09C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.50Å	1.50Å
C1	O1	doub	1.21Å	1.24Å
N1	C2	sing	1.47Å	1.45Å
C2	C16	sing	1.51Å	1.57Å
C2	HA	sing	1.09Å	1.10Å
N2	C1	sing	1.34Å	1.44Å
N3	C7	sing	1.37Å	1.31Å	Aromatic
N4	C18	sing	1.38Å	1.32Å	Aromatic
BR1	C13	sing	1.89Å	1.90Å
C3	C5	sing	1.37Å	1.42Å	Aromatic
C3	HAD	sing	1.08Å	1.08Å
C4	HAE	sing	1.08Å	1.08Å
C5	C19	doub	1.40Å	1.40Å	Aromatic
C5	HAF	sing	1.08Å	1.08Å
C6	C4	doub	1.37Å	1.41Å	Aromatic
C6	HAG	sing	1.08Å	1.08Å
C7	HAH	sing	1.08Å	1.08Å
C8	N4	sing	1.37Å	1.32Å	Aromatic
C8	C16	doub	1.34Å	1.34Å	Aromatic
C8	HAI	sing	1.08Å	1.08Å
C9	C17	doub	1.39Å	1.37Å	Aromatic
C9	HAJ	sing	1.08Å	1.08Å
C10	C14	doub	1.38Å	1.37Å	Aromatic
C10	HAK	sing	1.08Å	1.08Å
C11	C12	sing	1.53Å	1.52Å
C11	N2	sing	1.46Å	1.51Å
C11	H1AL	sing	1.09Å	1.10Å
C11	H2AL	sing	1.09Å	1.10Å
C12	N1	sing	1.48Å	1.32Å
C13	C3	doub	1.39Å	1.41Å	Aromatic
C13	C9	sing	1.38Å	1.37Å	Aromatic
C14	C4	sing	1.39Å	1.41Å	Aromatic
C14	BR2	sing	1.89Å	1.89Å
C15	C7	doub	1.34Å	1.33Å	Aromatic
C15	C12	sing	1.51Å	1.40Å
C16	C20	sing	1.47Å	1.41Å	Aromatic
C17	C19	sing	1.41Å	1.41Å	Aromatic
C17	N3	sing	1.38Å	1.31Å	Aromatic
C18	C20	doub	1.41Å	1.41Å	Aromatic
C18	C10	sing	1.39Å	1.37Å	Aromatic
C19	C15	sing	1.46Å	1.41Å	Aromatic
C20	C6	sing	1.40Å	1.39Å	Aromatic
N1	H12	sing	1.01Å	1.00Å
N2	H13	sing	0.97Å	1.00Å
N3	H14	sing	0.97Å	1.00Å
N4	H15	sing	0.97Å	1.00Å
C12	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	117.7°	118.6°
C1	C2	N1	107.7°	110.0°
C1	C2	C16	116.2°	109.4°
C1	C2	HA	103.3°	109.4°
C2	C1	N2	120.0°	122.7°
O1	C1	N2	122.3°	118.6°
N1	C2	C16	98.0°	109.4°
N1	C2	HA	120.2°	109.4°
C2	N1	C12	134.7°	109.9°
C2	N1	H12	101.8°	111.0°
C16	C2	HA	112.2°	109.3°
C2	C16	C8	118.5°	126.5°
C2	C16	C20	135.3°	126.5°
C1	N2	C11	125.4°	123.0°
C1	N2	H13	117.3°	118.5°
N3	C7	HAH	123.9°	125.0°
N3	C7	C15	112.2°	109.9°
C7	N3	C17	107.6°	109.9°
C7	N3	H14	126.2°	125.1°
C18	N4	C8	107.0°	109.8°
N4	C18	C20	110.3°	107.2°
N4	C18	C10	126.8°	133.5°
C18	N4	H15	126.5°	125.1°
BR1	C13	C3	127.9°	119.7°
BR1	C13	C9	113.2°	119.7°
