EIO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C08	sing	1.53Å	1.54Å
C15	N14	doub	1.32Å	1.32Å	Aromatic
C15	N18	sing	1.33Å	1.33Å	Aromatic
C15	S16	sing	1.76Å	1.81Å
C17	S16	sing	1.81Å	1.83Å
C20	C03	sing	1.53Å	1.53Å
C20	C19	sing	1.53Å	1.53Å
C03	C04	sing	1.51Å	1.54Å
C03	C19	sing	1.53Å	1.53Å
C03	S02	sing	1.81Å	1.83Å
C04	C05	sing	1.38Å	1.40Å	Aromatic
C04	N18	doub	1.32Å	1.33Å	Aromatic
C05	C06	doub	1.40Å	1.40Å	Aromatic
C06	N07	sing	1.39Å	1.46Å
C06	N14	sing	1.33Å	1.32Å	Aromatic
C08	C09	sing	1.53Å	1.53Å
C08	N07	sing	1.47Å	1.47Å
C09	O10	sing	1.43Å	1.39Å
C11	C12	sing	1.53Å	1.54Å
C11	O10	sing	1.43Å	1.39Å
C12	N07	sing	1.47Å	1.47Å
N01	S02	doub	1.49Å	1.55Å
N21	S02	doub	1.49Å	1.55Å
O22	S02	doub	1.42Å	1.47Å
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C17	H5	sing	1.09Å	1.10Å
C17	H6	sing	1.09Å	1.10Å
C20	H7	sing	1.09Å	1.10Å
C20	H8	sing	1.09Å	1.10Å
C05	H9	sing	1.08Å	1.08Å
C08	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C19	H17	sing	1.09Å	1.10Å
C19	H18	sing	1.09Å	1.10Å
N01	H19	sing	0.97Å	1.00Å
N21	H21	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C08	C09	109.7°	109.5°
C13	C08	N07	109.8°	109.5°
C08	C13	H1	109.5°	109.5°
C08	C13	H2	109.5°	109.4°
C08	C13	H3	109.5°	109.5°
C13	C08	H10	108.3°	109.5°
N14	C15	N18	123.6°	121.6°
N14	C15	S16	116.1°	119.2°
C15	N14	C06	119.4°	120.6°
N18	C15	S16	120.2°	119.2°
C15	N18	C04	119.1°	120.9°
C15	S16	C17	108.2°	100.0°
S16	C17	H4	109.5°	109.5°
S16	C17	H5	109.5°	109.5°
S16	C17	H6	109.5°	109.5°
C03	C20	C19	60.1°	60.0°
C20	C03	C04	121.4°	117.5°
C20	C03	C19	59.9°	60.0°
C20	C03	S02	110.3°	117.5°
C03	C20	H7	120.0°	117.5°
C03	C20	H8	120.0°	117.5°
C20	C19	C03	60.0°	59.9°
C19	C20	H7	120.0°	117.5°
C19	C20	H8	120.0°	117.5°
C20	C19	H17	120.0°	117.5°
C20	C19	H18	120.0°	117.5°
C04	C03	C19	136.4°	117.5°
C04	C03	S02	108.8°	115.6°
C03	C04	C05	119.5°	120.3°
C03	C04	N18	120.0°	120.4°
C19	C03	S02	110.3°	117.5°
C03	C19	H17	120.0°	117.5°
C03	C19	H18	120.0°	117.5°
C03	S02	N01	122.7°	108.4°
C03	S02	N21	122.7°	108.3°
C03	S02	O22	119.3°	114.7°
C05	C04	N18	120.5°	119.3°
C04	C05	C06	116.9°	118.5°
C04	C05	H9	121.5°	120.8°
C05	C06	N07	121.4°	120.5°
C05	C06	N14	120.6°	119.0°
C06	C05	H9	121.6°	120.7°
N07	C06	N14	118.1°	120.5°
C06	N07	C08	120.0°	111.0°
C06	N07	C12	122.0°	111.0°
C09	C08	N07	111.4°	109.3°
C08	C09	O10	110.9°	109.2°
C09	C08	H10	108.4°	109.5°
C08	C09	H11	109.1°	109.5°
C08	C09	H12	109.1°	109.5°
C08	N07	C12	112.0°	110.7°
N07	C08	H10	109.1°	109.5°
C09	O10	C11	113.3°	113.8°
O10	C09	H11	109.1°	109.5°
O10	C09	H12	109.1°	109.5°
C12	C11	O10	110.4°	109.3°
