D6Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.53Å
C3	C1	sing	1.53Å	1.53Å
C1	C	sing	1.53Å	1.53Å
C1	C4	sing	1.51Å	1.51Å
C4	O	sing	1.34Å	1.35Å	Aromatic
C4	C5	doub	1.35Å	1.34Å	Aromatic
O	N	sing	1.21Å	1.42Å	Aromatic
C5	C6	sing	1.41Å	1.40Å	Aromatic
C6	N	doub	1.30Å	1.30Å	Aromatic
C6	C7	sing	1.51Å	1.50Å
C7	C8	sing	1.53Å	1.54Å
C9	O1	sing	1.43Å	1.45Å
C9	C8	sing	1.53Å	1.54Å
O1	C10	sing	1.43Å	1.45Å
C8	C10	sing	1.53Å	1.54Å
C8	N1	sing	1.47Å	1.50Å
C5	H1	sing	1.08Å	1.08Å
N1	H2	sing	1.01Å	1.00Å
N1	H3	sing	1.01Å	1.00Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å
C	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	109.3°	109.5°
C2	C1	C	109.5°	109.5°
C2	C1	C4	109.3°	109.5°
C1	C2	H14	109.5°	109.5°
C1	C2	H15	109.5°	109.5°
C1	C2	H16	109.5°	109.5°
C3	C1	C	108.9°	109.5°
C3	C1	C4	109.9°	109.5°
C1	C3	H11	109.5°	109.5°
C1	C3	H12	109.5°	109.5°
C1	C3	H13	109.5°	109.5°
C	C1	C4	109.9°	109.5°
C1	C	H17	109.5°	109.5°
C1	C	H18	109.5°	109.5°
C1	C	H19	109.5°	109.5°
C1	C4	O	115.5°	126.8°
C1	C4	C5	134.2°	126.8°
O	C4	C5	110.4°	106.4°
C4	O	N	107.2°	111.6°
C4	C5	C6	105.0°	104.0°
C4	C5	H1	127.5°	128.0°
O	N	C6	105.8°	111.6°
C5	C6	N	111.7°	106.4°
C5	C6	C7	128.2°	126.8°
C6	C5	H1	127.5°	128.0°
N	C6	C7	120.1°	126.8°
C6	C7	C8	111.5°	109.5°
C6	C7	H5	108.9°	109.4°
C6	C7	H6	109.0°	109.5°
C7	C8	C9	116.2°	114.5°
C7	C8	C10	114.8°	114.6°
C7	C8	N1	111.2°	113.6°
C8	C7	H5	109.0°	109.5°
C8	C7	H6	109.0°	109.5°
O1	C9	C8	89.9°	88.5°
C9	O1	C10	90.8°	88.3°
O1	C9	H7	114.1°	113.4°
O1	C9	H8	114.1°	113.4°
C9	C8	C10	84.0°	81.3°
C9	C8	N1	112.8°	114.6°
C8	C9	H7	114.1°	113.5°
C8	C9	H8	114.1°	113.4°
O1	C10	C8	89.8°	88.5°
O1	C10	H9	114.1°	113.4°
O1	C10	H10	114.1°	113.4°
C10	C8	N1	115.5°	114.6°
C8	C10	H9	114.1°	113.4°
C8	C10	H10	114.1°	113.4°
C8	N1	H2	109.5°	111.1°
C8	N1	H3	109.5°	111.0°
H2	N1	H3	109.5°	110.9°
H5	C7	H6	109.5°	109.4°
H7	C9	H8	109.5°	112.7°
H9	C10	H10	109.5°	112.6°
H11	C3	H12	109.5°	109.4°
H11	C3	H13	109.5°	109.5°
H12	C3	H13	109.4°	109.5°
H14	C2	H15	109.4°	109.5°
H14	C2	H16	109.5°	109.5°
H15	C2	H16	109.5°	109.4°
H17	C	H18	109.5°	109.5°
H17	C	H19	109.5°	109.5°
H18	C	H19	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	C	119.6°	120.0°
C2	C1	C3	C4	119.9°	120.0°
C2	C1	C	C4	120.1°	120.0°
C2	C1	C4	O	161.5°	120.0°
C2	C1	C4	C5	19.0°	59.7°
C2	C1	C3	H11	180.0°	180.0°
C2	C1	C3	H12	60.0°	60.0°
C2	C1	C3	H13	60.0°	60.0°
C1	C2	H14	H15	120.0°	120.0°
C1	C2	H14	H16	120.0°	120.0°
C1	C2	H15	H16	120.0°	120.0°
C2	C1	C	H17	180.0°	180.0°
C2	C1	C	H18	60.0°	60.0°
C2	C1	C	H19	60.0°	60.0°
C3	C1	C	C4	120.4°	120.0°
C3	C1	C4	O	41.5°	0.0°
C3	C1	C4	C5	139.0°	179.7°
C1	C3	H11	H12	120.0°	120.0°
C1	C3	H11	H13	120.0°	120.0°
C1	C3	H12	H13	120.0°	120.0°
C3	C1	C2	H14	180.0°	60.0°
C3	C1	C2	H15	60.0°	60.0°
C3	C1	C2	H16	60.0°	180.0°
