8AD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.39Å	1.37Å	Aromatic
C1	C11	sing	1.41Å	1.40Å	Aromatic
C1	H1	sing	1.09Å	1.08Å
C2	C3	sing	1.39Å	1.37Å	Aromatic
C2	H2	sing	1.09Å	1.08Å
C3	C4	doub	1.40Å	1.41Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C4	C12	sing	1.39Å	1.43Å	Aromatic
C4	CD1	sing	1.46Å	23.83Å
C5	C6	doub	1.40Å	1.39Å	Aromatic
C5	C14	sing	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.09Å	1.08Å
C6	C7	sing	1.39Å	1.39Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C7	C8	doub	1.39Å	1.38Å	Aromatic
C7	H7	sing	1.09Å	1.08Å
C8	C13	sing	1.41Å	1.41Å	Aromatic
C8	H8	sing	1.09Å	1.08Å
C9	C11	doub	1.40Å	1.43Å	Aromatic
C9	C13	sing	1.40Å	1.42Å	Aromatic
C9	N9	sing	1.42Å	1.36Å
N10	C12	doub	1.35Å	1.32Å	Aromatic
N10	C14	sing	1.35Å	1.31Å	Aromatic
C11	C12	sing	1.40Å	1.45Å	Aromatic
C13	C14	doub	1.41Å	1.44Å	Aromatic
N9	H9A	sing	0.99Å	1.00Å
N9	H9B	sing	0.99Å	1.00Å
CD1	OD1	doub	1.24Å	0.00Å
CD1	ND1	sing	1.40Å	0.00Å
ND1	CD2	sing	1.44Å	0.00Å
ND1	HD1	sing	1.02Å	0.00Å
ND2	CD5	sing	1.46Å	0.00Å
ND2	CD7	sing	1.46Å	0.00Å
ND2	CD8	sing	1.46Å	0.00Å
CD2	CD3	sing	1.53Å	0.00Å
CD2	HD21	sing	1.09Å	0.00Å
CD2	HD22	sing	1.09Å	0.00Å
CD3	CD4	sing	1.53Å	0.00Å
CD3	HD31	sing	1.10Å	0.00Å
CD3	HD32	sing	1.10Å	0.00Å
CD4	CD5	sing	1.52Å	0.00Å
CD4	HD41	sing	1.10Å	0.00Å
CD4	HD42	sing	1.10Å	0.00Å
CD5	HD51	sing	1.09Å	0.00Å
CD5	HD52	sing	1.09Å	0.00Å
CD7	HD71	sing	1.09Å	0.00Å
CD7	HD72	sing	1.09Å	0.00Å
CD7	HD73	sing	1.09Å	0.00Å
CD8	HD81	sing	1.09Å	0.00Å
CD8	HD82	sing	1.09Å	0.00Å
CD8	HD83	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C11	121.2°	120.3°
C2	C1	H1	119.4°	117.8°
C1	C2	C3	121.3°	119.5°
C1	C2	H2	119.4°	120.2°
C11	C1	H1	119.4°	121.8°
C1	C11	C9	122.6°	121.8°
C1	C11	C12	117.6°	120.5°
C3	C2	H2	119.3°	120.2°
C2	C3	C4	122.0°	119.9°
C2	C3	H3	119.0°	119.4°
C4	C3	H3	119.0°	120.7°
C3	C4	C12	116.8°	121.6°
C3	C4	CD1	60.7°	117.8°
C12	C4	CD1	161.0°	120.6°
C4	C12	N10	119.6°	120.0°
C4	C12	C11	121.0°	118.1°
C4	CD1	OD1	90.0°	120.3°
C4	CD1	ND1	90.0°	116.8°
C6	C5	C14	120.0°	121.7°
C6	C5	H5	120.0°	118.6°
C5	C6	C7	121.0°	120.0°
C5	C6	H6	119.5°	119.9°
C14	C5	H5	120.0°	119.8°
C5	C14	N10	118.0°	120.1°
C5	C14	C13	119.4°	118.0°
