0H1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	S22	sing	1.76Å	1.69Å	Aromatic
C21	C20	doub	1.33Å	1.40Å	Aromatic
S22	C18	sing	1.76Å	1.69Å	Aromatic
C20	C19	sing	1.38Å	1.43Å	Aromatic
C18	C19	doub	1.33Å	1.41Å	Aromatic
C18	S15	sing	1.76Å	1.82Å
O17	S15	doub	1.42Å	1.65Å
S15	N14	sing	1.66Å	1.72Å
S15	O16	doub	1.42Å	1.65Å
N14	C12	sing	1.35Å	1.46Å
C12	C11	sing	1.51Å	1.54Å
C12	O13	doub	1.21Å	1.19Å
C11	C10	sing	1.53Å	1.53Å
C10	C9	sing	1.51Å	1.54Å
C2	C1	sing	1.53Å	1.53Å
C2	C3	sing	1.51Å	1.53Å
C24	C3	doub	1.37Å	1.39Å	Aromatic
C24	C23	sing	1.40Å	1.40Å	Aromatic
C9	C23	sing	1.42Å	1.42Å	Aromatic
C9	C8	doub	1.36Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C23	C6	doub	1.41Å	1.38Å	Aromatic
O26	C25	doub	1.22Å	1.26Å
C8	C25	sing	1.47Å	1.52Å
C8	N7	sing	1.38Å	1.31Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C25	O27	sing	1.35Å	1.26Å
C6	N7	sing	1.37Å	1.33Å	Aromatic
C6	C5	sing	1.39Å	1.41Å	Aromatic
C5	N28	sing	1.48Å	1.46Å
N28	O29	sing	1.22Å	1.40Å
N28	O30	doub	1.22Å	1.41Å
C4	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C20	H4	sing	1.08Å	1.08Å
C21	H5	sing	1.08Å	1.08Å
C24	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
N14	H15	sing	0.97Å	1.00Å
N7	H16	sing	0.97Å	1.00Å
O27	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S22	C21	C20	105.1°	109.6°
C21	S22	C18	100.6°	91.0°
S22	C21	H5	127.5°	125.2°
C21	C20	C19	114.7°	114.9°
C21	C20	H4	122.7°	122.6°
C20	C21	H5	127.4°	125.2°
S22	C18	C19	105.1°	109.6°
S22	C18	S15	127.9°	125.2°
C20	C19	C18	114.5°	114.9°
C19	C20	H4	122.6°	122.5°
C20	C19	H12	122.8°	122.5°
C19	C18	S15	127.0°	125.2°
C18	C19	H12	122.7°	122.6°
C18	S15	O17	108.6°	106.4°
C18	S15	N14	111.8°	107.2°
C18	S15	O16	108.9°	106.4°
O17	S15	N14	109.1°	106.4°
O17	S15	O16	108.8°	123.2°
N14	S15	O16	109.6°	106.4°
S15	N14	C12	120.5°	120.0°
S15	N14	H15	119.8°	120.0°
N14	C12	C11	121.9°	119.9°
N14	C12	O13	118.9°	120.1°
C12	N14	H15	119.8°	120.1°
C11	C12	O13	119.2°	120.0°
C12	C11	C10	116.7°	109.4°
C12	C11	H10	107.6°	109.5°
C12	C11	H11	107.6°	109.5°
C11	C10	C9	118.9°	109.4°
C11	C10	H2	107.1°	109.4°
C11	C10	H3	107.1°	109.5°
C10	C11	H10	107.6°	109.4°
C10	C11	H11	107.6°	109.5°
C10	C9	C23	130.6°	126.1°
C10	C9	C8	124.3°	126.1°
C9	C10	H2	107.0°	109.5°
C9	C10	H3	107.1°	109.5°
C1	C2	C3	112.0°	109.5°
C2	C1	H7	109.5°	109.4°
C2	C1	H8	109.4°	109.5°
C2	C1	H9	109.5°	109.5°
C1	C2	H13	108.8°	109.5°
C1	C2	H14	108.9°	109.5°
C2	C3	C24	120.1°	119.7°
C2	C3	C4	119.7°	119.7°
C3	C2	H13	108.8°	109.4°
C3	C2	H14	108.8°	109.5°
C3	C24	C23	120.7°	119.8°
C24	C3	C4	120.2°	120.6°
C3	C24	H6	119.6°	120.0°
C24	C23	C9	135.1°	133.4°
C24	C23	C6	118.4°	119.7°
