FTL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	N2	sing	1.46Å	1.49Å
C8	C11	sing	1.51Å	1.53Å
C8	HC81	sing	1.09Å	1.11Å
C8	HC82	sing	1.09Å	1.12Å
N2	C40	sing	1.39Å	1.39Å
N2	C18	sing	1.46Å	1.48Å
C40	C43	doub	1.39Å	1.42Å	Aromatic
C40	C47	sing	1.39Å	1.41Å	Aromatic
C43	C44	sing	1.38Å	1.41Å	Aromatic
C43	HC43	sing	1.08Å	1.10Å
C44	C45	doub	1.40Å	1.41Å	Aromatic
C44	HC44	sing	1.08Å	1.10Å
C45	C46	sing	1.41Å	1.40Å	Aromatic
C45	C65	sing	1.43Å	1.45Å
C46	C47	doub	1.39Å	1.41Å	Aromatic
C46	C51	sing	1.48Å	1.50Å	Aromatic
C47	HC47	sing	1.08Å	1.10Å
C51	C52	doub	1.42Å	1.42Å	Aromatic
C51	C56	sing	1.39Å	1.41Å	Aromatic
C52	C53	sing	1.42Å	1.46Å	Aromatic
C52	C2	sing	1.40Å	1.42Å	Aromatic
C53	C54	doub	1.41Å	1.41Å	Aromatic
C53	C7	sing	1.41Å	1.41Å	Aromatic
C54	C55	sing	1.36Å	1.41Å	Aromatic
C54	HC54	sing	1.08Å	1.10Å
C55	C56	doub	1.39Å	1.41Å	Aromatic
C55	HC55	sing	1.08Å	1.10Å
C56	HC56	sing	1.08Å	1.10Å
C65	N1	trip	1.14Å	1.16Å
C7	C3	doub	1.36Å	1.41Å	Aromatic
C7	HC7	sing	1.08Å	1.10Å
C2	C4	doub	1.36Å	1.41Å	Aromatic
C2	HC2	sing	1.08Å	1.10Å
C3	C4	sing	1.39Å	1.41Å	Aromatic
C3	HC3	sing	1.08Å	1.10Å
C4	HC4	sing	1.08Å	1.10Å
N3	C10	sing	1.34Å	1.37Å	Aromatic
N3	C5	doub	1.30Å	1.38Å	Aromatic
C10	C12	doub	1.35Å	1.42Å	Aromatic
C10	HC10	sing	1.08Å	1.10Å
C12	N4	sing	1.37Å	1.34Å	Aromatic
C12	C18	sing	1.51Å	1.53Å
N4	C5	sing	1.35Å	1.37Å	Aromatic
N4	C15	sing	1.46Å	1.47Å
C5	HC5	sing	1.08Å	1.10Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C15	H153	sing	1.09Å	1.12Å
C16	C11	doub	1.38Å	1.41Å	Aromatic
C16	C6	sing	1.38Å	1.41Å	Aromatic
C16	HC16	sing	1.08Å	1.10Å
C11	C13	sing	1.38Å	1.41Å	Aromatic
C13	C14	doub	1.40Å	1.41Å	Aromatic
C13	HC13	sing	1.08Å	1.10Å
C14	C17	sing	1.40Å	1.41Å	Aromatic
C14	C9	sing	1.43Å	1.44Å
C17	C6	doub	1.38Å	1.41Å	Aromatic
C17	HC17	sing	1.08Å	1.10Å
C6	HC6	sing	1.08Å	1.10Å
C9	N5	trip	1.14Å	1.16Å
C18	H181	sing	1.09Å	1.11Å
C18	H182	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C8	C11	125.1°	109.5°
N2	C8	HC81	106.7°	109.5°
N2	C8	HC82	106.7°	109.5°
C8	N2	C40	122.0°	120.0°
C8	N2	C18	116.7°	120.0°
C11	C8	HC81	106.7°	109.5°
C11	C8	HC82	106.7°	109.4°
C8	C11	C16	124.9°	119.9°
C8	C11	C13	115.6°	119.9°
HC81	C8	HC82	102.9°	109.5°
C40	N2	C18	120.8°	120.0°
N2	C40	C43	121.4°	119.8°
N2	C40	C47	119.9°	119.8°
N2	C18	C12	115.2°	109.5°
N2	C18	H181	110.1°	109.5°
N2	C18	H182	110.1°	109.5°
C43	C40	C47	118.7°	120.4°
C40	C43	C44	120.6°	120.3°
C40	C43	HC43	120.0°	119.8°
C40	C47	C46	121.3°	119.9°
C40	C47	HC47	119.3°	120.1°
C44	C43	HC43	119.4°	119.8°
C43	C44	C45	119.5°	120.0°