C7	C6	H6	119.5°	120.1°
C6	C7	C8	118.9°	119.5°
C6	C7	H7	120.5°	120.3°
C8	C7	H7	120.5°	120.2°
C7	C8	C13	122.6°	120.4°
C7	C8	H8	118.7°	117.8°
C13	C8	H8	118.7°	121.8°
C8	C13	C9	124.5°	121.8°
C8	C13	C14	117.4°	120.5°
C11	C9	C13	117.3°	120.6°
C11	C9	N9	122.2°	119.7°
C9	C11	C12	119.8°	117.8°
C13	C9	N9	120.5°	119.7°
C9	C13	C14	118.1°	117.7°
C9	N9	H9A	109.5°	118.7°
C9	N9	H9B	109.4°	118.6°
C12	N10	C14	122.8°	120.1°
N10	C12	C11	119.4°	121.9°
N10	C14	C13	122.3°	121.9°
H9A	N9	H9B	109.5°	122.4°
OD1	CD1	ND1	90.0°	122.8°
CD1	ND1	CD2	90.0°	123.4°
CD1	ND1	HD1	90.0°	119.4°
CD2	ND1	HD1	90.0°	117.1°
ND1	CD2	CD3	90.0°	112.4°
ND1	CD2	HD21	90.0°	107.0°
ND1	CD2	HD22	90.0°	107.9°
CD5	ND2	CD7	90.0°	110.7°
CD5	ND2	CD8	90.0°	110.7°
ND2	CD5	CD4	90.0°	111.6°
ND2	CD5	HD51	90.0°	108.3°
ND2	CD5	HD52	90.0°	107.6°
CD7	ND2	CD8	90.0°	110.2°
ND2	CD7	HD71	90.0°	110.1°
ND2	CD7	HD72	90.0°	110.2°
ND2	CD7	HD73	90.0°	110.3°
ND2	CD8	HD81	90.0°	110.1°
ND2	CD8	HD82	90.0°	110.2°
ND2	CD8	HD83	90.0°	110.2°
CD3	CD2	HD21	90.0°	109.9°
CD3	CD2	HD22	90.0°	111.3°
CD2	CD3	CD4	90.0°	112.5°
CD2	CD3	HD31	90.0°	109.6°
CD2	CD3	HD32	90.0°	108.5°
HD21	CD2	HD22	90.0°	108.2°
CD4	CD3	HD31	90.0°	109.8°
CD4	CD3	HD32	90.0°	109.0°
CD3	CD4	CD5	90.0°	112.1°
CD3	CD4	HD41	90.0°	109.3°
CD3	CD4	HD42	90.0°	109.9°
HD31	CD3	HD32	90.0°	107.2°
CD5	CD4	HD41	90.0°	108.8°
CD5	CD4	HD42	90.0°	109.3°
CD4	CD5	HD51	90.0°	111.2°
CD4	CD5	HD52	90.0°	110.0°
HD41	CD4	HD42	90.0°	107.4°
HD51	CD5	HD52	90.0°	108.0°
HD71	CD7	HD72	90.0°	108.7°
HD71	CD7	HD73	90.0°	108.7°
HD72	CD7	HD73	90.0°	108.7°
HD81	CD8	HD82	90.0°	108.8°
HD81	CD8	HD83	90.0°	108.8°
HD82	CD8	HD83	90.0°	108.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C11	H1	180.0°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	2.4°	0.0°
C1	C2	C3	H3	177.6°	180.0°
C2	C1	C11	C9	179.1°	180.0°
C2	C1	C11	C12	0.1°	0.0°
C11	C1	C2	C3	0.7°	0.0°
C11	C1	C2	H2	179.3°	180.0°
C1	C11	C12	C4	1.3°	0.0°
C1	C11	C9	C12	178.9°	179.9°
C1	C11	C9	C13	178.6°	180.0°
C1	C11	C9	N9	0.5°	0.0°
C1	C11	C12	N10	176.9°	180.0°
H1	C1	C2	C3	179.3°	180.0°
H1	C1	C2	H2	0.7°	0.0°
H1	C1	C11	C9	0.9°	0.0°
H1	C1	C11	C12	179.9°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C12	3.4°	0.0°