C5	C3	HAD	119.4°	119.7°
C3	C5	C19	119.0°	119.8°
C3	C5	HAF	120.5°	120.1°
C5	C3	C13	121.2°	120.5°
HAD	C3	C13	119.4°	119.7°
HAE	C4	C6	119.3°	119.8°
HAE	C4	C14	119.3°	119.7°
C19	C5	HAF	120.5°	120.1°
C5	C19	C17	117.2°	119.9°
C5	C19	C15	139.3°	134.1°
C4	C6	HAG	121.2°	120.1°
C6	C4	C14	121.4°	120.5°
C4	C6	C20	117.6°	119.8°
HAG	C6	C20	121.2°	120.2°
HAH	C7	C15	123.9°	125.1°
N4	C8	C16	112.5°	110.0°
N4	C8	HAI	123.8°	125.0°
C8	N4	H15	126.5°	125.1°
C16	C8	HAI	123.8°	125.0°
C8	C16	C20	106.1°	107.0°
C17	C9	HAJ	120.0°	120.1°
C17	C9	C13	120.0°	119.8°
C9	C17	C19	123.6°	119.3°
C9	C17	N3	126.1°	133.5°
HAJ	C9	C13	120.0°	120.1°
C14	C10	HAK	120.8°	120.1°
C10	C14	C4	120.5°	120.6°
C10	C14	BR2	113.9°	119.7°
C14	C10	C18	118.4°	119.8°
HAK	C10	C18	120.8°	120.1°
C12	C11	N2	109.3°	110.0°
C12	C11	H1AL	109.5°	109.3°
C12	C11	H2AL	109.5°	109.4°
C11	C12	N1	118.2°	108.6°
C11	C12	C15	136.4°	109.6°
C11	C12	H16	51.9°	109.6°
N2	C11	H1AL	109.5°	109.2°
N2	C11	H2AL	109.5°	109.5°
C11	N2	H13	117.3°	118.5°
H1AL	C11	H2AL	109.4°	109.3°
N1	C12	C15	104.7°	109.5°
C12	N1	H12	101.8°	111.4°
N1	C12	H16	149.8°	109.8°
C3	C13	C9	118.9°	120.6°
C4	C14	BR2	125.6°	119.7°
C7	C15	C12	114.8°	126.5°
C7	C15	C19	106.4°	107.1°
C12	C15	C19	138.8°	126.4°
C15	C12	H16	94.1°	109.7°
C16	C20	C18	104.1°	106.0°
C16	C20	C6	136.8°	134.0°
C19	C17	N3	110.3°	107.1°
C17	C19	C15	103.5°	106.0°
C17	N3	H14	126.2°	125.0°
C20	C18	C10	122.9°	119.4°
C18	C20	C6	119.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	N2	177.2°	179.8°
C1	C2	N1	C16	120.8°	120.2°
C1	C2	N1	HA	117.7°	120.1°
C1	C2	C16	HA	118.5°	119.8°
C1	C2	C16	C8	116.5°	94.9°
C2	C1	N2	C11	1.1°	1.7°
C1	C2	N1	C12	13.5°	50.6°
C1	C2	C16	C20	67.6°	85.0°
C1	C2	N1	H12	106.5°	73.1°
C2	C1	N2	H13	178.9°	178.3°
O1	C1	C2	N1	167.5°	162.8°
O1	C1	C2	C16	58.9°	42.6°
O1	C1	C2	HA	64.4°	77.1°
O1	C1	N2	C11	178.2°	178.5°
O1	C1	N2	H13	1.8°	1.5°
N1	C2	C16	HA	127.2°	119.7°
N1	C2	C1	N2	15.3°	17.5°
N1	C2	C16	C8	2.2°	25.6°
C2	N1	C12	C11	5.1°	69.3°
C2	N1	C12	H12	120.0°	123.5°
