8IE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C09	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.40Å	Aromatic
C09	C08	sing	1.38Å	1.38Å	Aromatic
C11	C06	doub	1.39Å	1.39Å	Aromatic
C08	C07	doub	1.39Å	1.41Å	Aromatic
C06	C07	sing	1.38Å	1.41Å	Aromatic
C06	C05	sing	1.51Å	1.55Å
C07	C02	sing	1.51Å	1.50Å
C05	N04	sing	1.47Å	1.50Å
C01	C02	sing	1.53Å	1.55Å
C02	C03	sing	1.53Å	1.53Å
C03	N04	sing	1.47Å	1.49Å
N04	C12	sing	1.38Å	1.41Å
N13	C12	doub	1.30Å	1.27Å	Aromatic
N13	C14	sing	1.37Å	1.39Å	Aromatic
C12	N24	sing	1.37Å	1.41Å	Aromatic
C18	C14	sing	1.40Å	1.44Å	Aromatic
C18	C17	doub	1.33Å	1.32Å	Aromatic
C14	C15	doub	1.39Å	1.33Å	Aromatic
N24	C22	sing	1.36Å	1.41Å	Aromatic
N24	C19	sing	1.37Å	1.41Å	Aromatic
C23	C22	sing	1.51Å	1.48Å
C17	S16	sing	1.76Å	1.79Å	Aromatic
C15	C19	sing	1.42Å	1.40Å	Aromatic
C15	S16	sing	1.76Å	1.77Å	Aromatic
C22	N21	doub	1.31Å	1.29Å	Aromatic
C19	N20	doub	1.32Å	1.29Å	Aromatic
N21	N20	sing	1.29Å	1.41Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C02	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.09Å	1.10Å
C03	H8	sing	1.09Å	1.10Å
C05	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.08Å	1.08Å
C09	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.08Å	1.08Å
C18	H14	sing	1.08Å	1.08Å
C23	H15	sing	1.09Å	1.10Å
C23	H16	sing	1.09Å	1.10Å
C23	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C10	C11	122.7°	119.7°
C10	C09	C08	116.1°	119.9°
C09	C10	H1	118.7°	120.1°
C10	C09	H12	121.9°	120.1°
C10	C11	C06	122.0°	120.5°
C11	C10	H1	118.7°	120.2°
C10	C11	H13	119.0°	119.7°
C09	C08	C07	121.4°	120.6°
C09	C08	H11	119.3°	119.7°
C08	C09	H12	122.0°	120.0°
C11	C06	C07	114.9°	119.8°
C11	C06	C05	120.3°	117.8°
C06	C11	H13	119.0°	119.7°
C08	C07	C06	122.9°	119.6°
C08	C07	C02	118.2°	117.6°
C07	C08	H11	119.3°	119.7°
C07	C06	C05	124.8°	122.4°
C06	C07	C02	118.9°	122.8°
C06	C05	N04	112.1°	109.7°
C06	C05	H9	108.8°	109.5°
C06	C05	H10	108.8°	109.4°
C07	C02	C01	113.5°	109.2°
C07	C02	C03	107.7°	110.9°
C07	C02	H6	107.3°	109.2°
C05	N04	C03	114.1°	117.3°
C05	N04	C12	133.7°	121.4°
N04	C05	H9	108.8°	109.5°
N04	C05	H10	108.8°	109.4°
C01	C02	C03	114.3°	109.2°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.5°
C02	C01	H5	109.5°	109.5°
C01	C02	H6	106.8°	109.2°
C02	C03	N04	113.0°	107.9°
C03	C02	H6	106.9°	109.2°
C02	C03	H7	108.6°	109.8°
C02	C03	H8	108.6°	109.8°
C03	N04	C12	111.8°	121.4°
N04	C03	H7	108.6°	109.7°
N04	C03	H8	108.6°	109.8°
N04	C12	N13	118.6°	119.2°
N04	C12	N24	122.9°	119.2°
C12	N13	C14	122.5°	122.2°
N13	C12	N24	117.8°	121.6°
N13	C14	C18	125.4°	128.7°
N13	C14	C15	122.3°	118.7°
C12	N24	C22	136.6°	134.6°
C12	N24	C19	121.8°	119.7°
C14	C18	C17	114.8°	115.8°
