EFW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C12	sing	1.43Å	1.43Å
C12	C11	sing	1.55Å	1.51Å
C12	C14	sing	1.54Å	1.52Å
C11	C10	sing	1.55Å	1.52Å
C14	C9	sing	1.54Å	1.52Å
C10	C9	sing	1.54Å	1.50Å
C9	N8	sing	1.46Å	1.46Å
N8	C7	sing	1.38Å	1.40Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.37Å	1.38Å	Aromatic
C7	N15	sing	1.33Å	1.35Å	Aromatic
C5	C4	doub	1.40Å	1.39Å	Aromatic
N15	C16	doub	1.32Å	1.34Å	Aromatic
C4	C16	sing	1.40Å	1.37Å	Aromatic
C4	C2	sing	1.48Å	1.47Å
C2	O3	doub	1.22Å	1.23Å
C2	N1	sing	1.35Å	1.38Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
N1	H12	sing	0.97Å	1.00Å
N1	H13	sing	0.97Å	1.00Å
N8	H14	sing	0.97Å	1.00Å
O13	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	C12	C11	108.1°	110.5°
O13	C12	C14	107.7°	110.5°
O13	C12	H11	112.1°	110.5°
C12	O13	H15	109.5°	114.0°
C11	C12	C14	107.1°	104.2°
C12	C11	C10	106.2°	102.8°
C12	C11	H6	110.3°	110.8°
C12	C11	H7	110.3°	110.9°
C11	C12	H11	110.9°	110.5°
C12	C14	C9	103.4°	106.6°
C12	C14	H8	111.0°	110.0°
C12	C14	H9	111.0°	110.1°
C14	C12	H11	110.7°	110.4°
C11	C10	C9	106.9°	104.2°
C11	C10	H4	110.1°	110.5°
C11	C10	H5	110.1°	110.6°
C10	C11	H6	110.3°	110.8°
C10	C11	H7	110.3°	110.7°
C14	C9	C10	105.8°	106.6°
C14	C9	N8	115.3°	110.0°
C9	C14	H8	111.0°	110.0°
C9	C14	H9	111.0°	110.0°
C14	C9	H10	109.5°	110.0°
C10	C9	N8	105.9°	110.1°
C9	C10	H4	110.1°	110.5°
C9	C10	H5	110.1°	110.4°
C10	C9	H10	109.8°	110.0°
C9	N8	C7	117.6°	120.0°
N8	C9	H10	110.3°	110.1°
C9	N8	H14	107.4°	120.0°
N8	C7	C6	121.7°	119.5°
N8	C7	N15	115.8°	119.5°
C7	N8	H14	107.4°	120.0°
C7	C6	C5	119.5°	119.4°
C6	C7	N15	122.5°	120.9°
C7	C6	H2	120.2°	120.3°
C6	C5	C4	118.4°	118.5°
C6	C5	H1	120.8°	120.8°
C5	C6	H2	120.3°	120.3°
C7	N15	C16	117.0°	121.6°
C5	C4	C16	118.7°	119.1°
C5	C4	C2	122.2°	120.5°
C4	C5	H1	120.8°	120.7°
N15	C16	C4	123.9°	120.5°
N15	C16	H3	118.1°	119.7°
C16	C4	C2	119.0°	120.5°
C4	C16	H3	118.0°	119.8°
C4	C2	O3	123.2°	120.0°
C4	C2	N1	112.8°	120.0°
O3	C2	N1	124.0°	120.0°
C2	N1	H12	120.0°	120.0°
C2	N1	H13	120.0°	120.0°
H4	C10	H5	109.5°	110.5°
H6	C11	H7	109.5°	110.6°
H8	C14	H9	109.5°	110.0°
H12	N1	H13	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C12	C11	C14	115.8°	118.8°
O13	C12	C11	H11	123.3°	122.6°
O13	C12	C14	H11	122.9°	122.6°
O13	C12	C11	C10	101.5°	156.6°
O13	C12	C14	C9	87.1°	142.3°
O13	C12	C11	H6	18.0°	85.0°
O13	C12	C11	H7	139.0°	38.3°
O13	C12	C14	H8	153.9°	23.1°
O13	C12	C14	H9	31.9°	98.3°
C11	C12	C14	H11	121.0°	118.7°
C12	C11	C10	H6	119.5°	118.4°
C12	C11	C10	H7	119.5°	118.5°
C11	C12	C14	C9	29.0°	23.6°
C12	C11	C10	C9	6.3°	37.9°
C12	C11	C10	H4	125.9°	156.6°
C12	C11	C10	H5	113.3°	80.8°
C12	C11	H6	H7	121.5°	123.5°
C11	C12	C14	H8	90.0°	95.7°
C11	C12	C14	H9	148.0°	142.9°