C43	C44	HC44	120.2°	120.0°
C45	C44	HC44	120.3°	120.0°
C44	C45	C46	120.8°	119.7°
C44	C45	C65	117.8°	120.1°
C46	C45	C65	121.4°	120.2°
C45	C46	C47	119.1°	119.7°
C45	C46	C51	124.0°	120.2°
C45	C65	N1	179.4°	180.0°
C47	C46	C51	116.9°	120.2°
C46	C47	HC47	119.4°	120.0°
C46	C51	C52	121.8°	120.3°
C46	C51	C56	118.8°	120.4°
C52	C51	C56	119.3°	119.3°
C51	C52	C53	119.3°	119.3°
C51	C52	C2	122.1°	121.3°
C51	C56	C55	121.1°	120.7°
C51	C56	HC56	119.7°	119.6°
C53	C52	C2	118.7°	119.4°
C52	C53	C54	119.9°	119.5°
C52	C53	C7	120.1°	119.3°
C52	C2	C4	120.4°	119.7°
C52	C2	HC2	120.1°	120.1°
C54	C53	C7	120.0°	121.1°
C53	C54	C55	120.0°	120.1°
C53	C54	HC54	120.0°	120.0°
C53	C7	C3	119.7°	119.6°
C53	C7	HC7	120.1°	120.2°
C55	C54	HC54	120.0°	119.9°
C54	C55	C56	120.4°	121.1°
C54	C55	HC55	119.8°	119.5°
C56	C55	HC55	119.8°	119.4°
C55	C56	HC56	119.2°	119.7°
C3	C7	HC7	120.2°	120.2°
C7	C3	C4	120.7°	121.0°
C7	C3	HC3	119.7°	119.5°
C4	C2	HC2	119.5°	120.2°
C2	C4	C3	120.4°	121.0°
C2	C4	HC4	119.7°	119.6°
C4	C3	HC3	119.6°	119.5°
C3	C4	HC4	119.9°	119.5°
C10	N3	C5	110.8°	109.2°
N3	C10	C12	104.2°	108.1°
N3	C10	HC10	126.5°	126.0°
N3	C5	N4	106.3°	108.7°
N3	C5	HC5	127.3°	125.7°
C12	C10	HC10	129.3°	125.9°
C10	C12	N4	109.0°	106.8°
C10	C12	C18	126.2°	126.6°
N4	C12	C18	124.9°	126.6°
C12	N4	C5	109.6°	107.2°
C12	N4	C15	125.6°	126.4°
C12	C18	H181	110.1°	109.4°
C12	C18	H182	110.1°	109.5°
C5	N4	C15	124.8°	126.4°
N4	C5	HC5	126.3°	125.6°
N4	C15	H151	106.6°	109.4°
N4	C15	H152	125.6°	109.5°
N4	C15	H153	106.5°	109.5°
H151	C15	H152	106.5°	109.4°
H151	C15	H153	103.0°	109.5°
H152	C15	H153	106.5°	109.5°
C11	C16	C6	120.7°	120.3°
C11	C16	HC16	119.7°	119.9°
C16	C11	C13	119.5°	120.2°
C6	C16	HC16	119.6°	119.8°
C16	C6	C17	119.1°	120.1°
C16	C6	HC6	120.6°	119.9°
C11	C13	C14	120.1°	119.8°
C11	C13	HC13	120.1°	120.1°
C14	C13	HC13	119.8°	120.1°
C13	C14	C17	120.0°	119.7°
C13	C14	C9	120.1°	120.1°
C17	C14	C9	119.8°	120.2°
C14	C17	C6	120.6°	119.9°
C14	C17	HC17	119.7°	120.1°
C14	C9	N5	179.5°	180.0°
C6	C17	HC17	119.8°	120.1°
C17	C6	HC6	120.3°	119.9°
H181	C18	H182	100.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C8	C11	HC81	125.3°	120.0°
N2	C8	C11	HC82	125.2°	120.0°
N2	C8	HC81	HC82	112.1°	120.1°
C8	N2	C40	C18	171.7°	180.0°
C8	N2	C40	C43	174.1°	176.2°
C8	N2	C40	C47	3.1°	3.5°
C8	N2	C18	C12	75.9°	95.4°
N2	C8	C11	C16	12.8°	95.2°
N2	C8	C11	C13	168.6°	85.0°
C8	N2	C18	H181	49.4°	24.6°
C8	N2	C18	H182	158.8°	144.6°
C11	C8	HC81	HC82	112.1°	119.9°
C11	C8	N2	C40	77.1°	95.7°
C11	C8	N2	C18	110.9°	84.3°
C8	C11	C16	C13	178.6°	179.8°
