8NP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C16	sing	1.51Å	1.48Å
O20	C17	doub	1.22Å	1.22Å
C16	C17	sing	1.41Å	1.48Å
C16	C13	doub	1.36Å	1.34Å
C17	N19	sing	1.35Å	1.38Å
C13	C15	sing	1.41Å	1.44Å
N19	C14	sing	1.36Å	1.37Å
C6	C2	doub	1.38Å	1.38Å	Aromatic
C6	C10	sing	1.39Å	1.38Å	Aromatic
C15	C14	doub	1.37Å	1.34Å
C15	C10	sing	1.48Å	1.47Å
C2	C5	sing	1.38Å	1.38Å	Aromatic
C10	C12	doub	1.40Å	1.39Å	Aromatic
C5	C9	doub	1.38Å	1.38Å	Aromatic
C12	C9	sing	1.39Å	1.38Å	Aromatic
C12	O21	sing	1.36Å	1.39Å
O21	C11	sing	1.36Å	1.40Å
C11	C7	doub	1.39Å	1.38Å	Aromatic
C11	C8	sing	1.39Å	1.38Å	Aromatic
C7	C3	sing	1.38Å	1.38Å	Aromatic
C8	C4	doub	1.38Å	1.38Å	Aromatic
C3	C1	doub	1.38Å	1.38Å	Aromatic
C4	C1	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C18	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
C18	H15	sing	1.09Å	1.10Å
N19	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C16	C17	118.4°	120.3°
C18	C16	C13	123.3°	120.3°
C16	C18	H13	109.5°	109.5°
C16	C18	H14	109.4°	109.5°
C16	C18	H15	109.5°	109.5°
O20	C17	C16	122.2°	119.9°
O20	C17	N19	123.2°	119.9°
C17	C16	C13	118.3°	119.5°
C16	C17	N19	114.6°	120.2°
C16	C13	C15	124.0°	119.2°
C16	C13	H6	118.0°	120.4°
C17	N19	C14	125.2°	120.9°
C17	N19	H12	117.4°	119.5°
C13	C15	C14	116.9°	119.8°
C13	C15	C10	124.1°	120.2°
C15	C13	H6	118.0°	120.4°
N19	C14	C15	121.0°	120.5°
N19	C14	H11	119.5°	119.7°
C14	N19	H12	117.4°	119.6°
C2	C6	C10	121.3°	120.0°
C6	C2	C5	120.0°	120.2°
C2	C6	H3	119.4°	120.0°
C6	C2	H8	120.0°	119.9°
C6	C10	C15	117.0°	120.2°
C6	C10	C12	117.9°	119.7°
C10	C6	H3	119.3°	120.0°
C14	C15	C10	118.9°	120.1°
C15	C14	H11	119.5°	119.8°
C15	C10	C12	125.1°	120.1°
C2	C5	C9	119.8°	120.3°
C2	C5	H2	120.1°	119.8°
C5	C2	H8	120.0°	119.9°
C10	C12	C9	121.4°	119.8°
C10	C12	O21	121.4°	120.1°
C5	C9	C12	119.7°	120.1°
C9	C5	H2	120.1°	119.9°
C5	C9	H10	120.2°	119.9°
C9	C12	O21	117.1°	120.1°
C12	C9	H10	120.2°	120.0°
C12	O21	C11	118.3°	118.0°
O21	C11	C7	123.6°	120.0°
O21	C11	C8	116.4°	120.1°
C7	C11	C8	120.0°	119.9°
C11	C7	C3	119.9°	119.9°
C11	C7	H4	120.1°	120.1°
C11	C8	C4	120.0°	120.0°
C11	C8	H5	120.0°	120.0°
C7	C3	C1	120.2°	120.0°
C3	C7	H4	120.1°	120.0°
C7	C3	H9	119.9°	120.0°
C8	C4	C1	120.0°	120.0°
C8	C4	H1	120.0°	120.0°
C4	C8	H5	120.0°	120.0°
C3	C1	C4	119.9°	120.2°
C3	C1	H7	120.1°	119.9°
C1	C3	H9	119.9°	120.0°
C1	C4	H1	120.0°	120.0°
C4	C1	H7	120.1°	120.0°
