DO0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	doub	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.41Å	Aromatic
O3	C11	sing	1.36Å	1.37Å
C11	C12	sing	1.39Å	1.47Å	Aromatic
C9	C8	doub	1.39Å	1.41Å	Aromatic
C8	C7	sing	1.39Å	1.39Å	Aromatic
C12	C7	doub	1.41Å	1.48Å	Aromatic
C12	C13	sing	1.47Å	1.48Å
C7	C	sing	1.48Å	1.49Å
O4	C13	doub	1.21Å	1.28Å
C13	N	sing	1.34Å	1.35Å
C	N	sing	1.35Å	1.35Å
C	O	doub	1.21Å	1.27Å
C6	C1	sing	1.53Å	1.52Å
C6	C5	sing	1.53Å	1.52Å
N	C1	sing	1.46Å	1.49Å
C1	C2	sing	1.53Å	1.52Å
C1	C3	sing	1.51Å	1.56Å
C5	C4	sing	1.51Å	1.50Å
C4	O1	doub	1.21Å	1.22Å
C4	N1	sing	1.34Å	1.33Å
C3	N1	sing	1.34Å	1.34Å
C3	O2	doub	1.21Å	1.23Å
C9	H1	sing	1.08Å	1.08Å
N1	H2	sing	0.97Å	1.00Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.08Å	1.08Å
O3	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	122.0°	120.4°
C10	C11	O3	123.2°	120.2°
C10	C11	C12	117.1°	119.6°
C11	C10	H6	119.0°	119.8°
C10	C9	C8	123.0°	120.6°
C10	C9	H1	118.5°	119.7°
C9	C10	H6	119.0°	119.8°
O3	C11	C12	119.7°	120.2°
C11	O3	H12	109.5°	114.0°
C11	C12	C7	119.0°	119.8°
C11	C12	C13	137.2°	134.4°
C9	C8	C7	117.5°	119.9°
C8	C9	H1	118.5°	119.7°
C9	C8	H11	121.2°	120.1°
C8	C7	C12	121.4°	119.8°
C8	C7	C	134.7°	134.3°
C7	C8	H11	121.2°	120.0°
C7	C12	C13	103.9°	105.9°
C12	C7	C	103.8°	105.9°
C12	C13	O4	121.5°	125.7°
C12	C13	N	112.1°	108.7°
C7	C	N	111.5°	108.5°
C7	C	O	122.1°	125.8°
O4	C13	N	126.3°	125.7°
C13	N	C	108.5°	111.1°
C13	N	C1	120.6°	124.4°
N	C	O	126.3°	125.8°
C	N	C1	130.3°	124.5°
C1	C6	C5	113.4°	108.5°
C6	C1	N	113.0°	109.6°
C6	C1	C2	124.9°	109.6°
C6	C1	C3	96.1°	109.1°
C1	C6	H7	108.5°	109.6°
C1	C6	H8	108.5°	109.6°
C6	C5	C4	101.7°	109.2°
C5	C6	H7	108.5°	109.6°
C5	C6	H8	108.5°	109.8°
C6	C5	H9	111.4°	109.6°
C6	C5	H10	111.4°	109.5°
N	C1	C2	121.7°	109.5°
N	C1	C3	97.0°	109.6°
C2	C1	C3	83.6°	109.5°
C1	C2	H3	109.5°	109.5°
C1	C2	H4	109.5°	109.5°
C1	C2	H5	109.5°	109.5°
C1	C3	N1	123.7°	121.3°
C1	C3	O2	121.2°	119.4°
C5	C4	O1	121.3°	119.4°
C5	C4	N1	114.7°	121.3°
C4	C5	H9	111.4°	109.4°
C4	C5	H10	111.4°	109.6°
O1	C4	N1	124.0°	119.3°
C4	N1	C3	125.7°	122.6°
C4	N1	H2	117.2°	118.7°
N1	C3	O2	115.0°	119.4°
C3	N1	H2	117.2°	118.7°
H3	C2	H4	109.5°	109.5°
H3	C2	H5	109.5°	109.5°
H4	C2	H5	109.5°	109.4°
H7	C6	H8	109.4°	109.7°
H9	C5	H10	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H6	180.0°	179.5°
C10	C11	O3	C12	179.9°	179.6°
C11	C10	C9	C8	0.8°	0.4°
C10	C11	C12	C7	0.2°	0.1°
C10	C11	C12	C13	179.8°	179.9°
C11	C10	C9	H1	179.1°	179.6°
C10	C11	O3	H12	180.0°	90.0°
C9	C10	C11	O3	179.5°	180.0°
C9	C10	C11	C12	0.4°	0.4°
C10	C9	C8	H1	180.0°	179.9°
C10	C9	C8	C7	0.6°	0.0°
C10	C9	C8	H11	179.4°	179.9°
O3	C11	C12	C7	179.9°	179.7°
O3	C11	C12	C13	0.1°	0.3°
O3	C11	C10	H6	0.5°	0.5°
C11	C12	C7	C8	0.4°	0.2°
C11	C12	C7	C13	180.0°	180.0°
C11	C12	C7	C	179.7°	180.0°
