GZY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C10	sing	1.36Å	1.36Å
O1	C11	sing	1.43Å	1.41Å
C9	C10	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
C10	C12	sing	1.39Å	1.42Å	Aromatic
C8	C7	doub	1.38Å	1.40Å	Aromatic
C3	C4	sing	1.55Å	1.51Å
C3	C2	sing	1.55Å	1.53Å
C12	C6	doub	1.38Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.40Å	Aromatic
C4	C5	sing	1.54Å	1.53Å
C6	C5	sing	1.51Å	1.50Å
C2	N	sing	1.48Å	1.46Å
C5	N	sing	1.47Å	1.49Å
N	C1	sing	1.35Å	1.33Å
C1	O	doub	1.21Å	1.35Å
C1	C	sing	1.51Å	1.37Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O1	C11	117.5°	117.0°
O1	C10	C9	118.3°	120.1°
O1	C10	C12	120.2°	120.0°
O1	C11	H14	109.5°	109.5°
O1	C11	H15	109.5°	109.5°
O1	C11	H16	109.4°	109.4°
C10	C9	C8	117.9°	119.9°
C9	C10	C12	121.5°	119.9°
C10	C9	H17	121.1°	120.1°
C9	C8	C7	121.2°	120.0°
C9	C8	H5	119.4°	120.0°
C8	C9	H17	121.0°	120.0°
C10	C12	C6	120.4°	119.9°
C10	C12	H13	119.8°	120.0°
C8	C7	C6	121.5°	120.2°
C8	C7	H4	119.2°	119.9°
C7	C8	H5	119.4°	120.0°
C4	C3	C2	105.0°	101.6°
C3	C4	C5	104.0°	103.0°
C3	C4	H1	110.8°	110.8°
C3	C4	H2	110.8°	110.8°
C4	C3	H9	110.6°	111.0°
C4	C3	H10	110.6°	111.1°
C3	C2	N	105.0°	104.8°
C2	C3	H9	110.6°	110.9°
C2	C3	H10	110.6°	111.0°
C3	C2	H11	110.6°	110.4°
C3	C2	H12	110.5°	110.4°
C12	C6	C7	117.4°	120.0°
C12	C6	C5	122.6°	120.0°
C6	C12	H13	119.8°	120.0°
C7	C6	C5	119.9°	120.0°
C6	C7	H4	119.2°	119.9°
C4	C5	C6	107.3°	109.9°
C4	C5	N	103.1°	107.3°
C5	C4	H1	110.8°	110.7°
C5	C4	H2	110.8°	110.7°
C4	C5	H3	109.8°	109.9°
C6	C5	N	115.9°	109.9°
C6	C5	H3	110.1°	110.0°
C2	N	C5	111.2°	108.7°
C2	N	C1	125.6°	125.6°
N	C2	H11	110.6°	110.3°
N	C2	H12	110.6°	110.4°
C5	N	C1	123.0°	125.7°
N	C5	H3	110.3°	109.9°
N	C1	O	116.4°	120.0°
N	C1	C	124.7°	120.0°
O	C1	C	118.1°	120.0°
C1	C	H6	109.5°	109.5°
C1	C	H7	109.5°	109.5°
C1	C	H8	109.5°	109.4°
H1	C4	H2	109.5°	110.6°
H6	C	H7	109.5°	109.5°
H6	C	H8	109.5°	109.4°
H7	C	H8	109.5°	109.5°
H9	C3	H10	109.5°	110.9°
H11	C2	H12	109.5°	110.5°
H14	C11	H15	109.4°	109.5°
H14	C11	H16	109.5°	109.5°
H15	C11	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C10	C9	C12	179.0°	179.9°
O1	C10	C9	C8	179.5°	179.8°
O1	C10	C12	C6	178.9°	179.9°
O1	C10	C12	H13	1.1°	0.1°
C10	O1	C11	H14	180.0°	60.0°
C10	O1	C11	H15	60.0°	60.0°
C10	O1	C11	H16	60.0°	180.0°
O1	C10	C9	H17	0.5°	0.1°
C11	O1	C10	C9	130.8°	0.1°
C11	O1	C10	C12	48.2°	180.0°
O1	C11	H14	H15	120.0°	120.0°
O1	C11	H14	H16	120.0°	120.0°
O1	C11	H15	H16	120.0°	120.0°
C10	C9	C8	H17	180.0°	179.7°
C10	C9	C8	C7	1.0°	0.3°
C9	C10	C12	C6	0.0°	0.1°
C10	C9	C8	H5	179.0°	179.7°
C9	C10	C12	H13	179.9°	180.0°
C8	C9	C10	C12	0.5°	0.4°
C9	C8	C7	H5	180.0°	180.0°
