NUG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	S1	sing	1.84Å	1.68Å
C7	C6	sing	1.51Å	1.35Å
S1	C8	sing	1.84Å	1.70Å
C6	C5	doub	1.29Å	1.43Å
C8	C5	sing	1.51Å	1.39Å
C5	C4	sing	1.51Å	1.51Å
C2	C3	sing	1.53Å	1.51Å
C2	C1	sing	1.53Å	1.52Å
C3	N1	sing	1.47Å	1.46Å
N1	C4	sing	1.47Å	1.46Å
N1	C9	sing	1.47Å	1.47Å
O1	C1	sing	1.43Å	1.41Å
C1	C10	sing	1.53Å	1.52Å
C10	C9	sing	1.53Å	1.52Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C6	H5	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å
O1	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	C7	C6	110.1°	102.5°
C7	S1	C8	91.8°	93.8°
S1	C7	H7	109.3°	110.8°
S1	C7	H8	109.3°	110.8°
C7	C6	C5	113.0°	117.5°
C7	C6	H5	123.5°	121.3°
C6	C7	H7	109.3°	110.6°
C6	C7	H8	109.3°	111.0°
S1	C8	C5	111.2°	102.5°
S1	C8	H9	109.0°	110.9°
S1	C8	H10	109.0°	110.9°
C6	C5	C8	109.2°	117.5°
C6	C5	C4	127.2°	121.3°
C5	C6	H5	123.5°	121.2°
C8	C5	C4	123.5°	121.3°
C5	C8	H9	109.1°	110.8°
C5	C8	H10	109.0°	110.8°
C5	C4	N1	115.9°	109.4°
C5	C4	H2	107.8°	109.5°
C5	C4	H3	107.8°	109.5°
C3	C2	C1	111.3°	109.3°
C2	C3	N1	111.0°	109.5°
C3	C2	H14	109.0°	109.5°
C3	C2	H15	109.0°	109.5°
C2	C3	H16	109.1°	109.4°
C2	C3	H17	109.1°	109.5°
C2	C1	O1	110.0°	109.6°
C2	C1	C10	110.0°	109.2°
C2	C1	H13	108.5°	109.5°
C1	C2	H14	109.0°	109.5°
C1	C2	H15	109.0°	109.5°
C3	N1	C4	111.3°	111.0°
C3	N1	C9	110.5°	111.2°
N1	C3	H16	109.1°	109.5°
N1	C3	H17	109.1°	109.5°
C4	N1	C9	109.8°	111.0°
N1	C4	H2	107.8°	109.5°
N1	C4	H3	107.9°	109.5°
N1	C9	C10	111.7°	109.5°
N1	C9	H18	108.9°	109.5°
N1	C9	H19	108.9°	109.5°
O1	C1	C10	110.0°	109.5°
O1	C1	H13	109.9°	109.6°
C1	O1	H20	109.5°	114.0°
C1	C10	C9	111.5°	109.3°
C1	C10	H11	109.0°	109.5°
C1	C10	H12	109.0°	109.6°
C10	C1	H13	108.5°	109.5°
C9	C10	H11	108.9°	109.5°
C9	C10	H12	108.9°	109.5°
C10	C9	H18	108.9°	109.4°
C10	C9	H19	108.9°	109.5°
H2	C4	H3	109.5°	109.5°
H7	C7	H8	109.5°	110.8°
H9	C8	H10	109.5°	110.7°
H11	C10	H12	109.5°	109.5°
H14	C2	H15	109.5°	109.5°
H16	C3	H17	109.5°	109.4°
H18	C9	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C7	C6	H7	120.1°	118.2°
S1	C7	C6	H8	120.1°	118.4°
S1	C7	C6	C5	20.4°	16.3°
C7	S1	C8	C5	15.6°	21.6°
S1	C7	C6	H5	159.6°	163.8°
S1	C7	H7	H8	119.7°	123.5°
C7	S1	C8	H9	135.8°	96.6°
C7	S1	C8	H10	104.7°	140.0°
C6	C7	S1	C8	20.5°	21.6°
C7	C6	C5	H5	180.0°	179.9°
C7	C6	C5	C8	8.8°	0.2°
C7	C6	C5	C4	172.6°	180.0°
C6	C7	H7	H8	119.7°	123.5°
S1	C8	C5	C6	6.7°	16.6°
S1	C8	C5	H9	120.2°	118.3°
S1	C8	C5	H10	120.2°	118.4°
S1	C8	C5	C4	172.0°	163.6°
C8	S1	C7	H7	99.6°	139.6°
C8	S1	C7	H8	140.6°	96.9°
S1	C8	H9	H10	119.2°	123.5°
C6	C5	C8	C4	178.7°	179.8°
C6	C5	C4	N1	83.8°	95.0°
C6	C5	C4	H2	37.1°	25.0°
C6	C5	C4	H3	155.3°	145.0°
C5	C6	C7	H7	99.7°	134.5°
C5	C6	C7	H8	140.5°	102.0°