C11	C12	N07	111.0°	109.3°
C12	C11	H13	109.3°	109.5°
C12	C11	H14	109.3°	109.5°
C11	C12	H15	109.1°	109.5°
C11	C12	H16	109.1°	109.6°
O10	C11	H13	109.3°	109.5°
O10	C11	H14	109.3°	109.5°
N07	C12	H15	109.1°	109.5°
N07	C12	H16	109.1°	109.5°
N01	S02	N21	104.9°	108.7°
N01	S02	O22	104.0°	108.3°
S02	N01	H19	112.0°	120.1°
N21	S02	O22	71.2°	108.3°
S02	N21	H21	112.0°	120.0°
H1	C13	H2	109.4°	109.5°
H1	C13	H3	109.5°	109.5°
H2	C13	H3	109.5°	109.5°
H4	C17	H5	109.5°	109.4°
H4	C17	H6	109.5°	109.4°
H5	C17	H6	109.4°	109.5°
H7	C20	H8	109.4°	115.5°
H11	C09	H12	109.5°	109.6°
H13	C11	H14	109.5°	109.6°
H15	C12	H16	109.5°	109.5°
H17	C19	H18	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C08	N07	C06	80.7°	62.4°
C13	C08	C09	N07	121.8°	120.0°
C13	C08	C09	H10	118.1°	120.0°
C13	C08	N07	H10	118.6°	120.1°
C13	C08	C09	O10	69.1°	63.1°
C13	C08	N07	C12	72.5°	61.3°
C08	C13	H1	H2	120.0°	119.9°
C08	C13	H1	H3	120.0°	120.0°
C08	C13	H2	H3	120.0°	120.0°
C13	C08	C09	H11	51.2°	56.8°
C13	C08	C09	H12	170.7°	177.0°
N14	C15	N18	S16	179.7°	179.7°
N14	C15	S16	C17	4.5°	0.0°
N14	C15	N18	C04	0.3°	0.0°
C15	N14	C06	C05	0.3°	0.0°
C15	N14	C06	N07	179.8°	180.0°
N18	C15	S16	C17	175.8°	179.7°
C15	N18	C04	C03	180.0°	180.0°
C15	N18	C04	C05	0.2°	0.1°
N18	C15	N14	C06	0.0°	0.0°
S16	C15	N18	C04	179.9°	179.7°
S16	C15	N14	C06	179.8°	179.7°
C15	S16	C17	H4	180.0°	180.0°
C15	S16	C17	H5	60.0°	60.0°
C15	S16	C17	H6	60.0°	60.0°
S16	C17	H4	H5	120.0°	120.0°
S16	C17	H4	H6	120.0°	120.0°
S16	C17	H5	H6	120.0°	120.0°
C03	C20	C19	H7	109.5°	107.5°
C03	C20	C19	H8	109.5°	107.5°
C20	C03	C04	C19	77.8°	68.6°
C20	C03	C04	S02	129.6°	145.7°
C20	C03	C19	S02	102.3°	107.5°
C20	C03	C04	C05	94.7°	114.1°
C20	C03	C04	N18	85.6°	65.9°
C20	C03	S02	N01	58.3°	173.7°
C20	C03	S02	N21	82.6°	56.0°
C20	C03	S02	O22	168.1°	65.2°
C03	C20	H7	H8	144.7°	145.7°
C03	C20	C19	H17	109.5°	107.5°
C03	C20	C19	H18	109.5°	107.5°
C19	C20	H7	H8	144.7°	145.6°
C20	C19	H17	H18	144.7°	145.7°
C04	C03	C19	S02	152.4°	145.0°
C03	C04	C05	N18	179.7°	180.0°
C03	C04	C05	C06	179.6°	180.0°
C04	C03	S02	N01	166.3°	40.6°
C04	C03	S02	N21	52.9°	158.3°
C04	C03	S02	O22	32.7°	80.6°
C04	C03	C20	H7	19.3°	0.0°
C04	C03	C20	H8	121.7°	145.0°
C03	C04	C05	H9	0.4°	0.0°
C04	C03	C19	H17	4.2°	0.1°
C04	C03	C19	H18	145.2°	145.0°
C19	C03	C04	C05	16.8°	177.2°
C19	C03	C04	N18	163.4°	2.7°
C19	C03	S02	N01	6.1°	105.1°
C19	C03	S02	N21	146.9°	12.7°
C19	C03	S02	O22	127.6°	133.8°
C03	C19	H17	H18	144.7°	145.7°
S02	C03	C04	C05	135.8°	31.6°
S02	C03	C04	N18	44.0°	148.4°
C03	S02	N01	N21	146.6°	117.5°
C03	S02	N01	O22	139.4°	125.0°
C03	S02	N21	O22	113.4°	125.0°
