SO7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C11	doub	1.21Å	1.23Å
C11	N1	sing	1.35Å	1.46Å
C11	C9	sing	1.51Å	1.51Å
C13	N1	sing	1.46Å	1.51Å
C10	C9	sing	1.55Å	1.54Å
C10	C	sing	1.51Å	1.52Å
N1	O3	sing	1.42Å	1.39Å
C9	C8	sing	1.55Å	1.56Å
C	O	doub	1.21Å	1.22Å
C	N	sing	1.34Å	1.41Å
C8	N	sing	1.47Å	1.47Å
N	C1	sing	1.40Å	1.43Å
O3	C12	sing	1.43Å	1.44Å
C1	C2	doub	1.39Å	1.40Å	Aromatic
C1	C7	sing	1.39Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C7	C6	doub	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C6	C4	sing	1.39Å	1.39Å	Aromatic
C4	O1	sing	1.36Å	1.38Å
C5	O1	sing	1.43Å	1.42Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.08Å	1.08Å
C3	H17	sing	1.08Å	1.08Å
C9	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C11	N1	117.9°	120.0°
O2	C11	C9	124.1°	120.0°
N1	C11	C9	118.0°	120.0°
C11	N1	C13	117.0°	120.0°
C11	N1	O3	113.8°	119.9°
C11	C9	C10	113.4°	111.0°
C11	C9	C8	111.7°	111.0°
C11	C9	H18	109.4°	110.9°
C13	N1	O3	111.1°	120.1°
N1	C13	H10	109.5°	109.4°
N1	C13	H11	109.4°	109.5°
N1	C13	H12	109.5°	109.4°
C9	C10	C	101.7°	104.2°
C10	C9	C8	104.2°	101.7°
C9	C10	H8	111.4°	110.5°
C9	C10	H9	111.4°	110.5°
C10	C9	H18	109.1°	111.0°
C10	C	O	126.0°	124.9°
C10	C	N	108.0°	110.1°
C	C10	H8	111.4°	110.5°
C	C10	H9	111.4°	110.5°
N1	O3	C12	110.6°	114.0°
C9	C8	N	101.1°	105.5°
C9	C8	H6	111.5°	110.2°
C9	C8	H7	111.5°	110.3°
C8	C9	H18	108.9°	111.0°
O	C	N	126.0°	125.0°
C	N	C8	112.3°	111.3°
C	N	C1	126.7°	124.3°
C8	N	C1	121.0°	124.4°
N	C8	H6	111.6°	110.3°
N	C8	H7	111.5°	110.3°
N	C1	C2	120.5°	120.0°
N	C1	C7	119.1°	120.0°
O3	C12	H13	109.5°	109.5°
O3	C12	H14	109.5°	109.5°
O3	C12	H15	109.5°	109.5°
C2	C1	C7	120.4°	120.0°
C1	C2	C3	120.0°	120.0°
C1	C2	H16	120.0°	120.0°
C1	C7	C6	119.6°	120.0°
C1	C7	H5	120.2°	120.0°
C2	C3	C4	118.9°	120.0°
C3	C2	H16	120.0°	120.0°
C2	C3	H17	120.5°	120.0°
C7	C6	C4	119.0°	120.0°
C7	C6	H4	120.5°	120.0°
C6	C7	H5	120.2°	120.0°
C3	C4	C6	122.0°	120.1°
C3	C4	O1	117.9°	119.9°
C4	C3	H17	120.6°	120.0°
C6	C4	O1	120.0°	120.0°
C4	C6	H4	120.5°	120.0°
C4	O1	C5	111.8°	117.0°
O1	C5	H1	109.5°	109.4°
O1	C5	H2	109.5°	109.5°
O1	C5	H3	109.4°	109.4°
H1	C5	H2	109.5°	109.5°
H1	C5	H3	109.5°	109.5°
H2	C5	H3	109.5°	109.5°
H6	C8	H7	109.4°	110.2°
H8	C10	H9	109.5°	110.5°
H10	C13	H11	109.5°	109.5°
H10	C13	H12	109.4°	109.5°
H11	C13	H12	109.4°	109.5°
H13	C12	H14	109.5°	109.5°
H13	C12	H15	109.5°	109.5°
H14	C12	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C11	N1	C9	179.6°	180.0°
O2	C11	N1	C13	27.8°	175.8°
O2	C11	C9	C10	29.3°	108.3°
O2	C11	N1	O3	159.5°	4.4°
O2	C11	C9	C8	87.9°	4.0°
O2	C11	C9	H18	151.4°	127.9°
C11	N1	C13	O3	133.0°	179.8°
N1	C11	C9	C10	150.2°	71.7°
N1	C11	C9	C8	92.5°	175.9°
C11	N1	O3	C12	119.2°	96.3°
C11	N1	C13	H10	180.0°	89.8°
C11	N1	C13	H11	60.0°	30.2°
C11	N1	C13	H12	60.0°	150.3°
N1	C11	C9	H18	28.1°	52.1°
C9	C11	N1	C13	152.7°	4.2°
C11	C9	C10	C8	121.6°	118.1°