C18	C14	C15	112.3°	112.6°
C14	C18	H14	122.6°	122.1°
C18	C17	S16	111.1°	110.5°
C18	C17	H2	124.4°	124.7°
C17	C18	H14	122.6°	122.1°
C14	C15	C19	118.9°	119.0°
C14	C15	S16	112.7°	109.7°
C22	N24	C19	101.5°	105.7°
N24	C22	C23	128.5°	126.3°
N24	C22	N21	110.7°	107.4°
N24	C19	C15	116.6°	118.8°
N24	C19	N20	113.0°	107.0°
C23	C22	N21	120.8°	126.3°
C22	C23	H15	109.5°	109.5°
C22	C23	H16	109.5°	109.5°
C22	C23	H17	109.4°	109.5°
C17	S16	C15	89.1°	91.4°
S16	C17	H2	124.4°	124.8°
C19	C15	S16	128.4°	131.4°
C15	C19	N20	130.4°	134.2°
C22	N21	N20	109.1°	110.3°
C19	N20	N21	105.6°	109.5°
H3	C01	H4	109.4°	109.4°
H3	C01	H5	109.5°	109.4°
H4	C01	H5	109.4°	109.5°
H7	C03	H8	109.5°	109.8°
H9	C05	H10	109.5°	109.4°
H15	C23	H16	109.5°	109.5°
H15	C23	H17	109.5°	109.4°
H16	C23	H17	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C10	C11	H1	180.0°	179.7°
C10	C09	C08	H12	180.0°	180.0°
C09	C10	C11	C06	0.5°	0.0°
C10	C09	C08	C07	0.1°	0.1°
C10	C09	C08	H11	179.9°	180.0°
C09	C10	C11	H13	179.5°	179.9°
C11	C10	C09	C08	0.2°	0.2°
C10	C11	C06	H13	180.0°	180.0°
C10	C11	C06	C07	0.4°	0.3°
C10	C11	C06	C05	179.0°	179.5°
C11	C10	C09	H12	179.8°	179.8°
C09	C08	C07	H11	180.0°	179.9°
C09	C08	C07	C06	0.2°	0.3°
C09	C08	C07	C02	179.1°	179.4°
C08	C09	C10	H1	179.7°	179.9°
C11	C06	C07	C08	0.0°	0.5°
C11	C06	C07	C05	179.3°	179.8°
C11	C06	C07	C02	179.3°	179.2°
C11	C06	C05	N04	175.7°	168.9°
C06	C11	C10	H1	179.5°	179.7°
C11	C06	C05	H9	55.4°	70.9°
C11	C06	C05	H10	63.9°	48.9°
C08	C07	C06	C02	179.2°	179.7°
C08	C07	C06	C05	179.3°	179.3°
C08	C07	C02	C01	22.2°	40.1°
C08	C07	C02	C03	149.7°	160.5°
C08	C07	C02	H6	95.5°	79.2°
C07	C08	C09	H12	179.9°	180.0°
C07	C06	C05	N04	5.0°	11.3°
C06	C07	C02	C01	158.5°	140.2°
C06	C07	C02	C03	31.0°	19.8°
C06	C07	C02	H6	83.8°	100.5°
C07	C06	C05	H9	125.4°	108.9°
C07	C06	C05	H10	115.4°	131.3°
C06	C07	C08	H11	179.8°	179.6°
C07	C06	C11	H13	179.6°	179.7°
C05	C06	C07	C02	0.0°	1.0°
C06	C05	N04	H9	120.4°	120.1°
C06	C05	N04	H10	120.4°	120.0°
C06	C05	N04	C03	23.5°	44.4°
C06	C05	N04	C12	165.3°	135.6°
C06	C05	H9	H10	118.8°	119.8°
C05	C06	C11	H13	1.0°	0.5°
C07	C02	C01	C03	124.0°	121.4°
C07	C02	C01	H6	118.0°	119.3°
C07	C02	C03	H6	115.0°	120.3°
C07	C02	C03	N04	60.4°	47.4°
C07	C02	C01	H3	180.0°	178.6°
C07	C02	C01	H4	60.0°	58.6°
C07	C02	C01	H5	60.0°	61.4°
C07	C02	C03	H7	179.0°	167.0°
C07	C02	C03	H8	60.1°	72.1°
C02	C07	C08	H11	0.9°	0.7°
C05	N04	C03	C02	58.3°	64.3°
C05	N04	C03	C12	173.2°	180.0°
C05	N04	C12	N13	76.8°	87.4°
C05	N04	C12	N24	113.4°	92.8°
C05	N04	C03	H7	178.8°	176.0°
C05	N04	C03	H8	62.2°	55.3°
N04	C05	H9	H10	118.8°	119.9°
C01	C02	C03	H6	117.9°	119.3°
C01	C02	C03	N04	172.5°	167.8°
C02	C01	H3	H4	120.0°	120.1°
C02	C01	H3	H5	120.0°	120.0°