C23	C24	H6	119.7°	120.1°
C23	C9	C8	105.0°	107.8°
C9	C23	C6	106.4°	106.9°
C9	C8	C25	126.8°	125.5°
C9	C8	N7	109.5°	109.1°
C3	C4	C5	119.9°	120.7°
C3	C4	H1	120.1°	119.7°
C23	C6	N7	108.6°	107.4°
C23	C6	C5	121.0°	119.4°
O26	C25	C8	119.7°	120.0°
O26	C25	O27	120.3°	120.0°
C25	C8	N7	123.6°	125.4°
C8	C25	O27	119.9°	120.0°
C8	N7	C6	110.4°	108.8°
C8	N7	H16	124.8°	125.6°
C4	C5	C6	119.8°	119.8°
C4	C5	N28	119.1°	120.1°
C5	C4	H1	120.1°	119.7°
C25	O27	H17	109.5°	117.0°
N7	C6	C5	130.5°	133.2°
C6	N7	H16	124.8°	125.6°
C6	C5	N28	121.2°	120.1°
C5	N28	O29	119.7°	120.0°
C5	N28	O30	121.0°	120.0°
O29	N28	O30	119.3°	120.0°
H2	C10	H3	109.4°	109.5°
H7	C1	H8	109.5°	109.5°
H7	C1	H9	109.4°	109.5°
H8	C1	H9	109.5°	109.5°
H10	C11	H11	109.5°	109.5°
H13	C2	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S22	C21	C20	H5	180.0°	180.0°
S22	C21	C20	C19	0.0°	0.0°
C21	S22	C18	C19	0.3°	0.3°
C21	S22	C18	S15	179.6°	180.0°
S22	C21	C20	H4	179.9°	179.7°
C20	C21	S22	C18	0.2°	0.2°
C21	C20	C19	H4	180.0°	179.8°
C21	C20	C19	C18	0.3°	0.2°
C21	C20	C19	H12	179.7°	179.7°
S22	C18	C19	C20	0.4°	0.3°
S22	C18	C19	S15	179.3°	179.7°
S22	C18	S15	O17	78.9°	156.1°
S22	C18	S15	N14	41.6°	90.4°
S22	C18	S15	O16	162.8°	23.1°
C18	S22	C21	H5	179.8°	179.8°
S22	C18	C19	H12	179.6°	179.6°
C20	C19	C18	H12	180.0°	179.9°
C20	C19	C18	S15	179.7°	180.0°
C19	C20	C21	H5	180.0°	180.0°
C19	C18	S15	O17	100.3°	23.5°
C19	C18	S15	N14	139.3°	90.0°
C19	C18	S15	O16	18.0°	156.5°
C18	C19	C20	H4	179.7°	180.0°
C18	S15	O17	N14	122.1°	114.1°
C18	S15	O17	O16	118.4°	123.0°
C18	S15	N14	O16	120.9°	113.5°
C18	S15	N14	C12	153.3°	65.0°
S15	C18	C19	H12	0.3°	0.1°
C18	S15	N14	H15	26.7°	115.0°
O17	S15	N14	O16	119.0°	132.9°
O17	S15	N14	C12	33.2°	178.5°
O17	S15	N14	H15	146.8°	1.5°
S15	N14	C12	H15	180.0°	180.0°
S15	N14	C12	C11	179.4°	180.0°
S15	N14	C12	O13	0.9°	0.0°
O16	S15	N14	C12	85.8°	48.5°
O16	S15	N14	H15	94.2°	131.5°
N14	C12	C11	O13	178.4°	180.0°
N14	C12	C11	C10	82.7°	180.0°
N14	C12	C11	H10	156.2°	60.1°
N14	C12	C11	H11	38.3°	60.0°
C12	C11	C10	H10	121.0°	120.0°
C12	C11	C10	H11	121.0°	120.0°
C12	C11	C10	C9	100.1°	180.0°
C12	C11	C10	H2	138.5°	60.0°
C12	C11	C10	H3	21.3°	60.0°
C12	C11	H10	H11	116.7°	120.0°
C11	C12	N14	H15	0.6°	0.0°
O13	C12	C11	C10	98.8°	0.0°
O13	C12	C11	H10	22.2°	120.0°
O13	C12	C11	H11	140.1°	120.0°
O13	C12	N14	H15	179.0°	180.0°
C11	C10	C9	H2	121.4°	119.9°
C11	C10	C9	H3	121.4°	120.0°
C11	C10	C9	C23	5.0°	90.0°
C11	C10	C9	C8	175.7°	90.1°
C11	C10	H2	H3	115.7°	120.0°
C10	C11	H10	H11	116.7°	120.0°
C10	C9	C23	C24	0.5°	0.0°
C10	C9	C23	C8	179.5°	180.0°
C10	C9	C23	C6	179.5°	179.8°
C10	C9	C8	C25	0.7°	0.1°
C10	C9	C8	N7	179.6°	179.8°
