Q7C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.23Å
O3	C7	doub	1.21Å	1.22Å
C	N	sing	1.35Å	1.32Å
C	C1	sing	1.51Å	1.51Å
C1	C2	sing	1.53Å	1.52Å
C7	C8	sing	1.51Å	1.52Å
C7	N1	sing	1.35Å	1.35Å
C2	N1	sing	1.47Å	1.46Å
N1	C3	sing	1.46Å	1.47Å
C4	C3	sing	1.54Å	1.53Å
C4	C5	sing	1.55Å	1.52Å
O1	S	doub	1.42Å	1.44Å
C3	C6	sing	1.54Å	1.54Å
C5	S	sing	1.83Å	1.65Å
C6	S	sing	1.83Å	1.79Å
S	O2	doub	1.42Å	1.44Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	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
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
N	H14	sing	0.97Å	1.00Å
N	H15	sing	0.97Å	1.00Å
C3	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	N	123.0°	120.0°
O	C	C1	121.1°	119.9°
O3	C7	C8	121.6°	120.0°
O3	C7	N1	120.1°	120.0°
N	C	C1	115.9°	120.0°
C	N	H14	120.0°	120.0°
C	N	H15	120.0°	120.0°
C	C1	C2	111.3°	109.5°
C	C1	H12	109.0°	109.5°
C	C1	H13	109.0°	109.5°
C1	C2	N1	113.0°	109.5°
C1	C2	H10	108.6°	109.5°
C1	C2	H11	108.6°	109.5°
C2	C1	H12	109.0°	109.5°
C2	C1	H13	109.0°	109.5°
C8	C7	N1	118.3°	120.0°
C7	C8	H7	109.5°	109.5°
C7	C8	H8	109.5°	109.5°
C7	C8	H9	109.5°	109.5°
C7	N1	C2	116.9°	120.0°
C7	N1	C3	124.2°	120.0°
C2	N1	C3	118.6°	120.0°
N1	C2	H10	108.6°	109.5°
N1	C2	H11	108.6°	109.4°
N1	C3	C4	104.6°	109.7°
N1	C3	C6	117.8°	109.6°
N1	C3	H16	108.2°	109.6°
C3	C4	C5	107.2°	106.6°
C4	C3	C6	110.8°	108.7°
C3	C4	H1	110.0°	110.0°
C3	C4	H2	110.0°	110.0°
C4	C3	H16	107.6°	109.7°
C4	C5	S	104.8°	102.6°
C5	C4	H1	110.0°	110.0°
C5	C4	H2	110.0°	110.1°
C4	C5	H3	110.6°	110.8°
C4	C5	H4	110.6°	110.8°
O1	S	C5	111.2°	109.3°
O1	S	C6	110.4°	109.4°
O1	S	O2	117.7°	120.0°
C3	C6	S	102.4°	105.1°
C3	C6	H5	111.2°	110.3°
C3	C6	H6	111.2°	110.4°
C6	C3	H16	107.5°	109.6°
C5	S	C6	95.7°	97.0°
C5	S	O2	109.7°	109.3°
S	C5	H3	110.6°	110.8°
S	C5	H4	110.6°	110.8°
C6	S	O2	110.0°	109.4°
S	C6	H5	111.2°	110.3°
S	C6	H6	111.2°	110.3°
H1	C4	H2	109.5°	110.0°
H3	C5	H4	109.4°	110.9°
H5	C6	H6	109.5°	110.3°
H7	C8	H8	109.5°	109.5°
H7	C8	H9	109.4°	109.5°
H8	C8	H9	109.5°	109.5°
H10	C2	H11	109.4°	109.5°
H12	C1	H13	109.5°	109.4°
H14	N	H15	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	N	C1	176.9°	180.0°
O	C	C1	C2	43.0°	0.0°
O	C	C1	H12	163.2°	120.0°
O	C	C1	H13	77.3°	120.1°
O	C	N	H14	0.0°	179.9°
O	C	N	H15	180.0°	0.0°
O3	C7	C8	N1	177.9°	180.0°
O3	C7	N1	C2	39.8°	175.8°
O3	C7	N1	C3	133.8°	4.5°
O3	C7	C8	H7	0.0°	174.7°
O3	C7	C8	H8	120.0°	54.8°
O3	C7	C8	H9	120.0°	65.3°
N	C	C1	C2	134.0°	180.0°
N	C	C1	H12	13.8°	60.0°
N	C	C1	H13	105.7°	59.9°
C	N	H14	H15	180.0°	179.9°
C	C1	C2	H12	120.3°	120.0°
C	C1	C2	H13	120.3°	120.1°
C	C1	C2	N1	155.9°	180.0°
C	C1	C2	H10	35.3°	60.0°
C	C1	C2	H11	83.6°	60.0°
C	C1	H12	H13	119.1°	120.0°