C2	N1	C12	C15	166.5°	171.0°
N1	C2	C16	C20	178.2°	154.5°
C2	N1	C12	H16	66.9°	50.5°
C16	C2	C1	N2	123.9°	137.6°
C2	C16	C8	N4	178.9°	180.0°
C2	C16	C8	C20	177.0°	180.0°
C2	C16	C8	HAI	1.1°	0.0°
C16	C2	N1	C12	134.3°	170.8°
C2	C16	C20	C18	177.5°	180.0°
C2	C16	C20	C6	3.1°	0.1°
C16	C2	N1	H12	14.3°	47.1°
HA	C2	C1	N2	112.8°	102.7°
HA	C2	C16	C8	125.0°	145.3°
HA	C2	N1	C12	104.2°	69.5°
HA	C2	C16	C20	51.0°	34.7°
HA	C2	N1	H12	135.8°	166.8°
C1	N2	C11	C12	16.8°	18.2°
C1	N2	C11	H13	180.0°	180.0°
C1	N2	C11	H1AL	136.8°	138.2°
C1	N2	C11	H2AL	103.2°	102.1°
N3	C7	HAH	C15	180.0°	180.0°
C7	N3	C17	C9	179.8°	179.9°
N3	C7	C15	C12	179.4°	180.0°
C7	N3	C17	C19	0.1°	0.4°
C7	N3	C17	H14	180.0°	179.9°
N3	C7	C15	C19	1.0°	0.0°
C18	N4	C8	H15	180.0°	179.8°
C18	N4	C8	C16	1.7°	0.0°
C18	N4	C8	HAI	178.3°	180.0°
N4	C18	C10	C14	179.6°	180.0°
N4	C18	C10	HAK	0.4°	0.2°
N4	C18	C20	C16	0.2°	0.0°
N4	C18	C20	C10	179.5°	179.8°
N4	C18	C20	C6	179.7°	179.9°
BR1	C13	C3	C5	180.0°	180.0°
BR1	C13	C3	HAD	0.0°	0.0°
BR1	C13	C9	C17	180.0°	180.0°
BR1	C13	C9	HAJ	0.0°	0.0°
BR1	C13	C3	C9	179.7°	179.9°
C5	C3	HAD	C13	180.0°	180.0°
C3	C5	C19	HAF	180.0°	180.0°
C5	C3	C13	C9	0.3°	0.1°
C3	C5	C19	C17	0.1°	0.0°
C3	C5	C19	C15	179.3°	180.0°
HAD	C3	C5	C19	179.8°	179.9°
HAD	C3	C5	HAF	0.2°	0.1°
HAD	C3	C13	C9	179.7°	179.9°
HAE	C4	C6	C14	180.0°	179.9°
HAE	C4	C6	HAG	0.3°	0.1°
HAE	C4	C14	C10	179.8°	180.0°
HAE	C4	C14	BR2	0.1°	0.1°
HAE	C4	C6	C20	179.7°	180.0°
C5	C19	C17	C9	0.0°	0.0°
C19	C5	C3	C13	0.2°	0.1°
C5	C19	C15	C7	179.6°	179.7°
C5	C19	C15	C12	1.9°	0.3°
C5	C19	C17	C15	179.6°	180.0°
C5	C19	C17	N3	179.9°	179.6°
HAF	C5	C3	C13	179.8°	179.9°
HAF	C5	C19	C17	179.9°	180.0°
HAF	C5	C19	C15	0.7°	0.0°
C4	C6	HAG	C20	180.0°	179.9°
C6	C4	C14	C10	0.2°	0.0°
C6	C4	C14	BR2	179.9°	180.0°
C4	C6	C20	C16	179.0°	180.0°
C4	C6	C20	C18	0.3°	0.1°
HAG	C6	C4	C14	179.7°	179.8°
HAG	C6	C20	C16	1.0°	0.1°
HAG	C6	C20	C18	179.7°	180.0°
HAH	C7	C15	C12	0.6°	0.0°
HAH	C7	N3	C17	179.3°	179.8°
HAH	C7	C15	C19	179.0°	179.9°
HAH	C7	N3	H14	0.7°	0.1°
N4	C8	C16	HAI	180.0°	180.0°