C8	C11	C16	C6	178.5°	180.0°
C8	C11	C16	HC16	1.5°	0.1°
C8	C11	C13	C14	178.3°	179.8°
C8	C11	C13	HC13	1.7°	0.3°
HC81	C8	N2	C40	157.6°	24.3°
HC81	C8	N2	C18	14.4°	155.7°
HC81	C8	C11	C16	112.4°	24.8°
HC81	C8	C11	C13	66.2°	155.0°
HC82	C8	N2	C40	48.1°	144.4°
HC82	C8	N2	C18	123.9°	35.6°
HC82	C8	C11	C16	138.1°	144.7°
HC82	C8	C11	C13	43.3°	35.0°
N2	C40	C43	C47	177.3°	179.8°
N2	C40	C43	C44	176.9°	179.9°
N2	C40	C43	HC43	3.1°	0.0°
N2	C40	C47	C46	177.1°	179.8°
N2	C40	C47	HC47	2.9°	0.3°
C40	N2	C18	C12	96.2°	84.6°
C40	N2	C18	H181	138.5°	155.4°
C40	N2	C18	H182	29.1°	35.4°
C18	N2	C40	C43	2.4°	3.8°
C18	N2	C40	C47	174.8°	176.5°
N2	C18	C12	C10	9.0°	93.5°
N2	C18	C12	N4	170.0°	87.0°
N2	C18	C12	H181	125.3°	120.0°
N2	C18	C12	H182	125.3°	120.0°
N2	C18	H181	H182	115.9°	120.0°
C40	C43	C44	HC43	180.0°	179.9°
C40	C43	C44	C45	0.4°	0.1°
C40	C43	C44	HC44	179.7°	180.0°
C43	C40	C47	C46	0.2°	0.5°
C43	C40	C47	HC47	179.7°	180.0°
C47	C40	C43	C44	0.4°	0.3°
C47	C40	C43	HC43	179.6°	179.8°
C40	C47	C46	C45	0.1°	0.4°
C40	C47	C46	HC47	180.0°	179.5°
C40	C47	C46	C51	180.0°	179.7°
C43	C44	C45	HC44	180.0°	179.9°
C43	C44	C45	C46	0.2°	0.1°
C43	C44	C45	C65	178.6°	179.9°
HC43	C43	C44	C45	179.6°	180.0°
HC43	C43	C44	HC44	0.3°	0.1°
C44	C45	C46	C65	178.8°	180.0°
C44	C45	C46	C47	0.1°	0.2°
C44	C45	C46	C51	179.9°	179.9°
C44	C45	C65	N1	145.5°	48.9°
HC44	C44	C45	C46	179.8°	179.9°
HC44	C44	C45	C65	1.4°	0.1°
C45	C46	C47	C51	179.9°	179.8°
C45	C46	C47	HC47	179.9°	180.0°
C45	C46	C51	C52	119.7°	59.7°
C45	C46	C51	C56	62.7°	119.9°
C46	C45	C65	N1	33.3°	131.1°
C65	C45	C46	C47	178.7°	179.8°
C65	C45	C46	C51	1.2°	0.1°
C47	C46	C51	C52	60.1°	120.1°
C47	C46	C51	C56	117.5°	60.2°
C51	C46	C47	HC47	0.0°	0.2°
C46	C51	C52	C56	177.6°	179.6°
C46	C51	C52	C53	177.0°	179.7°
C46	C51	C52	C2	3.1°	0.7°
C46	C51	C56	C55	177.2°	180.0°
C46	C51	C56	HC56	2.8°	0.0°
C51	C52	C53	C2	179.9°	179.0°
C51	C52	C53	C54	0.3°	0.7°
C51	C52	C53	C7	179.6°	179.6°
C52	C51	C56	C55	0.5°	0.4°
C52	C51	C56	HC56	179.6°	179.7°
C51	C52	C2	C4	179.8°	179.6°
C51	C52	C2	HC2	0.2°	0.7°
C56	C51	C52	C53	0.6°	0.7°
C56	C51	C52	C2	179.3°	179.7°
C51	C56	C55	C54	0.0°	0.0°
C51	C56	C55	HC56	180.0°	180.0°
C51	C56	C55	HC55	179.9°	179.9°
C52	C53	C54	C7	179.9°	179.7°
C52	C53	C54	C55	0.1°	0.3°
C52	C53	C54	HC54	179.9°	179.7°
C52	C53	C7	C3	0.3°	0.3°
C52	C53	C7	HC7	179.7°	179.7°
C53	C52	C2	C4	0.2°	0.6°
C53	C52	C2	HC2	179.8°	179.7°
C2	C52	C53	C54	179.6°	179.7°
C2	C52	C53	C7	0.5°	0.6°
C52	C2	C4	HC2	180.0°	179.6°
C52	C2	C4	C3	0.2°	0.4°
C52	C2	C4	HC4	179.8°	179.7°
C53	C54	C55	HC54	180.0°	180.0°