C6	C5	C8	H9	126.9°	101.7°
C6	C5	C8	H10	113.6°	135.0°
C8	C5	C4	N1	97.8°	85.3°
C8	C5	C4	H2	141.3°	154.8°
C8	C5	C4	H3	23.1°	34.8°
C8	C5	C6	H5	171.2°	179.7°
C5	C8	H9	H10	119.2°	123.4°
C5	C4	N1	C3	57.3°	65.8°
C5	C4	N1	H2	120.9°	120.0°
C5	C4	N1	H3	120.9°	120.0°
C5	C4	N1	C9	180.0°	170.0°
C5	C4	H2	H3	117.1°	120.0°
C4	C5	C6	H5	7.4°	0.0°
C4	C5	C8	H9	51.7°	78.0°
C4	C5	C8	H10	67.8°	45.3°
C3	C2	C1	H14	120.3°	119.9°
C3	C2	C1	H15	120.3°	119.9°
C2	C3	N1	H16	120.2°	120.0°
C2	C3	N1	H17	120.2°	120.0°
C2	C3	N1	C4	178.2°	174.2°
C2	C3	N1	C9	59.5°	61.8°
C3	C2	C1	O1	174.5°	177.6°
C3	C2	C1	C10	53.2°	57.6°
C3	C2	C1	H13	65.3°	62.2°
C3	C2	H14	H15	119.2°	120.1°
C2	C3	H16	H17	119.3°	120.0°
C1	C2	C3	N1	57.5°	59.2°
C2	C1	O1	C10	121.3°	119.7°
C2	C1	O1	H13	119.4°	120.2°
C2	C1	C10	H13	118.5°	119.9°
C2	C1	C10	C9	52.0°	57.7°
C2	C1	C10	H11	172.3°	177.6°
C2	C1	C10	H12	68.3°	62.3°
C1	C2	H14	H15	119.2°	120.1°
C1	C2	C3	H16	177.7°	60.8°
C1	C2	C3	H17	62.8°	179.2°
C2	C1	O1	H20	180.0°	60.3°
C3	N1	C4	C9	122.7°	124.2°
C3	N1	C9	C10	58.6°	61.7°
C3	N1	C4	H2	178.2°	54.2°
C3	N1	C4	H3	63.6°	174.2°
N1	C3	C2	H14	177.7°	60.7°
N1	C3	C2	H15	62.8°	179.1°
N1	C3	H16	H17	119.3°	120.0°
C3	N1	C9	H18	178.9°	178.3°
C3	N1	C9	H19	61.8°	58.3°
C4	N1	C9	C10	178.2°	174.2°
N1	C4	H2	H3	117.1°	120.0°
C4	N1	C3	H16	57.9°	65.8°
C4	N1	C3	H17	61.6°	54.1°
C4	N1	C9	H18	57.9°	54.1°
C4	N1	C9	H19	61.4°	65.8°
N1	C9	C10	C1	55.3°	59.2°
N1	C9	C10	H18	120.3°	120.0°
N1	C9	C10	H19	120.3°	120.0°
C9	N1	C4	H2	59.0°	70.0°
C9	N1	C4	H3	59.1°	50.0°
N1	C9	C10	H11	175.6°	179.1°
N1	C9	C10	H12	65.0°	60.9°
C9	N1	C3	H16	179.7°	58.2°
C9	N1	C3	H17	60.7°	178.2°
N1	C9	H18	H19	119.0°	120.0°
O1	C1	C10	H13	120.2°	120.2°
O1	C1	C10	C9	173.3°	177.6°
O1	C1	C10	H11	66.4°	62.4°
O1	C1	C10	H12	53.0°	57.7°
O1	C1	C2	H14	65.2°	57.7°
O1	C1	C2	H15	54.2°	62.5°
C1	C10	C9	H11	120.3°	119.9°
C1	C10	C9	H12	120.3°	120.0°
C1	C10	H11	H12	119.1°	120.2°
C10	C1	C2	H14	173.5°	62.3°
C10	C1	C2	H15	67.1°	177.6°
C1	C10	C9	H18	175.6°	179.2°
C1	C10	C9	H19	65.0°	60.8°
C10	C1	O1	H20	58.7°	180.0°
C9	C10	H11	H12	119.0°	120.0°
C9	C10	C1	H13	66.5°	62.2°
C10	C9	H18	H19	119.0°	120.0°
H5	C6	C7	H7	80.3°	45.6°
H5	C6	C7	H8	39.5°	77.9°
H11	C10	C1	H13	53.8°	57.7°
H11	C10	C9	H18	64.0°	60.9°
H11	C10	C9	H19	55.3°	59.1°
H12	C10	C1	H13	173.2°	177.8°
H12	C10	C9	H18	55.3°	59.2°
H12	C10	C9	H19	174.7°	179.1°
H13	C1	C2	H14	55.0°	177.9°
H13	C1	C2	H15	174.4°	57.7°
H13	C1	O1	H20	60.6°	59.9°
H14	C2	C3	H16	62.0°	179.2°
H14	C2	C3	H17	57.5°	59.3°
H15	C2	C3	H16	57.4°	59.1°
H15	C2	C3	H17	177.0°	60.8°

Release date:	2019-08-07
Definition date:	2019-05-28
Last modified:	2019-08-02
Release status:	REL
Processing site:	RCSB
Derived from:	5QQY