7WD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N20	C19	sing	1.38Å	1.36Å
N18	C19	doub	1.32Å	1.34Å	Aromatic
N18	C17	sing	1.35Å	1.36Å	Aromatic
C19	N15	sing	1.35Å	1.34Å	Aromatic
C17	C14	doub	1.34Å	1.40Å	Aromatic
N15	C14	sing	1.38Å	1.34Å	Aromatic
N15	C16	sing	1.46Å	1.47Å
C14	C13	sing	1.51Å	1.51Å
C16	C11	sing	1.53Å	1.54Å
C13	C12	sing	1.54Å	1.54Å
C11	C12	sing	1.53Å	1.54Å
C11	C10	sing	1.53Å	1.54Å
C4	C5	doub	1.38Å	1.41Å	Aromatic
C4	C3	sing	1.38Å	1.40Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C3	C10	sing	1.51Å	1.53Å
C3	C2	doub	1.38Å	1.39Å	Aromatic
C6	C1	doub	1.38Å	1.40Å	Aromatic
C2	C1	sing	1.39Å	1.38Å	Aromatic
C2	O9	sing	1.36Å	1.36Å
C1	O7	sing	1.37Å	1.36Å
O9	C8	sing	1.44Å	1.45Å
O7	C8	sing	1.44Å	1.45Å
C11	H1	sing	1.09Å	1.10Å
C12	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C16	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.08Å	1.08Å
C4	H9	sing	1.08Å	1.08Å
C5	H10	sing	1.08Å	1.08Å
C6	H11	sing	1.08Å	1.08Å
C8	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
N20	H15	sing	0.97Å	1.00Å
N20	H16	sing	0.97Å	1.00Å
C8	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N20	C19	N18	121.3°	125.9°
N20	C19	N15	123.4°	125.9°
C19	N20	H15	109.5°	120.0°
C19	N20	H16	109.4°	120.0°
C19	N18	C17	103.3°	109.3°
N18	C19	N15	115.1°	108.2°
N18	C17	C14	108.7°	108.1°
N18	C17	H8	125.7°	126.0°
C19	N15	C14	104.3°	107.1°
C19	N15	C16	129.9°	128.6°
C17	C14	N15	108.6°	107.2°
C17	C14	C13	127.6°	128.7°
C14	C17	H8	125.6°	125.9°
C14	N15	C16	125.7°	124.3°
N15	C14	C13	123.9°	124.1°
N15	C16	C11	111.3°	108.7°
N15	C16	H6	109.0°	109.7°
N15	C16	H7	109.0°	109.7°
C14	C13	C12	110.5°	108.0°
C14	C13	H4	109.2°	109.8°
C14	C13	H5	109.2°	109.8°
C16	C11	C12	112.0°	109.7°
C16	C11	C10	112.6°	109.4°
C16	C11	H1	106.6°	109.3°
C11	C16	H6	109.0°	109.6°
C11	C16	H7	109.0°	109.6°
C13	C12	C11	113.2°	109.4°
C13	C12	H2	108.5°	109.5°
C13	C12	H3	108.5°	109.5°
C12	C13	H4	109.2°	109.7°
C12	C13	H5	109.2°	109.7°
C12	C11	C10	112.1°	109.4°
C12	C11	H1	106.6°	109.4°
C11	C12	H2	108.5°	109.5°
C11	C12	H3	108.5°	109.5°
C11	C10	C3	118.2°	109.5°
C10	C11	H1	106.5°	109.5°
C11	C10	H13	107.3°	109.5°
C11	C10	H14	107.2°	109.4°
C5	C4	C3	121.6°	120.1°
C4	C5	C6	121.3°	120.1°
C5	C4	H9	119.2°	119.9°
C4	C5	H10	119.3°	119.9°
C4	C3	C10	121.8°	120.0°
C4	C3	C2	116.2°	120.0°
C3	C4	H9	119.2°	119.9°
C5	C6	C1	115.9°	120.0°
C6	C5	H10	119.3°	119.9°