C11	C12	C13	O4	0.5°	0.0°
C11	C12	C13	N	177.6°	180.0°
C12	C11	C10	H6	179.6°	180.0°
C12	C11	O3	H12	0.1°	90.4°
C9	C8	C7	H11	180.0°	179.9°
C9	C8	C7	C12	0.0°	0.3°
C9	C8	C7	C	179.1°	180.0°
C8	C9	C10	H6	179.1°	179.9°
C8	C7	C12	C	179.3°	179.8°
C8	C7	C12	C13	179.6°	179.8°
C8	C7	C	N	177.9°	179.7°
C8	C7	C	O	1.3°	0.3°
C7	C8	C9	H1	179.4°	180.0°
C7	C12	C13	O4	179.5°	180.0°
C7	C12	C13	N	2.4°	0.0°
C12	C7	C	N	2.9°	0.0°
C12	C7	C	O	179.5°	180.0°
C12	C7	C8	H11	180.0°	179.8°
C13	C12	C7	C	0.3°	0.0°
C12	C13	O4	N	176.6°	180.0°
C12	C13	N	C	4.4°	0.0°
C12	C13	N	C1	176.5°	180.0°
C7	C	N	C13	4.5°	0.0°
C7	C	N	O	176.4°	180.0°
C7	C	N	C1	175.7°	180.0°
C	C7	C8	H11	1.0°	0.1°
O4	C13	N	C	178.8°	180.0°
O4	C13	N	C1	6.6°	0.0°
C13	N	C	C1	171.1°	180.0°
C13	N	C	O	179.0°	180.0°
C13	N	C1	C6	115.4°	62.1°
C13	N	C1	C2	58.2°	58.1°
C13	N	C1	C3	144.9°	178.2°
C	N	C1	C6	54.8°	117.9°
C	N	C1	C2	131.6°	121.9°
C	N	C1	C3	44.9°	1.8°
O	C	N	C1	7.9°	0.0°
C1	C6	C5	H7	120.6°	119.6°
C1	C6	C5	H8	120.6°	119.8°
C6	C1	N	C2	173.6°	120.2°
C6	C1	N	C3	99.7°	119.7°
C6	C1	C2	C3	92.9°	119.6°
C1	C6	C5	C4	77.7°	55.7°
C6	C1	C3	N1	15.7°	29.0°
C6	C1	C3	O2	165.3°	150.9°
C6	C1	C2	H3	180.0°	60.0°
C6	C1	C2	H4	60.0°	179.9°
C6	C1	C2	H5	60.0°	60.0°
C1	C6	H7	H8	118.2°	120.4°
C1	C6	C5	H9	163.6°	175.5°
C1	C6	C5	H10	41.0°	64.2°
C5	C6	C1	N	163.0°	64.3°
C5	C6	C1	C2	23.6°	175.6°
C5	C6	C1	C3	62.7°	55.7°
C6	C5	C4	H9	118.8°	119.9°
C6	C5	C4	H10	118.7°	119.9°
C6	C5	C4	O1	141.9°	150.9°
C6	C5	C4	N1	37.0°	29.0°
C5	C6	H7	H8	118.2°	120.7°
C6	C5	H9	H10	123.7°	120.2°
N	C1	C2	C3	94.3°	120.2°
N	C1	C3	N1	129.9°	90.9°
N	C1	C3	O2	51.1°	89.1°
N	C1	C2	H3	7.2°	60.1°
N	C1	C2	H4	127.2°	59.9°
N	C1	C2	H5	112.8°	179.9°
N	C1	C6	H7	42.4°	55.3°
N	C1	C6	H8	76.4°	175.8°
C2	C1	C3	N1	108.8°	148.9°
C2	C1	C3	O2	70.2°	31.0°
C1	C2	H3	H4	120.0°	120.0°
C1	C2	H3	H5	120.0°	120.0°
C1	C2	H4	H5	120.0°	120.0°
C2	C1	C6	H7	144.2°	64.8°
C2	C1	C6	H8	97.0°	55.7°
C1	C3	N1	C4	16.9°	0.3°
C1	C3	N1	O2	179.1°	180.0°
C1	C3	N1	H2	163.1°	179.4°
C3	C1	C2	H3	87.1°	179.6°
C3	C1	C2	H4	32.9°	60.3°
C3	C1	C2	H5	152.9°	59.6°
C3	C1	C6	H7	57.9°	175.4°
C3	C1	C6	H8	176.7°	64.2°
C5	C4	O1	N1	178.8°	180.0°
C5	C4	N1	C3	4.1°	0.2°
C5	C4	N1	H2	175.9°	179.4°
C4	C5	C6	H7	42.9°	175.3°
C4	C5	C6	H8	161.8°	64.0°
C4	C5	H9	H10	123.6°	120.2°
O1	C4	N1	C3	177.0°	179.7°
O1	C4	N1	H2	3.0°	0.6°
O1	C4	C5	H9	23.1°	31.0°
O1	C4	C5	H10	99.4°	89.2°
C4	N1	C3	H2	180.0°	179.7°
C4	N1	C3	O2	162.1°	179.7°
N1	C4	C5	H9	155.7°	148.9°
N1	C4	C5	H10	81.7°	90.9°
O2	C3	N1	H2	17.9°	0.7°
H1	C9	C10	H6	0.9°	0.1°
H1	C9	C8	H11	0.6°	0.1°
H3	C2	H4	H5	120.0°	120.0°
H7	C6	C5	H9	75.8°	64.9°
H7	C6	C5	H10	161.6°	55.4°
H8	C6	C5	H9	43.0°	55.8°
H8	C6	C5	H10	79.5°	176.0°

Release date:	2022-12-14
Definition date:	2021-11-30
Last modified:	2022-12-09
Release status:	REL
Processing site:	RCSB
Derived from:	7SZC