C1	C	N	H14	176.9°	0.1°
C1	C	N	H15	3.1°	180.0°
C1	C2	N1	C7	62.8°	84.8°
C1	C2	N1	H10	120.6°	120.0°
C1	C2	N1	H11	120.5°	119.9°
C1	C2	N1	C3	123.2°	95.5°
C1	C2	H10	H11	118.4°	120.0°
C2	C1	H12	H13	119.2°	120.0°
C8	C7	N1	C2	138.1°	4.2°
C8	C7	N1	C3	48.3°	175.4°
C7	C8	H7	H8	120.0°	120.0°
C7	C8	H7	H9	120.0°	120.0°
C7	C8	H8	H9	120.0°	120.1°
C7	N1	C2	C3	174.0°	179.7°
C7	N1	C3	C4	70.8°	60.0°
C7	N1	C3	C6	165.8°	59.3°
N1	C7	C8	H7	177.8°	5.3°
N1	C7	C8	H8	62.2°	125.3°
N1	C7	C8	H9	57.8°	114.7°
C7	N1	C2	H10	57.7°	35.2°
C7	N1	C2	H11	176.7°	155.2°
C7	N1	C3	H16	43.7°	179.6°
C2	N1	C3	C4	102.7°	119.7°
C2	N1	C3	C6	20.7°	121.1°
N1	C2	H10	H11	118.4°	120.0°
N1	C2	C1	H12	83.9°	60.0°
N1	C2	C1	H13	35.6°	60.0°
C2	N1	C3	H16	142.8°	0.8°
N1	C3	C4	C6	127.9°	119.8°
N1	C3	C4	H16	114.9°	120.4°
N1	C3	C4	C5	141.4°	167.0°
N1	C3	C6	H16	122.5°	120.3°
N1	C3	C6	S	106.1°	147.8°
N1	C3	C4	H1	99.0°	47.7°
N1	C3	C4	H2	21.8°	73.7°
N1	C3	C6	H5	12.7°	28.8°
N1	C3	C6	H6	135.0°	93.3°
C3	N1	C2	H10	116.2°	144.5°
C3	N1	C2	H11	2.7°	24.4°
C3	C4	C5	H1	119.6°	119.3°
C3	C4	C5	H2	119.6°	119.3°
C4	C3	C6	H16	117.2°	119.8°
C3	C4	C5	S	37.7°	42.4°
C4	C3	C6	S	14.1°	27.9°
C3	C4	H1	H2	121.1°	121.4°
C3	C4	C5	H3	81.6°	75.8°
C3	C4	C5	H4	157.0°	160.7°
C4	C3	C6	H5	133.0°	91.0°
C4	C3	C6	H6	104.7°	146.9°
C4	C5	S	O1	72.0°	90.2°
C5	C4	C3	C6	13.5°	47.2°
C4	C5	S	H3	119.3°	118.2°
C4	C5	S	H4	119.3°	118.3°
C4	C5	S	C6	42.5°	23.2°
C4	C5	S	O2	156.1°	136.6°
C5	C4	H1	H2	121.1°	121.5°
C4	C5	H3	H4	122.1°	123.4°
C5	C4	C3	H16	103.6°	72.6°
O1	S	C6	C3	81.6°	115.5°
O1	S	C5	C6	114.4°	113.4°
O1	S	C5	O2	131.9°	133.2°
O1	S	C6	O2	131.5°	133.2°
O1	S	C5	H3	168.7°	151.5°
O1	S	C5	H4	47.3°	28.0°
O1	S	C6	H5	37.2°	3.4°
O1	S	C6	H6	159.5°	125.5°
C3	C6	S	C5	33.5°	2.2°
C3	C6	S	H5	118.9°	118.9°
C3	C6	S	H6	118.9°	119.0°
C3	C6	S	O2	146.8°	111.2°
C6	C3	C4	H1	133.2°	72.1°
C6	C3	C4	H2	106.1°	166.5°
C3	C6	H5	H6	123.3°	122.2°
C5	S	C6	O2	113.4°	113.4°
S	C5	C4	H1	157.3°	76.9°
S	C5	C4	H2	81.9°	161.7°
S	C5	H3	H4	122.1°	123.4°
C5	S	C6	H5	152.3°	116.8°
C5	S	C6	H6	85.4°	121.1°
C6	S	C5	H3	76.8°	95.1°
C6	S	C5	H4	161.7°	141.4°
S	C6	H5	H6	123.3°	122.1°
S	C6	C3	H16	131.4°	91.9°
O2	S	C5	H3	36.8°	18.4°
O2	S	C5	H4	84.6°	105.1°
O2	S	C6	H5	94.3°	129.8°
O2	S	C6	H6	28.0°	7.7°
H1	C4	C5	H3	38.1°	164.9°
H1	C4	C5	H4	83.4°	41.4°
H1	C4	C3	H16	16.0°	168.2°
H2	C4	C5	H3	158.8°	43.5°
H2	C4	C5	H4	37.3°	80.0°
H2	C4	C3	H16	136.7°	46.8°
H5	C6	C3	H16	109.7°	149.2°
H6	C6	C3	H16	12.5°	27.0°
H7	C8	H8	H9	120.0°	120.0°
H10	C2	C1	H12	155.6°	180.0°
H10	C2	C1	H13	85.0°	60.0°
H11	C2	C1	H12	36.7°	60.0°
H11	C2	C1	H13	156.1°	179.9°

Release date:	2023-11-08
Definition date:	2023-08-18
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GHI