C5	C6	H11	122.0°	120.0°
C10	C3	C2	121.8°	120.0°
C3	C10	H13	107.2°	109.5°
C3	C10	H14	107.2°	109.5°
C3	C2	C1	122.2°	119.8°
C3	C2	O9	128.5°	131.6°
C6	C1	C2	122.5°	119.9°
C6	C1	O7	128.0°	131.5°
C1	C6	H11	122.1°	120.0°
C1	C2	O9	109.0°	108.7°
C2	C1	O7	109.4°	108.6°
C2	O9	C8	108.8°	105.5°
C1	O7	C8	108.6°	105.5°
O9	C8	O7	103.9°	103.7°
O9	C8	H12	110.8°	110.5°
O9	C8	H17	110.8°	110.7°
O7	C8	H12	110.8°	110.5°
O7	C8	H17	110.9°	110.6°
H2	C12	H3	109.5°	109.5°
H4	C13	H5	109.5°	109.8°
H6	C16	H7	109.5°	109.6°
H12	C8	H17	109.5°	110.5°
H13	C10	H14	109.5°	109.4°
H15	N20	H16	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N20	C19	N18	N15	175.7°	180.0°
N20	C19	N18	C17	177.7°	179.9°
N20	C19	N15	C14	177.0°	179.9°
N20	C19	N15	C16	1.1°	0.3°
C19	N20	H15	H16	120.0°	180.0°
C19	N18	C17	C14	1.7°	0.0°
N18	C19	N15	C14	1.4°	0.1°
N18	C19	N15	C16	176.6°	179.7°
C19	N18	C17	H8	178.3°	179.9°
N18	C19	N20	H15	0.0°	180.0°
N18	C19	N20	H16	120.0°	0.0°
C17	N18	C19	N15	2.0°	0.1°
N18	C17	C14	H8	180.0°	180.0°
N18	C17	C14	N15	1.0°	0.0°
N18	C17	C14	C13	178.2°	180.0°
C19	N15	C14	C17	0.2°	0.1°
C19	N15	C14	C16	178.2°	179.8°
C19	N15	C14	C13	179.4°	179.9°
C19	N15	C16	C11	166.8°	162.6°
C19	N15	C16	H6	73.0°	42.8°
C19	N15	C16	H7	46.5°	77.6°
N15	C19	N20	H15	175.3°	0.0°
N15	C19	N20	H16	64.7°	180.0°
C17	C14	N15	C13	179.2°	180.0°
C17	C14	N15	C16	177.9°	179.7°
C17	C14	C13	C12	165.2°	164.2°
C17	C14	C13	H4	74.6°	44.7°
C17	C14	C13	H5	45.1°	76.1°
C14	N15	C16	C11	15.6°	17.1°
N15	C14	C13	C12	13.8°	15.8°
N15	C14	C13	H4	106.3°	135.3°
N15	C14	C13	H5	133.9°	103.9°
C14	N15	C16	H6	104.7°	137.0°
C14	N15	C16	H7	135.8°	102.6°
N15	C14	C17	H8	179.0°	180.0°
C16	N15	C14	C13	1.2°	0.3°
N15	C16	C11	H6	120.2°	119.8°
N15	C16	C11	H7	120.3°	119.8°
N15	C16	C11	C12	42.1°	50.8°
N15	C16	C11	C10	169.5°	170.9°
N15	C16	C11	H1	74.1°	69.3°
N15	C16	H6	H7	119.2°	120.5°
C14	C13	C12	H4	120.2°	119.6°
C14	C13	C12	H5	120.2°	119.7°
C14	C13	C12	C11	40.9°	48.9°
C14	C13	C12	H2	161.4°	71.2°
C14	C13	C12	H3	79.7°	168.9°
C14	C13	H4	H5	119.5°	120.8°
C13	C14	C17	H8	1.8°	0.0°
C16	C11	C12	C13	57.0°	70.1°
C16	C11	C12	C10	127.7°	120.1°
C16	C11	C12	H1	116.2°	120.0°
C16	C11	C10	H1	116.4°	119.8°
C16	C11	C10	C3	60.6°	64.7°
C16	C11	C12	H2	177.6°	49.8°
C16	C11	C12	H3	63.5°	169.9°
C11	C16	H6	H7	119.2°	120.3°
C16	C11	C10	H13	60.6°	55.3°
C16	C11	C10	H14	178.1°	175.3°
C13	C12	C11	H2	120.6°	120.0°