N4	C8	C16	C20	1.8°	0.0°
C8	N4	C18	C20	0.9°	0.1°
C8	N4	C18	C10	179.6°	179.8°
C8	C16	C20	C18	1.2°	0.0°
C8	C16	C20	C6	179.4°	179.9°
C16	C8	N4	H15	178.3°	179.7°
HAI	C8	C16	C20	178.1°	180.0°
HAI	C8	N4	H15	1.7°	0.2°
C17	C9	HAJ	C13	180.0°	180.0°
C17	C9	C13	C3	0.2°	0.0°
C9	C17	C19	N3	179.9°	179.6°
C9	C17	C19	C15	179.6°	180.0°
C9	C17	N3	H14	0.2°	0.2°
HAJ	C9	C13	C3	179.8°	179.9°
HAJ	C9	C17	C19	179.9°	180.0°
HAJ	C9	C17	N3	0.2°	0.5°
C14	C10	HAK	C18	180.0°	179.8°
C10	C14	C4	BR2	179.9°	180.0°
C14	C10	C18	C20	0.1°	0.3°
HAK	C10	C14	C4	179.9°	180.0°
HAK	C10	C14	BR2	0.0°	0.0°
HAK	C10	C18	C20	179.9°	179.9°
C12	C11	N2	H1AL	120.0°	120.0°
C12	C11	N2	H2AL	120.0°	120.3°
C12	C11	H1AL	H2AL	120.1°	119.8°
C11	C12	N1	C15	171.6°	119.6°
C11	C12	N1	H16	61.8°	119.8°
C11	C12	C15	C7	145.6°	99.9°
C11	C12	C15	H16	34.6°	120.4°
C11	C12	C15	C19	32.1°	80.1°
C11	C12	N1	H12	125.1°	54.2°
C12	C11	N2	H13	163.2°	161.8°
N2	C11	H1AL	H2AL	120.0°	119.8°
N2	C11	C12	N1	19.4°	50.5°
N2	C11	C12	C15	148.8°	170.1°
N2	C11	C12	H16	165.1°	69.4°
H1AL	C11	C12	N1	139.4°	170.4°
H1AL	C11	C12	C15	28.8°	70.0°
H1AL	C11	N2	H13	43.2°	41.8°
H1AL	C11	C12	H16	74.9°	50.5°
H2AL	C11	C12	N1	100.6°	69.9°
H2AL	C11	C12	C15	91.2°	49.7°
H2AL	C11	N2	H13	76.8°	77.9°
H2AL	C11	C12	H16	45.1°	170.2°
N1	C12	C15	C7	23.7°	19.1°
N1	C12	C15	H16	156.1°	120.6°
N1	C12	C15	C19	158.7°	160.9°
C13	C9	C17	C19	0.1°	0.0°
C13	C9	C17	N3	179.8°	179.5°
C4	C14	C10	C18	0.2°	0.2°
C14	C4	C6	C20	0.3°	0.1°
BR2	C14	C10	C18	180.0°	179.8°
C7	C15	C12	C19	177.6°	180.0°
C7	C15	C19	C17	0.9°	0.3°
C15	C7	N3	C17	0.7°	0.2°
C15	C7	N3	H14	179.3°	179.9°
C7	C15	C12	H16	179.8°	139.6°
C12	C15	C19	C17	178.6°	179.7°
C15	C12	N1	H12	46.5°	65.4°
C16	C20	C18	C6	179.5°	179.9°
C16	C20	C18	C10	179.3°	179.8°
C19	C17	N3	H14	179.9°	179.8°
N3	C17	C19	C15	0.5°	0.4°
C20	C18	N4	H15	179.2°	179.7°
C10	C18	C20	C6	0.2°	0.3°
C10	C18	N4	H15	0.4°	0.0°
C19	C15	C12	H16	2.6°	40.4°
H12	N1	C12	H16	173.1°	174.0°

Definition date:	2011-07-26
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3T07