C02	C01	H4	H5	120.0°	120.0°
C01	C02	C03	H7	51.9°	72.6°
C01	C02	C03	H8	67.0°	48.2°
C02	C03	N04	H7	120.6°	119.6°
C02	C03	N04	H8	120.5°	119.6°
C02	C03	N04	C12	128.6°	115.7°
C03	C02	C01	H3	56.0°	60.0°
C03	C02	C01	H4	176.0°	180.0°
C03	C02	C01	H5	64.1°	60.0°
C02	C03	H7	H8	118.4°	120.8°
C03	N04	C12	N13	94.6°	92.6°
C03	N04	C12	N24	75.3°	87.2°
N04	C03	C02	H6	54.6°	72.9°
N04	C03	H7	H8	118.4°	120.8°
C03	N04	C05	H9	96.9°	75.7°
C03	N04	C05	H10	143.9°	164.4°
N04	C12	N13	N24	170.4°	179.8°
N04	C12	N13	C14	174.8°	179.4°
N04	C12	N24	C22	9.0°	0.0°
N04	C12	N24	C19	173.9°	179.1°
C12	N04	C03	H7	8.0°	3.9°
C12	N04	C03	H8	110.9°	124.7°
C12	N04	C05	H9	74.3°	104.3°
C12	N04	C05	H10	44.9°	15.6°
C12	N13	C14	C18	176.8°	179.9°
C12	N13	C14	C15	2.8°	0.0°
N13	C12	N24	C22	178.9°	179.8°
N13	C12	N24	C19	4.0°	0.7°
C14	N13	C12	N24	4.4°	0.4°
N13	C14	C18	C15	179.6°	180.0°
N13	C14	C18	C17	179.8°	180.0°
N13	C14	C15	C19	0.5°	0.0°
N13	C14	C15	S16	180.0°	179.8°
N13	C14	C18	H14	0.2°	0.0°
C12	N24	C22	C19	177.5°	179.2°
C12	N24	C22	C23	2.2°	0.7°
C12	N24	C19	C15	1.8°	0.6°
C12	N24	C22	N21	177.4°	179.2°
C12	N24	C19	N20	178.3°	179.4°
C14	C18	C17	H14	180.0°	179.9°
C14	C18	C17	S16	0.1°	0.3°
C18	C14	C15	C19	179.2°	180.0°
C18	C14	C15	S16	0.4°	0.2°
C14	C18	C17	H2	179.9°	180.0°
C17	C18	C14	C15	0.2°	0.1°
C18	C17	S16	H2	180.0°	179.7°
C18	C17	S16	C15	0.2°	0.3°
C14	C15	C19	N24	0.1°	0.3°
C14	C15	S16	C17	0.4°	0.3°
C14	C15	C19	S16	179.5°	179.7°
C14	C15	C19	N20	179.9°	179.7°
C15	C14	C18	H14	179.8°	180.0°
N24	C22	C23	N21	179.6°	180.0°
C22	N24	C19	C15	179.8°	180.0°
C22	N24	C19	N20	0.3°	0.0°
N24	C22	N21	N20	0.5°	0.0°
N24	C22	C23	H15	179.6°	84.3°
N24	C22	C23	H16	59.5°	35.8°
N24	C22	C23	H17	60.4°	155.8°
C19	N24	C22	C23	179.7°	180.0°
N24	C19	C15	N20	179.8°	180.0°
N24	C19	C15	S16	179.6°	180.0°
C19	N24	C22	N21	0.1°	0.0°
N24	C19	N20	N21	0.6°	0.0°
C23	C22	N21	N20	179.9°	180.0°
C22	C23	H15	H16	120.0°	120.0°
C22	C23	H15	H17	120.0°	120.0°
C22	C23	H16	H17	120.0°	120.0°
C17	S16	C15	C19	179.1°	180.0°
S16	C17	C18	H14	179.9°	179.8°
C15	C19	N20	N21	179.6°	180.0°
S16	C15	C19	N20	0.6°	0.0°
C15	S16	C17	H2	179.8°	180.0°
C22	N21	N20	C19	0.7°	0.0°
N21	C22	C23	H15	0.0°	95.7°
N21	C22	C23	H16	120.0°	144.3°
N21	C22	C23	H17	120.0°	24.3°
H1	C10	C09	H12	0.3°	0.1°
H1	C10	C11	H13	0.5°	0.2°
H2	C17	C18	H14	0.0°	0.1°
H3	C01	H4	H5	120.0°	119.9°
H3	C01	C02	H6	62.0°	59.3°
H4	C01	C02	H6	58.0°	60.7°
H5	C01	C02	H6	178.0°	179.3°
H6	C02	C03	H7	66.0°	46.7°
H6	C02	C03	H8	175.1°	167.5°
H11	C08	C09	H12	0.1°	0.1°
H15	C23	H16	H17	120.0°	120.0°

Release date:	2021-09-29
Definition date:	2021-09-20
Last modified:	2021-09-24
Release status:	REL
Processing site:	RCSB
Derived from:	7S87