C2	C3	C4	CD1	155.2°	179.9°
H2	C2	C3	C4	177.6°	180.0°
H2	C2	C3	H3	2.4°	0.0°
C3	C4	C12	CD1	77.5°	179.9°
C3	C4	C12	N10	175.3°	180.0°
C3	C4	C12	C11	2.9°	0.0°
C3	C4	CD1	OD1	90.0°	88.9°
C3	C4	CD1	ND1	90.0°	90.0°
H3	C3	C4	C12	176.6°	180.0°
H3	C3	C4	CD1	24.8°	0.0°
C4	C12	C11	C9	179.8°	180.0°
C4	C12	N10	C11	178.2°	179.9°
C4	C12	N10	C14	176.9°	179.9°
C12	C4	CD1	OD1	90.0°	91.1°
C12	C4	CD1	ND1	90.0°	90.1°
CD1	C4	C12	N10	107.2°	0.1°
CD1	C4	C12	C11	74.6°	180.0°
C4	CD1	OD1	ND1	90.0°	178.8°
C4	CD1	ND1	CD2	90.0°	178.8°
C4	CD1	ND1	HD1	90.0°	3.1°
C6	C5	C14	H5	180.0°	179.9°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	5.9°	0.0°
C5	C6	C7	H7	174.1°	179.9°
C6	C5	C14	N10	176.3°	180.0°
C6	C5	C14	C13	9.4°	0.1°
C14	C5	C6	C7	9.6°	0.1°
C14	C5	C6	H6	170.4°	180.0°
C5	C14	C13	C8	5.6°	0.1°
C5	C14	C13	C9	172.0°	179.9°
C5	C14	N10	C12	177.0°	180.0°
C5	C14	N10	C13	174.1°	179.9°
H5	C5	C6	C7	170.4°	180.0°
H5	C5	C6	H6	9.6°	0.1°
H5	C5	C14	N10	3.7°	0.1°
H5	C5	C14	C13	170.6°	180.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C13	2.1°	0.1°
C6	C7	C8	H8	177.9°	180.0°
H6	C6	C7	C8	174.1°	179.9°
H6	C6	C7	H7	5.9°	0.0°
C7	C8	C13	H8	180.0°	179.9°
C7	C8	C13	C9	175.4°	180.0°
C7	C8	C13	C14	2.0°	0.0°
H7	C7	C8	C13	177.9°	180.0°
H7	C7	C8	H8	2.1°	0.1°
C8	C13	C9	C11	178.2°	180.0°
C8	C13	C9	C14	177.4°	180.0°
C8	C13	C9	N9	0.1°	0.0°
C8	C13	C14	N10	179.6°	180.0°
H8	C8	C13	C9	4.6°	0.0°
H8	C8	C13	C14	178.0°	180.0°
C11	C9	C13	N9	178.1°	180.0°
C9	C11	C12	N10	2.1°	0.1°
C11	C9	C13	C14	4.4°	0.0°
C11	C9	N9	H9A	49.0°	48.7°
C11	C9	N9	H9B	169.0°	137.6°
C9	C13	C14	N10	2.0°	0.0°
C13	C9	C11	C12	2.5°	0.0°
C13	C9	N9	H9A	129.0°	131.3°
C13	C9	N9	H9B	9.0°	42.4°
N9	C9	C11	C12	179.4°	180.0°
N9	C9	C13	C14	177.4°	180.0°
C9	N9	H9A	H9B	120.0°	173.4°
C12	N10	C14	C13	2.9°	0.1°
C14	N10	C12	C11	4.9°	0.1°
OD1	CD1	ND1	CD2	90.0°	0.0°
OD1	CD1	ND1	HD1	90.0°	175.8°
CD1	ND1	CD2	HD1	90.0°	175.9°
CD1	ND1	CD2	CD3	90.0°	90.0°
CD1	ND1	CD2	HD21	90.0°	30.7°
CD1	ND1	CD2	HD22	90.0°	146.9°
ND1	CD2	CD3	HD21	90.0°	119.1°
ND1	CD2	CD3	HD22	90.0°	121.1°
ND1	CD2	HD21	HD22	90.0°	116.0°
ND1	CD2	CD3	CD4	90.0°	60.9°
ND1	CD2	CD3	HD31	90.0°	61.6°