S02	C03	C20	H7	148.2°	145.0°
S02	C03	C20	H8	7.3°	0.0°
S02	C03	C19	H17	148.2°	145.0°
S02	C03	C19	H18	7.2°	0.1°
C03	S02	N01	H19	139.4°	180.0°
C03	S02	N21	H21	113.4°	175.1°
C04	C05	C06	H9	180.0°	179.9°
C04	C05	C06	N07	179.8°	180.0°
C04	C05	C06	N14	0.4°	0.0°
N18	C04	C05	C06	0.1°	0.0°
N18	C04	C05	H9	179.9°	180.0°
C05	C06	N07	N14	179.4°	180.0°
C05	C06	N07	C08	169.5°	180.0°
C05	C06	N07	C12	19.0°	56.4°
C06	N07	C08	C09	157.5°	177.6°
C06	N07	C08	C12	153.2°	123.8°
C06	N07	C12	C11	157.2°	177.7°
N07	C06	C05	H9	0.2°	0.0°
C06	N07	C08	H10	37.9°	57.6°
C06	N07	C12	H15	82.6°	62.4°
C06	N07	C12	H16	37.0°	57.7°
N14	C06	N07	C08	11.0°	0.0°
N14	C06	N07	C12	161.6°	123.6°
N14	C06	C05	H9	179.6°	179.9°
C09	C08	N07	H10	119.6°	120.0°
C08	C09	O10	H11	120.2°	120.0°
C08	C09	O10	H12	120.2°	119.9°
C08	C09	O10	C11	59.6°	58.6°
C09	C08	N07	C12	49.3°	58.6°
C09	C08	C13	H1	180.0°	60.0°
C09	C08	C13	H2	60.0°	180.0°
C09	C08	C13	H3	60.0°	60.0°
C08	C09	H11	H12	119.3°	120.1°
N07	C08	C09	O10	52.8°	56.8°
C08	N07	C12	C11	50.2°	58.6°
N07	C08	C13	H1	57.2°	59.8°
N07	C08	C13	H2	177.2°	60.2°
N07	C08	C13	H3	62.8°	179.8°
N07	C08	C09	H11	173.0°	176.8°
N07	C08	C09	H12	67.4°	63.0°
C08	N07	C12	H15	70.0°	61.3°
C08	N07	C12	H16	170.4°	178.6°
C09	O10	C11	C12	60.5°	58.6°
O10	C09	C08	H10	172.9°	176.8°
O10	C09	H11	H12	119.4°	120.1°
C09	O10	C11	H13	59.7°	61.3°
C09	O10	C11	H14	179.4°	178.6°
C12	C11	O10	H13	120.1°	119.9°
C12	C11	O10	H14	120.1°	120.0°
C11	C12	N07	H15	120.2°	119.9°
C11	C12	N07	H16	120.2°	120.0°
C12	C11	H13	H14	119.6°	120.1°
C11	C12	H15	H16	119.3°	120.1°
O10	C11	C12	N07	54.6°	56.8°
C11	O10	C09	H11	179.8°	178.6°
C11	O10	C09	H12	60.6°	61.3°
O10	C11	H13	H14	119.6°	120.1°
O10	C11	C12	H15	65.6°	63.1°
O10	C11	C12	H16	174.8°	176.8°
C12	N07	C08	H10	168.9°	178.6°
N07	C12	C11	H13	65.5°	63.1°
N07	C12	C11	H14	174.8°	176.8°
N07	C12	H15	H16	119.3°	120.1°
N01	S02	N21	O22	100.0°	117.5°
N01	S02	N21	H21	100.0°	57.5°
N21	S02	N01	H19	73.9°	62.5°
O22	S02	N01	H19	0.0°	55.0°
O22	S02	N21	H21	0.0°	59.9°
H1	C13	H2	H3	120.0°	120.1°
H1	C13	C08	H10	61.9°	179.9°
H2	C13	C08	H10	58.1°	59.9°
H3	C13	C08	H10	178.1°	60.1°
H4	C17	H5	H6	120.0°	119.9°
H7	C20	C19	H17	0.0°	0.0°
H7	C20	C19	H18	141.0°	145.0°
H8	C20	C19	H17	141.1°	145.0°
H8	C20	C19	H18	0.0°	0.1°
H10	C08	C09	H11	66.9°	63.2°
H10	C08	C09	H12	52.7°	56.9°
H13	C11	C12	H15	174.3°	177.0°
H13	C11	C12	H16	54.7°	56.9°
H14	C11	C12	H15	54.6°	56.9°
H14	C11	C12	H16	65.0°	63.3°

Release date:	2022-01-19
Definition date:	2021-12-07
Last modified:	2022-01-14
Release status:	REL
Processing site:	RCSB
Derived from:	7T36