C3	C1	C	H17	60.5°	60.0°
C3	C1	C	H18	179.5°	60.0°
C3	C1	C	H19	59.5°	180.0°
C	C1	C4	O	78.3°	120.0°
C	C1	C4	C5	101.2°	60.3°
C	C1	C3	H11	60.3°	60.0°
C	C1	C3	H12	59.7°	180.0°
C	C1	C3	H13	179.6°	60.0°
C	C1	C2	H14	60.7°	60.0°
C	C1	C2	H15	179.3°	179.9°
C	C1	C2	H16	59.3°	60.0°
C1	C	H17	H18	120.0°	120.0°
C1	C	H17	H19	120.0°	120.0°
C1	C	H18	H19	120.0°	120.0°
C1	C4	O	C5	179.6°	179.8°
C1	C4	O	N	179.4°	179.7°
C1	C4	C5	C6	179.2°	179.8°
C1	C4	C5	H1	0.9°	0.2°
C4	C1	C3	H11	60.1°	60.0°
C4	C1	C3	H12	179.9°	60.0°
C4	C1	C3	H13	60.0°	180.0°
C4	C1	C2	H14	59.7°	180.0°
C4	C1	C2	H15	60.3°	60.0°
C4	C1	C2	H16	179.7°	60.0°
C4	C1	C	H17	59.9°	60.0°
C4	C1	C	H18	60.1°	180.0°
C4	C1	C	H19	179.9°	60.0°
O	C4	C5	C6	0.4°	0.0°
C4	O	N	C6	0.1°	0.0°
O	C4	C5	H1	179.6°	180.0°
C5	C4	O	N	0.2°	0.0°
C4	C5	C6	H1	180.0°	180.0°
C4	C5	C6	N	0.4°	0.0°
C4	C5	C6	C7	179.0°	179.9°
O	N	C6	C5	0.3°	0.0°
O	N	C6	C7	179.2°	179.9°
C5	C6	N	C7	179.5°	179.9°
C5	C6	C7	C8	88.3°	125.0°
C5	C6	C7	H5	151.4°	115.0°
C5	C6	C7	H6	32.0°	5.0°
N	C6	C7	C8	91.1°	54.9°
N	C6	C5	H1	179.5°	180.0°
N	C6	C7	H5	29.2°	65.1°
N	C6	C7	H6	148.6°	174.9°
C6	C7	C8	H5	120.3°	120.0°
C6	C7	C8	H6	120.3°	120.1°
C6	C7	C8	C9	52.1°	88.6°
C6	C7	C8	C10	147.8°	180.0°
C6	C7	C8	N1	78.7°	45.7°
C7	C6	C5	H1	1.0°	0.0°
C6	C7	H5	H6	119.0°	120.0°
C7	C8	C9	O1	97.6°	139.6°
C7	C8	C9	C10	114.7°	113.1°
C7	C8	C9	N1	130.1°	133.8°
C7	C8	C10	O1	99.0°	139.5°
C7	C8	C10	N1	131.5°	133.8°
C7	C8	N1	H2	180.0°	179.9°
C7	C8	N1	H3	60.0°	56.0°
C8	C7	H5	H6	119.1°	120.0°
C7	C8	C9	H7	145.9°	24.7°
C7	C8	C9	H8	19.0°	105.5°
C7	C8	C10	H9	17.5°	105.5°
C7	C8	C10	H10	144.5°	24.6°
O1	C9	C8	H7	116.6°	114.9°
O1	C9	C8	H8	116.6°	114.9°
O1	C9	C8	C10	17.1°	26.5°
O1	C9	C8	N1	132.3°	86.6°
O1	C9	H7	H8	129.3°	130.5°
C9	O1	C10	H9	134.6°	143.1°
C9	O1	C10	H10	98.4°	86.7°
C9	C8	C10	N1	112.5°	113.2°
C9	C8	N1	H2	47.4°	45.7°
C9	C8	N1	H3	72.6°	78.2°
C9	C8	C7	H5	172.4°	151.4°
C9	C8	C7	H6	68.2°	31.5°
C8	C9	H7	H8	129.3°	130.5°
C9	C8	C10	H9	133.6°	141.5°
C9	C8	C10	H10	99.4°	88.4°
O1	C10	C8	H9	116.5°	115.0°
O1	C10	C8	H10	116.5°	114.9°
O1	C10	C8	N1	129.5°	86.7°
C10	O1	C9	H7	98.4°	86.8°
C10	O1	C9	H8	134.7°	143.0°
O1	C10	H9	H10	129.3°	130.6°
C10	C8	N1	H2	46.9°	45.8°
C10	C8	N1	H3	166.9°	169.7°
C10	C8	C7	H5	91.9°	60.0°
C10	C8	C7	H6	27.5°	59.9°
C10	C8	C9	H7	99.5°	88.4°
C10	C8	C9	H8	133.7°	141.4°
C8	C10	H9	H10	129.4°	130.5°
C8	N1	H2	H3	120.0°	123.9°
N1	C8	C7	H5	41.6°	74.3°
N1	C8	C7	H6	161.0°	165.8°
N1	C8	C9	H7	15.8°	158.5°
N1	C8	C9	H8	111.1°	28.3°
N1	C8	C10	H9	114.0°	28.3°
N1	C8	C10	H10	13.0°	158.4°
H11	C3	H12	H13	120.0°	120.0°
H14	C2	H15	H16	120.0°	120.0°
H17	C	H18	H19	120.0°	120.0°

Release date:	2020-04-22
Definition date:	2017-10-20
Last modified:	2020-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	5QBB