C9	C8	C7	C6	0.9°	0.1°
C9	C8	C7	H4	179.1°	180.0°
C10	C12	C6	H13	180.0°	179.9°
C10	C12	C6	C7	0.2°	0.3°
C10	C12	C6	C5	179.2°	180.0°
C12	C10	C9	H17	179.5°	180.0°
C8	C7	C6	C12	0.3°	0.4°
C8	C7	C6	H4	180.0°	179.9°
C8	C7	C6	C5	178.8°	180.0°
C7	C8	C9	H17	179.0°	180.0°
C4	C3	C2	H9	119.3°	118.1°
C4	C3	C2	H10	119.3°	118.1°
C3	C4	C5	H1	119.1°	118.4°
C3	C4	C5	H2	119.1°	118.5°
C3	C4	C5	C6	91.0°	141.6°
C4	C3	C2	N	22.0°	37.0°
C3	C4	C5	N	31.8°	22.2°
C3	C4	H1	H2	122.5°	123.3°
C3	C4	C5	H3	149.4°	97.2°
C4	C3	H9	H10	122.1°	124.0°
C4	C3	C2	H11	141.3°	155.8°
C4	C3	C2	H12	97.3°	81.8°
C2	C3	C4	C5	33.5°	35.5°
C3	C2	N	H11	119.3°	118.8°
C3	C2	N	H12	119.3°	118.8°
C3	C2	N	C5	1.7°	24.2°
C3	C2	N	C1	174.1°	155.9°
C2	C3	C4	H1	85.6°	82.9°
C2	C3	C4	H2	152.7°	154.0°
C2	C3	H9	H10	122.1°	123.9°
C3	C2	H11	H12	122.0°	122.3°
C12	C6	C7	C5	179.0°	179.7°
C12	C6	C5	C4	99.7°	100.3°
C12	C6	C5	N	14.8°	141.9°
C12	C6	C5	H3	140.9°	20.8°
C12	C6	C7	H4	179.7°	179.7°
C7	C6	C5	C4	79.3°	80.0°
C7	C6	C5	N	166.2°	37.8°
C7	C6	C5	H3	40.1°	158.9°
C6	C7	C8	H5	179.1°	180.0°
C7	C6	C12	H13	179.8°	179.6°
C4	C5	C6	N	114.5°	117.8°
C4	C5	C6	H3	119.4°	121.1°
C4	C5	N	C2	18.9°	1.1°
C4	C5	N	H3	117.2°	119.4°
C4	C5	N	C1	165.2°	179.0°
C5	C4	H1	H2	122.5°	123.1°
C5	C4	C3	H9	85.7°	153.5°
C5	C4	C3	H10	152.8°	82.5°
C6	C5	N	C2	98.0°	118.3°
C6	C5	N	H3	126.0°	121.1°
C6	C5	N	C1	77.9°	61.6°
C6	C5	C4	H1	149.9°	23.2°
C6	C5	C4	H2	28.2°	99.8°
C5	C6	C7	H4	1.3°	0.0°
C5	C6	C12	H13	0.8°	0.1°
C2	N	C5	C1	175.9°	179.9°
C2	N	C1	O	151.6°	179.9°
C2	N	C1	C	18.1°	0.0°
C2	N	C5	H3	136.0°	120.5°
N	C2	C3	H9	97.3°	155.1°
N	C2	C3	H10	141.3°	81.1°
N	C2	H11	H12	122.1°	122.3°
C5	N	C1	O	23.7°	0.0°
C5	N	C1	C	166.6°	179.9°
N	C5	C4	H1	87.3°	96.2°
N	C5	C4	H2	150.9°	140.7°
C5	N	C2	H11	121.0°	143.0°
C5	N	C2	H12	117.6°	94.6°
N	C1	O	C	170.5°	180.0°
C1	N	C5	H3	48.1°	59.6°
N	C1	C	H6	169.6°	180.0°
N	C1	C	H7	49.6°	60.0°
N	C1	C	H8	70.4°	60.1°
C1	N	C2	H11	54.8°	37.1°
C1	N	C2	H12	66.7°	85.3°
O	C1	C	H6	0.0°	0.0°
O	C1	C	H7	120.0°	120.0°
O	C1	C	H8	120.0°	120.0°
C1	C	H6	H7	120.0°	120.0°
C1	C	H6	H8	120.0°	119.9°
C1	C	H7	H8	120.0°	120.0°
H1	C4	C5	H3	30.2°	144.4°
H1	C4	C3	H9	155.1°	35.1°
H1	C4	C3	H10	33.7°	159.0°
H2	C4	C5	H3	91.5°	21.3°
H2	C4	C3	H9	33.4°	88.0°
H2	C4	C3	H10	88.0°	35.9°
H4	C7	C8	H5	0.9°	0.0°
H5	C8	C9	H17	1.0°	0.0°
H6	C	H7	H8	120.0°	120.0°
H9	C3	C2	H11	22.0°	86.1°
H9	C3	C2	H12	143.4°	36.3°
H10	C3	C2	H11	99.4°	37.7°
H10	C3	C2	H12	22.0°	160.1°
H14	C11	H15	H16	120.0°	120.1°

Release date:	2019-03-27
Definition date:	2018-06-08
Last modified:	2019-03-22
Release status:	REL
Processing site:	RCSB
Derived from:	5QH9