A1BDG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.43Å	1.42Å
C	C1	sing	1.53Å	1.52Å
C1	N	sing	1.47Å	1.49Å
N	S	sing	1.66Å	1.64Å
C2	S	sing	1.81Å	1.75Å
O1	S	doub	1.42Å	1.43Å
S	O2	doub	1.42Å	1.43Å
C3	N	sing	1.47Å	1.49Å
C4	C3	sing	1.53Å	1.52Å
C5	C3	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.52Å
C7	C6	sing	1.53Å	1.52Å
C1	C7	sing	1.53Å	1.52Å
C4	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
O	H2	sing	0.97Å	0.95Å
C1	H	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C3	H1	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	110.1°	109.5°
O	C	H3	109.3°	109.5°
O	C	H4	109.3°	109.4°
C	O	H2	109.5°	114.0°
C	C1	N	110.6°	109.6°
C	C1	C7	112.4°	109.6°
C1	C	H3	109.3°	109.5°
C1	C	H4	109.3°	109.5°
C	C1	H	107.9°	109.6°
C1	N	S	117.3°	120.6°
C1	N	C3	124.2°	118.8°
N	C1	C7	109.6°	108.8°
N	C1	H	108.3°	109.6°
N	S	C2	107.0°	104.5°
N	S	O1	106.2°	104.3°
N	S	O2	106.2°	104.2°
S	N	C3	114.9°	120.6°
C2	S	O1	108.9°	110.6°
C2	S	O2	108.7°	110.6°
S	C2	H5	109.5°	109.5°
S	C2	H6	109.4°	109.4°
S	C2	H7	109.5°	109.5°
O1	S	O2	119.2°	121.0°
N	C3	C4	112.4°	109.6°
N	C3	C5	113.7°	108.8°
N	C3	H1	105.7°	109.7°
C4	C3	C5	113.3°	109.5°
C3	C4	H9	109.5°	109.5°
C3	C4	H10	109.5°	109.5°
C3	C4	H8	109.4°	109.5°
C4	C3	H1	105.4°	109.6°
C3	C5	C6	113.3°	109.3°
C3	C5	H11	108.5°	109.5°
C3	C5	H12	108.5°	109.5°
C5	C3	H1	105.3°	109.6°
C5	C6	C7	112.4°	109.5°
C6	C5	H11	108.5°	109.5°
C6	C5	H12	108.5°	109.5°
C5	C6	H14	108.8°	109.4°
C5	C6	H13	108.7°	109.5°
C6	C7	C1	109.2°	109.3°
C7	C6	H14	108.7°	109.5°
C7	C6	H13	108.7°	109.5°
C6	C7	H16	109.5°	109.5°
C6	C7	H15	109.6°	109.5°
C1	C7	H16	109.6°	109.5°
C1	C7	H15	109.5°	109.5°
C7	C1	H	107.9°	109.7°
H9	C4	H10	109.5°	109.5°
H9	C4	H8	109.4°	109.5°
H10	C4	H8	109.5°	109.4°
H11	C5	H12	109.5°	109.5°
H14	C6	H13	109.5°	109.5°
H16	C7	H15	109.5°	109.6°
H3	C	H4	109.5°	109.5°
H5	C2	H6	109.5°	109.4°
H5	C2	H7	109.5°	109.5°
H6	C2	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	H3	120.1°	120.0°
O	C	C1	H4	120.1°	120.0°
O	C	C1	N	11.0°	55.0°
O	C	C1	C7	111.9°	64.3°
O	C	H3	H4	119.7°	120.0°
O	C	C1	H	129.2°	175.3°
C	C1	N	C7	124.5°	119.8°
C	C1	N	H	118.0°	120.3°
C	C1	N	S	82.4°	6.6°
C	C1	N	C3	120.2°	173.4°
C	C1	C7	C6	169.0°	174.4°
C	C1	C7	H	118.9°	120.4°
C	C1	C7	H16	71.0°	65.6°
C	C1	C7	H15	49.0°	54.5°
C1	C	H3	H4	119.7°	120.0°
C1	C	O	H2	57.8°	180.0°
C1	N	S	C3	159.6°	180.0°
C1	N	S	C2	173.7°	94.3°
C1	N	S	O1	70.1°	149.6°
C1	N	S	O2	57.7°	21.8°
C1	N	C3	C4	95.4°	173.4°
C1	N	C3	C5	35.1°	53.6°
N	C1	C7	C6	45.6°	54.6°
N	C1	C7	H	117.7°	119.8°
N	C1	C7	H16	165.5°	174.5°
N	C1	C7	H15	74.4°	65.3°
