7EA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C12	sing	1.51Å	1.51Å
N16	C12	doub	1.31Å	1.31Å	Aromatic
N16	N15	sing	1.29Å	1.29Å	Aromatic
C12	N7	sing	1.35Å	1.33Å	Aromatic
N15	C11	doub	1.32Å	1.33Å	Aromatic
N7	C11	sing	1.37Å	1.38Å	Aromatic
N7	N3	sing	1.40Å	1.39Å	Aromatic
C11	C8	sing	1.41Å	1.41Å	Aromatic
N3	C1	doub	1.31Å	1.30Å	Aromatic
C8	C4	doub	1.36Å	1.38Å	Aromatic
C1	C4	sing	1.41Å	1.42Å	Aromatic
C1	C2	sing	1.48Å	1.48Å
C6	C2	doub	1.39Å	1.41Å	Aromatic
C6	C10	sing	1.38Å	1.39Å	Aromatic
C2	C5	sing	1.39Å	1.39Å	Aromatic
C10	C13	doub	1.39Å	1.40Å	Aromatic
C5	C9	doub	1.38Å	1.39Å	Aromatic
C13	C9	sing	1.39Å	1.40Å	Aromatic
C13	O18	sing	1.36Å	1.37Å
C20	O18	sing	1.43Å	1.44Å
C9	O14	sing	1.36Å	1.36Å
O14	C19	sing	1.43Å	1.43Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C20	H9	sing	1.09Å	1.10Å
C20	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
C19	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C12	N16	129.4°	126.1°
C17	C12	N7	123.3°	126.2°
C12	C17	H6	109.5°	109.5°
C12	C17	H7	109.4°	109.5°
C12	C17	H8	109.5°	109.4°
C12	N16	N15	110.5°	110.2°
N16	C12	N7	107.2°	107.6°
N16	N15	C11	109.1°	109.3°
C12	N7	C11	107.5°	106.0°
C12	N7	N3	129.9°	133.9°
N15	C11	N7	105.6°	106.8°
N15	C11	C8	136.4°	133.8°
C11	N7	N3	122.6°	120.1°
N7	C11	C8	118.0°	119.4°
N7	N3	C1	119.4°	120.5°
C11	C8	C4	118.5°	119.1°
C11	C8	H4	120.8°	120.5°
N3	C1	C4	121.0°	120.7°
N3	C1	C2	115.9°	119.6°
C8	C4	C1	120.4°	120.1°
C8	C4	H1	119.8°	119.9°
C4	C8	H4	120.7°	120.4°
C4	C1	C2	123.0°	119.6°
C1	C4	H1	119.8°	119.9°
C1	C2	C6	119.7°	120.0°
C1	C2	C5	120.0°	120.0°
C2	C6	C10	120.5°	120.0°
C6	C2	C5	120.2°	119.9°
C2	C6	H3	119.8°	120.0°
C6	C10	C13	119.0°	120.1°
C10	C6	H3	119.8°	120.0°
C6	C10	H5	120.5°	119.9°
C2	C5	C9	119.1°	119.8°
C2	C5	H2	120.4°	120.1°
C10	C13	C9	120.6°	120.1°
C10	C13	O18	121.9°	119.9°
C13	C10	H5	120.5°	120.0°
C5	C9	C13	120.5°	120.0°
C5	C9	O14	121.1°	119.9°
C9	C5	H2	120.5°	120.1°
C9	C13	O18	117.5°	119.9°
C13	C9	O14	118.3°	120.0°
C13	O18	C20	119.9°	117.0°
O18	C20	H9	109.5°	109.5°
O18	C20	H10	109.4°	109.5°
O18	C20	H11	109.5°	109.5°
C9	O14	C19	119.0°	117.0°
O14	C19	H12	109.5°	109.5°
O14	C19	H13	109.5°	109.5°
O14	C19	H14	109.5°	109.4°
H6	C17	H7	109.5°	109.5°
H6	C17	H8	109.5°	109.5°
H7	C17	H8	109.5°	109.5°
H9	C20	H10	109.5°	109.5°
H9	C20	H11	109.5°	109.4°
H10	C20	H11	109.5°	109.4°
H12	C19	H13	109.4°	109.5°
H12	C19	H14	109.5°	109.5°
H13	C19	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C12	N16	N7	179.5°	180.0°
C17	C12	N16	N15	179.4°	179.9°
C17	C12	N7	C11	179.7°	179.9°
C17	C12	N7	N3	0.9°	0.0°
C12	C17	H6	H7	120.0°	120.0°
C12	C17	H6	H8	120.0°	120.0°