C13	C12	C11	H3	120.5°	120.0°
C13	C12	C11	C10	175.3°	169.8°
C13	C12	C11	H1	59.1°	49.8°
C13	C12	H2	H3	118.3°	120.0°
C12	C13	H4	H5	119.5°	120.7°
C12	C11	C10	H1	116.2°	119.9°
C12	C11	C10	C3	66.8°	175.0°
C11	C12	H2	H3	118.3°	120.1°
C11	C12	C13	H4	79.3°	168.5°
C11	C12	C13	H5	161.0°	70.8°
C12	C11	C16	H6	78.2°	170.6°
C12	C11	C16	H7	162.3°	69.1°
C12	C11	C10	H13	172.0°	64.9°
C12	C11	C10	H14	54.5°	55.0°
C11	C10	C3	C4	83.5°	95.0°
C11	C10	C3	H13	121.2°	120.0°
C11	C10	C3	H14	121.3°	120.0°
C11	C10	C3	C2	101.4°	85.0°
C10	C11	C12	H2	54.7°	70.3°
C10	C11	C12	H3	64.2°	49.8°
C10	C11	C16	H6	49.2°	69.3°
C10	C11	C16	H7	70.2°	51.0°
C11	C10	H13	H14	116.1°	119.9°
C5	C4	C3	H9	180.0°	179.7°
C4	C5	C6	H10	180.0°	179.8°
C5	C4	C3	C10	179.1°	180.0°
C5	C4	C3	C2	3.8°	0.0°
C4	C5	C6	C1	1.8°	0.5°
C4	C5	C6	H11	178.2°	180.0°
C3	C4	C5	C6	1.0°	0.2°
C4	C3	C10	C2	175.1°	180.0°
C4	C3	C2	C1	3.8°	0.0°
C4	C3	C2	O9	177.4°	180.0°
C3	C4	C5	H10	179.0°	179.9°
C4	C3	C10	H13	37.7°	25.0°
C4	C3	C10	H14	155.2°	145.0°
C5	C6	C1	H11	180.0°	179.5°
C5	C6	C1	C2	1.8°	0.5°
C5	C6	C1	O7	178.9°	179.8°
C6	C5	C4	H9	179.0°	180.0°
C10	C3	C2	C1	179.1°	180.0°
C10	C3	C2	O9	7.2°	0.1°
C3	C10	C11	H1	177.0°	55.1°
C10	C3	C4	H9	0.9°	0.3°
C3	C10	H13	H14	116.0°	120.0°
C3	C2	C1	C6	1.0°	0.3°
C3	C2	C1	O9	174.7°	179.9°
C3	C2	C1	O7	176.5°	180.0°
C3	C2	O9	C8	179.0°	162.7°
C2	C3	C4	H9	176.2°	179.7°
C2	C3	C10	H13	137.3°	155.0°
C2	C3	C10	H14	19.8°	35.0°
C6	C1	C2	O7	177.5°	179.8°
C6	C1	C2	O9	175.8°	179.8°
C6	C1	O7	C8	179.2°	163.0°
C1	C6	C5	H10	178.2°	179.7°
C1	C2	O9	C8	4.7°	17.2°
C2	C1	O7	C8	1.9°	17.3°
C2	C1	C6	H11	178.2°	180.0°
O9	C2	C1	O7	1.7°	0.0°
C2	O9	C8	O7	5.6°	27.1°
C2	O9	C8	H12	113.5°	91.4°
C2	O9	C8	H17	124.7°	145.7°
C1	O7	C8	O9	4.5°	27.1°
O7	C1	C6	H11	1.1°	0.3°
C1	O7	C8	H12	114.6°	91.4°
C1	O7	C8	H17	123.6°	145.8°
O9	C8	O7	H12	119.1°	118.5°
O9	C8	O7	H17	119.1°	118.8°
O9	C8	H12	H17	122.5°	123.0°
O7	C8	H12	H17	122.6°	122.8°
H1	C11	C12	H2	61.4°	169.8°
H1	C11	C12	H3	179.7°	70.1°
H1	C11	C16	H6	165.6°	50.6°
H1	C11	C16	H7	46.2°	170.9°
H1	C11	C10	H13	55.8°	175.1°
H1	C11	C10	H14	61.7°	64.9°
H2	C12	C13	H4	41.3°	48.5°
H2	C12	C13	H5	78.4°	169.2°
H3	C12	C13	H4	160.2°	71.5°
H3	C12	C13	H5	40.5°	49.2°
H9	C4	C5	H10	1.0°	0.2°
H10	C5	C6	H11	1.8°	0.2°

Release date:	2017-01-11
Definition date:	2016-12-08
Last modified:	2017-01-06
Release status:	REL
Processing site:	RCSB
Derived from:	5U62