C53	C54	C55	C56	0.3°	0.0°
C53	C54	C55	HC55	179.8°	180.0°
C54	C53	C7	C3	179.8°	180.0°
C54	C53	C7	HC7	0.2°	0.0°
C7	C53	C54	C55	180.0°	180.0°
C7	C53	C54	HC54	0.0°	0.0°
C53	C7	C3	HC7	180.0°	180.0°
C53	C7	C3	C4	0.2°	0.0°
C53	C7	C3	HC3	179.8°	180.0°
C54	C55	C56	HC55	180.0°	180.0°
C54	C55	C56	HC56	180.0°	180.0°
HC54	C54	C55	C56	179.8°	180.0°
HC54	C54	C55	HC55	0.2°	0.0°
HC55	C55	C56	HC56	0.0°	0.0°
C7	C3	C4	C2	0.4°	0.0°
C7	C3	C4	HC3	180.0°	180.0°
C7	C3	C4	HC4	179.6°	180.0°
HC7	C7	C3	C4	179.8°	180.0°
HC7	C7	C3	HC3	0.2°	0.0°
C2	C4	C3	HC4	180.0°	179.9°
C2	C4	C3	HC3	179.6°	179.9°
HC2	C2	C4	C3	179.8°	180.0°
HC2	C2	C4	HC4	0.2°	0.1°
HC3	C3	C4	HC4	0.4°	0.0°
N3	C10	C12	HC10	180.0°	179.8°
N3	C10	C12	N4	0.2°	0.4°
N3	C10	C12	C18	179.0°	180.0°
C10	N3	C5	N4	0.0°	0.1°
C10	N3	C5	HC5	180.0°	179.9°
C5	N3	C10	C12	0.1°	0.2°
C5	N3	C10	HC10	179.9°	180.0°
N3	C5	N4	C12	0.1°	0.4°
N3	C5	N4	HC5	180.0°	179.8°
N3	C5	N4	C15	179.2°	180.0°
C10	C12	N4	C18	179.2°	179.6°
C10	C12	N4	C5	0.2°	0.5°
C10	C12	N4	C15	179.1°	179.9°
C10	C12	C18	H181	134.3°	146.5°
C10	C12	C18	H182	116.2°	26.5°
HC10	C10	C12	N4	179.8°	179.8°
HC10	C10	C12	C18	1.0°	0.2°
C12	N4	C5	C15	179.3°	179.6°
C12	N4	C5	HC5	179.9°	179.8°
C12	N4	C15	H151	54.7°	96.4°
C12	N4	C15	H152	180.0°	23.5°
C12	N4	C15	H153	54.7°	143.6°
N4	C12	C18	H181	44.8°	33.0°
N4	C12	C18	H182	64.7°	153.0°
C18	C12	N4	C5	179.0°	180.0°
C18	C12	N4	C15	1.7°	0.3°
C12	C18	H181	H182	115.9°	120.0°
C5	N4	C15	H151	126.0°	84.0°
C5	N4	C15	H152	0.8°	156.0°
C5	N4	C15	H153	124.5°	36.0°
C15	N4	C5	HC5	0.8°	0.1°
N4	C15	H151	H152	136.2°	120.0°
N4	C15	H151	H153	111.9°	120.0°
N4	C15	H152	H153	125.2°	120.1°
H151	C15	H152	H153	109.5°	120.0°
C11	C16	C6	HC16	180.0°	179.9°
C16	C11	C13	C14	0.4°	0.4°
C16	C11	C13	HC13	179.6°	179.9°
C11	C16	C6	C17	0.1°	0.1°
C11	C16	C6	HC6	179.9°	180.0°
C6	C16	C11	C13	0.1°	0.2°
C16	C6	C17	C14	0.0°	0.1°
C16	C6	C17	HC6	180.0°	180.0°
C16	C6	C17	HC17	180.0°	179.9°
HC16	C16	C11	C13	179.9°	179.7°
HC16	C16	C6	C17	179.9°	180.0°
HC16	C16	C6	HC6	0.1°	0.1°
C11	C13	C14	HC13	180.0°	179.5°
C11	C13	C14	C17	0.5°	0.5°
C11	C13	C14	C9	178.3°	179.7°
C13	C14	C17	C9	178.8°	179.8°
C13	C14	C17	C6	0.3°	0.2°
C13	C14	C17	HC17	179.7°	179.8°
C13	C14	C9	N5	87.1°	111.2°
HC13	C13	C14	C17	179.5°	180.0°
HC13	C13	C14	C9	1.7°	0.2°
C14	C17	C6	HC17	180.0°	180.0°
C14	C17	C6	HC6	180.0°	180.0°
C17	C14	C9	N5	91.6°	68.6°
C9	C14	C17	C6	178.5°	180.0°
C9	C14	C17	HC17	1.5°	0.0°
HC17	C17	C6	HC6	0.0°	0.0°

Definition date:	2003-01-07
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1NL4