C12	C17	H7	H8	120.0°	119.9°
C12	N16	N15	C11	1.6°	0.1°
N16	C12	N7	C11	0.1°	0.1°
N16	C12	N7	N3	178.7°	180.0°
N16	C12	C17	H6	0.0°	90.0°
N16	C12	C17	H7	120.0°	30.0°
N16	C12	C17	H8	120.0°	150.0°
N15	N16	C12	N7	1.0°	0.1°
N16	N15	C11	N7	1.4°	0.1°
N16	N15	C11	C8	179.8°	179.9°
C12	N7	C11	N15	0.8°	0.0°
C12	N7	C11	N3	178.9°	180.0°
C12	N7	C11	C8	179.5°	180.0°
C12	N7	N3	C1	178.4°	180.0°
N7	C12	C17	H6	179.5°	90.0°
N7	C12	C17	H7	60.5°	150.0°
N7	C12	C17	H8	59.5°	30.0°
N15	C11	N7	C8	178.7°	180.0°
N15	C11	N7	N3	179.7°	180.0°
N15	C11	C8	C4	177.1°	180.0°
N15	C11	C8	H4	2.8°	0.1°
C11	N7	N3	C1	3.0°	0.0°
N7	C11	C8	C4	1.0°	0.1°
N7	C11	C8	H4	179.0°	180.0°
N3	N7	C11	C8	1.6°	0.0°
N7	N3	C1	C4	1.7°	0.1°
N7	N3	C1	C2	178.9°	180.0°
C11	C8	C4	H4	180.0°	179.9°
C11	C8	C4	C1	2.3°	0.0°
C11	C8	C4	H1	177.7°	179.9°
N3	C1	C4	C8	0.9°	0.1°
N3	C1	C4	C2	177.0°	179.9°
N3	C1	C2	C6	23.6°	179.9°
N3	C1	C2	C5	156.9°	0.0°
N3	C1	C4	H1	179.0°	180.0°
C8	C4	C1	H1	180.0°	179.9°
C8	C4	C1	C2	176.1°	180.0°
C4	C1	C2	C6	153.5°	0.0°
C4	C1	C2	C5	26.0°	180.0°
C1	C4	C8	H4	177.7°	179.9°
C1	C2	C6	C5	179.5°	180.0°
C1	C2	C6	C10	178.8°	180.0°
C1	C2	C5	C9	178.7°	180.0°
C2	C1	C4	H1	4.0°	0.1°
C1	C2	C5	H2	1.3°	0.3°
C1	C2	C6	H3	1.2°	0.0°
C2	C6	C10	H3	180.0°	180.0°
C2	C6	C10	C13	0.1°	0.3°
C6	C2	C5	C9	0.8°	0.0°
C6	C2	C5	H2	179.2°	179.8°
C2	C6	C10	H5	179.8°	180.0°
C10	C6	C2	C5	0.8°	0.0°
C6	C10	C13	H5	180.0°	179.7°
C6	C10	C13	C9	0.4°	0.6°
C6	C10	C13	O18	179.7°	180.0°
C2	C5	C9	H2	180.0°	179.8°
C2	C5	C9	C13	0.3°	0.2°
C2	C5	C9	O14	178.4°	179.7°
C5	C2	C6	H3	179.2°	180.0°
C10	C13	C9	C5	0.4°	0.5°
C10	C13	C9	O18	179.8°	179.5°
C10	C13	O18	C20	3.5°	0.0°
C10	C13	C9	O14	179.0°	179.4°
C13	C10	C6	H3	179.9°	179.7°
C5	C9	C13	O14	178.7°	179.9°
C5	C9	C13	O18	179.8°	180.0°
C5	C9	O14	C19	0.2°	0.0°
C9	C13	O18	C20	176.3°	179.5°
C13	C9	O14	C19	178.4°	180.0°
C13	C9	C5	H2	179.8°	180.0°
C9	C13	C10	H5	179.6°	179.7°
O18	C13	C9	O14	1.1°	0.1°
O18	C13	C10	H5	0.2°	0.3°
C13	O18	C20	H9	180.0°	60.1°
C13	O18	C20	H10	60.0°	60.0°
C13	O18	C20	H11	60.0°	180.0°
O18	C20	H9	H10	120.0°	120.1°
O18	C20	H9	H11	120.0°	120.0°
O18	C20	H10	H11	120.0°	120.0°
O14	C9	C5	H2	1.6°	0.1°
C9	O14	C19	H12	180.0°	180.0°
C9	O14	C19	H13	60.0°	60.0°
C9	O14	C19	H14	60.0°	60.0°
O14	C19	H12	H13	120.0°	120.0°
O14	C19	H12	H14	120.0°	120.0°
O14	C19	H13	H14	120.0°	120.0°
H1	C4	C8	H4	2.3°	0.0°
H3	C6	C10	H5	0.2°	0.0°
H6	C17	H7	H8	120.0°	120.0°
H9	C20	H10	H11	120.0°	119.9°
H12	C19	H13	H14	120.0°	120.1°

Release date:	2017-09-27
Definition date:	2016-10-14
Last modified:	2017-09-22
Release status:	REL
Processing site:	EBI
Derived from:	5M39