
H4	C5	C6	H5	88.8°	30.7°
H4	C5	C6	H6	34.0°	93.2°
H7	C2	C7	H8	65.2°	177.5°
H7	C2	C7	H9	174.9°	57.4°
H8	C7	C8	H10	168.0°	180.0°
H8	C7	C8	H11	72.7°	60.0°
H9	C7	C8	H10	48.1°	60.0°
H9	C7	C8	H11	167.4°	180.0°
H10	C8	C9	H12	168.1°	180.0°
H10	C8	C9	H13	48.5°	60.0°
H11	C8	C9	H12	72.6°	60.0°
H11	C8	C9	H13	167.7°	180.0°
H12	C9	C10	H14	88.2°	180.0°
H12	C9	C10	H15	152.5°	60.0°
H13	C9	C10	H14	31.5°	60.0°
H13	C9	C10	H15	87.8°	180.0°

Release date:	2016-11-16
Definition date:	2016-04-18
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5JD2