C11	C12	O13	H15	180.0°	61.4°
C14	C12	C11	C10	14.3°	37.9°
C12	C14	C9	H8	119.0°	119.2°
C12	C14	C9	H9	119.0°	119.4°
C12	C14	C9	C10	32.8°	0.0°
C12	C14	C9	N8	149.4°	119.3°
C14	C12	C11	H6	133.8°	156.2°
C14	C12	C11	H7	105.2°	80.5°
C12	C14	H8	H9	122.8°	121.5°
C12	C14	C9	H10	85.5°	119.2°
C14	C12	O13	H15	64.5°	176.2°
C11	C10	C9	C14	24.5°	23.6°
C11	C10	C9	H4	119.6°	118.7°
C11	C10	C9	H5	119.6°	118.8°
C11	C10	C9	N8	147.3°	142.9°
C11	C10	H4	H5	121.2°	122.7°
C10	C11	H6	H7	121.5°	123.2°
C11	C10	C9	H10	93.6°	95.7°
C10	C11	C12	H11	135.2°	80.7°
C14	C9	C10	N8	122.8°	119.3°
C14	C9	C10	H10	118.1°	119.3°
C14	C9	N8	H10	124.7°	121.4°
C14	C9	N8	C7	59.8°	156.4°
C14	C9	C10	H4	144.1°	142.3°
C14	C9	C10	H5	95.1°	95.2°
C9	C14	H8	H9	122.8°	121.4°
C9	C14	C12	H11	150.0°	95.1°
C14	C9	N8	H14	179.0°	23.6°
C10	C9	N8	H10	118.7°	121.4°
C10	C9	N8	C7	176.4°	86.4°
C9	C10	H4	H5	121.2°	122.5°
C9	C10	C11	H6	113.2°	156.3°
C9	C10	C11	H7	125.8°	80.6°
C10	C9	C14	H8	86.3°	119.3°
C10	C9	C14	H9	151.8°	119.4°
C10	C9	N8	H14	62.4°	93.5°
C9	N8	C7	H14	121.2°	179.9°
C9	N8	C7	C6	20.3°	0.0°
C9	N8	C7	N15	160.8°	180.0°
N8	C9	C10	H4	93.1°	98.4°
N8	C9	C10	H5	27.7°	24.1°
N8	C9	C14	H8	30.4°	121.4°
N8	C9	C14	H9	91.6°	0.1°
N8	C7	C6	N15	178.8°	180.0°
N8	C7	C6	C5	179.9°	180.0°
N8	C7	N15	C16	179.9°	179.7°
N8	C7	C6	H2	0.1°	0.1°
C7	N8	C9	H10	64.9°	35.0°
C7	C6	C5	H2	180.0°	179.9°
C7	C6	C5	C4	0.3°	0.0°
C6	C7	N15	C16	1.2°	0.4°
C7	C6	C5	H1	179.7°	179.8°
C6	C7	N8	H14	100.8°	180.0°
C5	C6	C7	N15	1.2°	0.0°
C6	C5	C4	H1	180.0°	179.8°
C6	C5	C4	C16	0.5°	0.3°
C6	C5	C4	C2	178.8°	179.7°
C7	N15	C16	C4	0.4°	0.6°
N15	C7	C6	H2	178.8°	180.0°
C7	N15	C16	H3	179.6°	180.0°
N15	C7	N8	H14	78.1°	0.0°
C5	C4	C16	N15	0.5°	0.6°
C5	C4	C16	C2	179.3°	180.0°
C5	C4	C2	O3	14.8°	0.0°
C5	C4	C2	N1	164.2°	180.0°
C4	C5	C6	H2	179.6°	179.9°
C5	C4	C16	H3	179.5°	179.9°
N15	C16	C4	H3	180.0°	179.3°
N15	C16	C4	C2	178.9°	179.4°
C16	C4	C2	O3	165.9°	180.0°
C16	C4	C2	N1	15.1°	0.1°
C16	C4	C5	H1	179.5°	180.0°
C4	C2	O3	N1	178.9°	179.9°
C2	C4	C5	H1	1.2°	0.1°
C2	C4	C16	H3	1.1°	0.0°
C4	C2	N1	H12	179.0°	0.1°
C4	C2	N1	H13	1.0°	180.0°
O3	C2	N1	H12	0.0°	180.0°
O3	C2	N1	H13	180.0°	0.1°
C2	N1	H12	H13	180.0°	179.9°
H1	C5	C6	H2	0.3°	0.3°
H4	C10	C11	H6	6.4°	85.0°
H4	C10	C11	H7	114.6°	38.1°
H4	C10	C9	H10	26.0°	23.0°
H5	C10	C11	H6	127.2°	37.6°
H5	C10	C11	H7	6.2°	160.7°
H5	C10	C9	H10	146.8°	145.6°
H6	C11	C12	H11	105.3°	37.6°
H7	C11	C12	H11	15.7°	160.9°
H8	C14	C9	H10	155.5°	0.0°
H8	C14	C12	H11	31.0°	145.6°
H9	C14	C9	H10	33.5°	121.4°
H9	C14	C12	H11	91.0°	24.2°
H10	C9	N8	H14	56.3°	145.1°
H11	C12	O13	H15	57.5°	61.2°

Release date:	2016-03-16
Definition date:	2012-04-10
Last modified:	2016-03-11
Release status:	REL
Processing site:	RCSB
Derived from:	4EFW