C11	C9	C10	H18	122.2°	123.8°
C11	C9	C10	C	156.0°	93.3°
C9	C11	N1	O3	20.9°	175.6°
C11	C9	C8	H18	121.0°	123.8°
C11	C9	C8	N	155.9°	92.7°
C11	C9	C8	H6	37.3°	148.3°
C11	C9	C8	H7	85.4°	26.4°
C11	C9	C10	H8	85.3°	25.4°
C11	C9	C10	H9	37.3°	148.0°
C13	N1	O3	C12	106.2°	83.9°
N1	C13	H10	H11	120.0°	120.0°
N1	C13	H10	H12	120.0°	119.9°
N1	C13	H11	H12	120.0°	120.0°
C9	C10	C	H8	118.8°	118.7°
C9	C10	C	H9	118.7°	118.7°
C10	C9	C8	H18	116.3°	118.1°
C9	C10	C	O	155.2°	163.8°
C9	C10	C	N	22.9°	16.3°
C10	C9	C8	N	33.2°	25.4°
C10	C9	C8	H6	85.4°	93.6°
C10	C9	C8	H7	151.9°	144.5°
C9	C10	H8	H9	123.6°	122.6°
C	C10	C9	C8	34.4°	24.8°
C10	C	O	N	177.8°	180.0°
C10	C	N	C8	1.8°	0.4°
C10	C	N	C1	176.4°	179.5°
C	C10	H8	H9	123.6°	122.6°
C	C10	C9	H18	81.8°	142.9°
O3	N1	C13	H10	47.1°	90.0°
O3	N1	C13	H11	73.0°	150.0°
O3	N1	C13	H12	167.0°	29.9°
N1	O3	C12	H13	180.0°	56.7°
N1	O3	C12	H14	60.0°	63.4°
N1	O3	C12	H15	60.0°	176.7°
C9	C8	N	C	19.8°	17.0°
C9	C8	N	H6	118.6°	119.0°
C9	C8	N	H7	118.7°	119.1°
C9	C8	N	C1	161.9°	162.9°
C9	C8	H6	H7	123.9°	122.0°
C8	C9	C10	H8	153.2°	143.5°
C8	C9	C10	H9	84.3°	93.9°
O	C	N	C8	176.3°	179.6°
O	C	N	C1	5.4°	0.5°
O	C	C10	H8	36.5°	45.1°
O	C	C10	H9	86.0°	77.5°
C	N	C8	C1	178.3°	179.9°
C	N	C1	C2	17.0°	174.5°
C	N	C1	C7	161.2°	5.4°
C	N	C8	H6	98.8°	102.0°
C	N	C8	H7	138.4°	136.1°
N	C	C10	H8	141.7°	134.9°
N	C	C10	H9	95.9°	102.4°
C8	N	C1	C2	164.9°	5.6°
C8	N	C1	C7	16.9°	174.5°
N	C8	H6	H7	123.9°	121.9°
N	C8	C9	H18	83.1°	143.5°
N	C1	C2	C7	178.1°	179.9°
N	C1	C2	C3	177.2°	179.7°
N	C1	C7	C6	177.2°	180.0°
N	C1	C7	H5	2.8°	0.1°
C1	N	C8	H6	79.5°	78.1°
C1	N	C8	H7	43.2°	43.8°
N	C1	C2	H16	2.8°	0.1°
O3	C12	H13	H14	120.0°	120.0°
O3	C12	H13	H15	120.0°	120.0°
O3	C12	H14	H15	120.0°	120.0°
C1	C2	C3	H16	180.0°	179.8°
C2	C1	C7	C6	0.9°	0.1°
C1	C2	C3	C4	0.1°	0.4°
C2	C1	C7	H5	179.1°	180.0°
C1	C2	C3	H17	179.9°	180.0°
C7	C1	C2	C3	1.0°	0.2°
C1	C7	C6	H5	180.0°	179.9°
C1	C7	C6	C4	0.0°	0.1°
C1	C7	C6	H4	180.0°	180.0°
C7	C1	C2	H16	179.0°	180.0°
C2	C3	C4	H17	180.0°	179.6°
C2	C3	C4	C6	0.8°	0.4°
C2	C3	C4	O1	177.8°	179.8°
C7	C6	C4	C3	0.9°	0.2°
C7	C6	C4	H4	180.0°	180.0°
C7	C6	C4	O1	177.7°	180.0°
C3	C4	C6	O1	178.6°	179.8°
C3	C4	O1	C5	53.9°	0.2°
C3	C4	C6	H4	179.1°	179.8°
C4	C3	C2	H16	179.9°	179.7°
C6	C4	O1	C5	124.7°	180.0°
C4	C6	C7	H5	180.0°	180.0°
C6	C4	C3	H17	179.2°	180.0°
C4	O1	C5	H1	180.0°	60.1°
C4	O1	C5	H2	60.0°	60.0°
C4	O1	C5	H3	60.0°	180.0°
O1	C4	C6	H4	2.3°	0.0°
O1	C4	C3	H17	2.2°	0.2°
O1	C5	H1	H2	120.0°	120.0°
O1	C5	H1	H3	120.0°	119.9°
O1	C5	H2	H3	120.0°	120.0°
H1	C5	H2	H3	120.0°	120.1°
H4	C6	C7	H5	0.0°	0.1°
H6	C8	C9	H18	158.2°	24.5°
H7	C8	C9	H18	35.5°	97.4°
H8	C10	C9	H18	37.0°	98.4°
H9	C10	C9	H18	159.5°	24.3°
H10	C13	H11	H12	119.9°	120.0°
H13	C12	H14	H15	120.0°	120.0°
H16	C2	C3	H17	0.1°	0.2°

Release date:	2020-07-22
Definition date:	2020-03-11
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	5R92