N	C1	C	H3	131.1°	175.0°
N	C1	C	H4	109.1°	64.9°
C1	N	C3	H1	150.1°	66.3°
N	S	C2	O1	114.3°	111.7°
N	S	C2	O2	114.3°	111.6°
N	S	O1	O2	119.7°	116.7°
S	N	C3	C4	106.7°	6.6°
S	N	C3	C5	122.9°	126.4°
S	N	C1	C7	153.1°	126.4°
S	N	C1	H	35.6°	113.7°
N	S	C2	H5	180.0°	69.0°
N	S	C2	H6	60.0°	171.0°
N	S	C2	H7	60.0°	51.0°
S	N	C3	H1	7.9°	113.8°
C2	S	O1	O2	125.4°	131.6°
C2	S	N	C3	14.2°	85.7°
S	C2	H5	H6	120.0°	119.9°
S	C2	H5	H7	120.0°	120.0°
S	C2	H6	H7	120.0°	120.0°
O1	S	N	C3	130.4°	30.5°
O1	S	C2	H5	65.6°	42.6°
O1	S	C2	H6	54.4°	77.3°
O1	S	C2	H7	174.3°	162.6°
O2	S	N	C3	101.8°	158.2°
O2	S	C2	H5	65.7°	179.4°
O2	S	C2	H6	174.3°	59.5°
O2	S	C2	H7	54.4°	60.6°
N	C3	C4	C5	130.6°	119.3°
N	C3	C4	H1	114.7°	120.4°
N	C3	C5	H1	115.3°	119.9°
N	C3	C5	C6	12.3°	54.6°
C3	N	C1	C7	4.4°	53.6°
N	C3	C4	H9	180.0°	164.7°
N	C3	C4	H10	60.0°	75.3°
N	C3	C4	H8	60.0°	44.7°
N	C3	C5	H11	108.3°	65.3°
N	C3	C5	H12	132.9°	174.6°
C3	N	C1	H	121.9°	66.3°
C4	C3	C5	H1	114.7°	120.3°
C4	C3	C5	C6	117.7°	174.4°
C3	C4	H9	H10	120.0°	120.0°
C3	C4	H9	H8	120.0°	120.0°
C3	C4	H10	H8	120.0°	120.0°
C4	C3	C5	H11	121.7°	54.5°
C4	C3	C5	H12	2.9°	65.6°
C3	C5	C6	H11	120.6°	120.0°
C3	C5	C6	H12	120.6°	120.0°
C3	C5	C6	C7	36.3°	61.4°
C5	C3	C4	H9	49.3°	45.5°
C5	C3	C4	H10	169.3°	165.5°
C5	C3	C4	H8	70.6°	74.6°
C3	C5	H11	H12	118.3°	120.1°
C3	C5	C6	H14	84.1°	58.6°
C3	C5	C6	H13	156.7°	178.6°
C5	C6	C7	H14	120.4°	120.0°
C5	C6	C7	H13	120.4°	120.1°
C5	C6	C7	C1	68.4°	61.3°
C6	C5	H11	H12	118.3°	120.1°
C5	C6	H14	H13	118.7°	120.0°
C5	C6	C7	H16	171.6°	178.7°
C5	C6	C7	H15	51.5°	58.6°
C6	C5	C3	H1	127.6°	65.3°
C6	C7	C1	H16	120.0°	119.9°
C6	C7	C1	H15	120.0°	119.9°
C7	C6	C5	H11	156.9°	58.6°
C7	C6	C5	H12	84.3°	178.7°
C7	C6	H14	H13	118.7°	120.0°
C6	C7	H16	H15	120.1°	120.1°
C6	C7	C1	H	72.1°	65.2°
C1	C7	C6	H14	52.0°	58.6°
C1	C7	C6	H13	171.2°	178.6°
C1	C7	H16	H15	120.1°	120.1°
C7	C1	C	H3	8.2°	55.7°
C7	C1	C	H4	128.0°	175.7°
H9	C4	H10	H8	120.0°	120.0°
H9	C4	C3	H1	65.3°	74.8°
H10	C4	C3	H1	54.7°	45.2°
H8	C4	C3	H1	174.7°	165.2°
H11	C5	C6	H14	36.5°	178.6°
H11	C5	C6	H13	82.7°	61.4°
H11	C5	C3	H1	7.0°	174.8°
H12	C5	C6	H14	155.3°	61.3°
H12	C5	C6	H13	36.2°	58.6°
H12	C5	C3	H1	111.8°	54.7°
H14	C6	C7	H16	67.9°	61.3°
H14	C6	C7	H15	172.0°	178.6°
H13	C6	C7	H16	51.2°	58.6°
H13	C6	C7	H15	68.9°	61.5°
H16	C7	C1	H	47.8°	54.7°
H15	C7	C1	H	167.9°	174.9°
H3	C	O	H2	177.9°	60.0°
H3	C	C1	H	110.7°	64.7°
H4	C	O	H2	62.3°	60.0°
H4	C	C1	H	9.1°	55.3°
H5	C2	H6	H7	120.0°	120.0°

Release date:	2024-10-30
Definition date:	2024-10-15
Last modified:	2024-10-25
Release status:	REL
Processing site:	RCSB
Derived from:	7HKZ