C9	C10	H2	H3	115.7°	120.1°
C9	C10	C11	H10	20.9°	60.0°
C9	C10	C11	H11	138.8°	60.0°
C1	C2	C3	H13	120.4°	120.0°
C1	C2	C3	H14	120.4°	120.0°
C1	C2	C3	C24	146.6°	90.0°
C1	C2	C3	C4	33.2°	90.5°
C2	C1	H7	H8	120.0°	120.0°
C2	C1	H7	H9	120.0°	120.0°
C2	C1	H8	H9	120.0°	120.0°
C1	C2	H13	H14	118.9°	120.0°
C2	C3	C24	C4	179.7°	179.5°
C2	C3	C24	C23	179.9°	180.0°
C2	C3	C4	C5	179.9°	180.0°
C2	C3	C4	H1	0.1°	0.2°
C2	C3	C24	H6	0.1°	0.1°
C3	C2	C1	H7	180.0°	180.0°
C3	C2	C1	H8	60.0°	60.0°
C3	C2	C1	H9	60.0°	60.0°
C3	C2	H13	H14	118.8°	120.0°
C3	C24	C23	H6	180.0°	179.9°
C3	C24	C23	C9	180.0°	180.0°
C3	C24	C23	C6	0.1°	0.2°
C24	C3	C4	C5	0.1°	0.5°
C24	C3	C4	H1	179.9°	179.8°
C24	C3	C2	H13	26.2°	30.0°
C24	C3	C2	H14	93.0°	150.0°
C24	C23	C9	C6	180.0°	179.8°
C24	C23	C9	C8	180.0°	179.9°
C23	C24	C3	C4	0.1°	0.5°
C24	C23	C6	N7	180.0°	180.0°
C24	C23	C6	C5	0.0°	0.1°
C23	C9	C8	C25	179.8°	179.9°
C23	C9	C8	N7	0.1°	0.2°
C9	C23	C6	N7	0.1°	0.1°
C9	C23	C6	C5	179.9°	179.8°
C23	C9	C10	H2	126.3°	30.0°
C23	C9	C10	H3	116.4°	150.0°
C9	C23	C24	H6	0.0°	0.1°
C8	C9	C23	C6	0.1°	0.2°
C9	C8	C25	O26	56.9°	0.1°
C9	C8	C25	N7	179.7°	179.9°
C9	C8	C25	O27	124.1°	179.9°
C9	C8	N7	C6	0.1°	0.1°
C8	C9	C10	H2	54.3°	150.0°
C8	C9	C10	H3	63.0°	29.9°
C9	C8	N7	H16	179.9°	179.8°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	C6	0.0°	0.2°
C3	C4	C5	N28	179.6°	179.7°
C4	C3	C24	H6	179.8°	179.5°
C4	C3	C2	H13	153.5°	149.5°
C4	C3	C2	H14	87.3°	29.5°
C23	C6	N7	C8	0.0°	0.0°
C23	C6	C5	C4	0.1°	0.0°
C23	C6	N7	C5	180.0°	179.9°
C23	C6	C5	N28	179.7°	180.0°
C6	C23	C24	H6	179.9°	179.8°
C23	C6	N7	H16	180.0°	180.0°
O26	C25	C8	O27	179.1°	179.9°
O26	C25	C8	N7	122.8°	180.0°
O26	C25	O27	H17	0.0°	0.0°
C25	C8	N7	C6	179.8°	180.0°
C25	C8	N7	H16	0.2°	0.0°
C8	C25	O27	H17	179.1°	179.9°
N7	C8	C25	O27	56.2°	0.0°
C8	N7	C6	H16	180.0°	180.0°
C8	N7	C6	C5	180.0°	179.9°
C4	C5	C6	N7	180.0°	180.0°
C4	C5	C6	N28	179.7°	180.0°
C4	C5	N28	O29	11.7°	0.0°
C4	C5	N28	O30	167.4°	180.0°
N7	C6	C5	N28	0.3°	0.1°
C6	C5	N28	O29	168.6°	180.0°
C6	C5	N28	O30	12.3°	0.1°
C6	C5	C4	H1	180.0°	180.0°
C5	C6	N7	H16	0.0°	0.1°
C5	N28	O29	O30	179.2°	179.9°
N28	C5	C4	H1	0.4°	0.0°
H2	C10	C11	H10	100.4°	60.0°
H2	C10	C11	H11	17.5°	180.0°
H3	C10	C11	H10	142.3°	180.0°
H3	C10	C11	H11	99.8°	60.0°
H4	C20	C21	H5	0.1°	0.3°
H4	C20	C19	H12	0.4°	0.0°
H7	C1	H8	H9	120.0°	120.0°
H7	C1	C2	H13	59.6°	60.0°
H7	C1	C2	H14	59.6°	60.0°
H8	C1	C2	H13	60.4°	59.9°
H8	C1	C2	H14	179.6°	180.0°
H9	C1	C2	H13	179.6°	180.0°
H9	C1	C2	H14	60.4°	60.0°

Release date:	2022-06-01
Definition date:	2021-06-09
Last modified:	2022-05-27
Release status:	REL
Processing site:	PDBJ
Derived from:	7EZR