ND1	CD2	CD3	HD32	90.0°	178.3°
HD1	ND1	CD2	CD3	90.0°	94.1°
HD1	ND1	CD2	HD21	90.0°	145.1°
HD1	ND1	CD2	HD22	90.0°	28.9°
CD5	ND2	CD7	CD8	90.0°	122.8°
ND2	CD5	CD4	CD3	90.0°	178.9°
ND2	CD5	CD4	HD51	90.0°	121.0°
ND2	CD5	CD4	HD52	90.0°	119.4°
ND2	CD5	CD4	HD41	90.0°	57.9°
ND2	CD5	CD4	HD42	90.0°	59.0°
ND2	CD5	HD51	HD52	90.0°	116.3°
CD5	ND2	CD7	HD71	90.0°	108.5°
CD5	ND2	CD7	HD72	90.0°	11.5°
CD5	ND2	CD7	HD73	90.0°	131.5°
CD5	ND2	CD8	HD81	90.0°	114.4°
CD5	ND2	CD8	HD82	90.0°	125.6°
CD5	ND2	CD8	HD83	90.0°	5.6°
CD7	ND2	CD5	CD4	90.0°	177.2°
CD7	ND2	CD5	HD51	90.0°	60.0°
CD7	ND2	CD5	HD52	90.0°	56.5°
ND2	CD7	HD71	HD72	90.0°	120.9°
ND2	CD7	HD71	HD73	90.0°	120.9°
ND2	CD7	HD72	HD73	90.0°	121.0°
CD7	ND2	CD8	HD81	90.0°	122.9°
CD7	ND2	CD8	HD82	90.0°	2.8°
CD7	ND2	CD8	HD83	90.0°	117.1°
CD8	ND2	CD5	CD4	90.0°	60.3°
CD8	ND2	CD5	HD51	90.0°	62.5°
CD8	ND2	CD5	HD52	90.0°	179.0°
CD8	ND2	CD7	HD71	90.0°	128.7°
CD8	ND2	CD7	HD72	90.0°	111.3°
CD8	ND2	CD7	HD73	90.0°	8.7°
ND2	CD8	HD81	HD82	90.0°	120.9°
ND2	CD8	HD81	HD83	90.0°	120.9°
ND2	CD8	HD82	HD83	90.0°	120.9°
CD3	CD2	HD21	HD22	90.0°	121.7°
CD2	CD3	CD4	HD31	90.0°	122.4°
CD2	CD3	CD4	HD32	90.0°	120.5°
CD2	CD3	HD31	HD32	90.0°	117.6°
CD2	CD3	CD4	CD5	90.0°	179.3°
CD2	CD3	CD4	HD41	90.0°	60.0°
CD2	CD3	CD4	HD42	90.0°	57.6°
HD21	CD2	CD3	CD4	90.0°	180.0°
HD21	CD2	CD3	HD31	90.0°	57.5°
HD21	CD2	CD3	HD32	90.0°	59.3°
HD22	CD2	CD3	CD4	90.0°	60.2°
HD22	CD2	CD3	HD31	90.0°	177.3°
HD22	CD2	CD3	HD32	90.0°	60.5°
CD4	CD3	HD31	HD32	90.0°	118.3°
CD3	CD4	CD5	HD41	90.0°	121.0°
CD3	CD4	CD5	HD42	90.0°	122.0°
CD3	CD4	HD41	HD42	90.0°	119.1°
CD3	CD4	CD5	HD51	90.0°	60.0°
CD3	CD4	CD5	HD52	90.0°	59.6°
HD31	CD3	CD4	CD5	90.0°	56.9°
HD31	CD3	CD4	HD41	90.0°	177.6°
HD31	CD3	CD4	HD42	90.0°	64.8°
HD32	CD3	CD4	CD5	90.0°	60.3°
HD32	CD3	CD4	HD41	90.0°	60.5°
HD32	CD3	CD4	HD42	90.0°	178.0°
CD5	CD4	HD41	HD42	90.0°	118.1°
CD4	CD5	HD51	HD52	90.0°	120.7°
HD41	CD4	CD5	HD51	90.0°	179.0°
HD41	CD4	CD5	HD52	90.0°	61.5°
HD42	CD4	CD5	HD51	90.0°	62.0°
HD42	CD4	CD5	HD52	90.0°	178.4°
HD71	CD7	HD72	HD73	90.0°	118.2°
HD81	CD8	HD82	HD83	90.0°	118.3°

Definition date:	2000-08-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1FN1