H13	C18	H14	109.5°	109.4°
H13	C18	H15	109.5°	109.5°
H14	C18	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C16	C17	O20	0.3°	0.8°
C18	C16	C17	C13	179.9°	179.5°
C18	C16	C17	N19	179.9°	180.0°
C18	C16	C13	C15	179.9°	179.4°
C18	C16	C13	H6	0.1°	0.2°
C16	C18	H13	H14	120.0°	120.0°
C16	C18	H13	H15	120.0°	120.0°
C16	C18	H14	H15	120.0°	120.0°
O20	C17	C16	N19	179.6°	179.2°
O20	C17	C16	C13	179.8°	179.7°
O20	C17	N19	C14	178.7°	180.0°
O20	C17	N19	H12	1.3°	0.8°
C17	C16	C13	C15	0.3°	0.1°
C16	C17	N19	C14	1.0°	0.8°
C17	C16	C13	H6	179.7°	179.7°
C17	C16	C18	H13	180.0°	0.0°
C17	C16	C18	H14	60.0°	120.0°
C17	C16	C18	H15	60.0°	120.0°
C16	C17	N19	H12	179.0°	180.0°
C13	C16	C17	N19	0.2°	0.5°
C16	C13	C15	H6	180.0°	179.6°
C16	C13	C15	C14	0.8°	0.4°
C16	C13	C15	C10	176.5°	179.7°
C13	C16	C18	H13	0.2°	179.5°
C13	C16	C18	H14	120.2°	59.5°
C13	C16	C18	H15	119.9°	60.5°
C17	N19	C14	H12	180.0°	179.2°
C17	N19	C14	C15	2.1°	0.6°
C17	N19	C14	H11	177.9°	179.4°
C13	C15	C14	N19	1.9°	0.0°
C13	C15	C10	C6	37.1°	75.0°
C13	C15	C14	C10	175.9°	179.9°
C13	C15	C10	C12	144.5°	105.9°
C13	C15	C14	H11	178.1°	180.0°
N19	C14	C15	H11	180.0°	180.0°
N19	C14	C15	C10	177.8°	180.0°
C2	C6	C10	H3	180.0°	179.4°
C2	C6	C10	C15	177.0°	180.0°
C6	C2	C5	H8	180.0°	179.9°
C2	C6	C10	C12	1.5°	0.8°
C6	C2	C5	C9	1.3°	0.0°
C6	C2	C5	H2	178.7°	179.7°
C6	C10	C15	C14	138.5°	104.9°
C6	C10	C15	C12	178.4°	179.1°
C10	C6	C2	C5	0.0°	0.5°
C6	C10	C12	C9	1.8°	0.6°
C6	C10	C12	O21	179.2°	180.0°
C10	C6	C2	H8	180.0°	179.4°
C14	C15	C10	C12	39.9°	74.2°
C14	C15	C13	H6	179.2°	180.0°
C15	C14	N19	H12	177.9°	179.7°
C15	C10	C12	C9	176.5°	179.7°
C15	C10	C12	O21	0.8°	0.8°
C15	C10	C6	H3	3.0°	0.6°
C10	C15	C13	H6	3.5°	0.1°
C10	C15	C14	H11	2.2°	0.1°
C2	C5	C9	H2	180.0°	179.7°
C2	C5	C9	C12	1.0°	0.3°
C5	C2	C6	H3	180.0°	180.0°
C2	C5	C9	H10	179.0°	179.6°
C10	C12	C9	C5	0.6°	0.0°
C10	C12	C9	O21	177.5°	179.4°
C10	C12	O21	C11	101.1°	173.3°
C12	C10	C6	H3	178.5°	179.7°
C10	C12	C9	H10	179.5°	179.9°
C5	C9	C12	H10	180.0°	179.9°
C5	C9	C12	O21	178.0°	179.5°
C9	C5	C2	H8	178.7°	179.9°
C9	C12	O21	C11	81.4°	6.2°
C12	C9	C5	H2	179.0°	180.0°
C12	O21	C11	C7	10.9°	112.3°
C12	O21	C11	C8	169.7°	68.4°
O21	C12	C9	H10	2.0°	0.6°
O21	C11	C7	C8	179.4°	179.3°
O21	C11	C7	C3	179.9°	180.0°
O21	C11	C8	C4	179.7°	179.8°
O21	C11	C7	H4	0.1°	0.5°
O21	C11	C8	H5	0.3°	0.2°
C11	C7	C3	H4	180.0°	179.5°
C7	C11	C8	C4	0.3°	0.5°
C11	C7	C3	C1	0.5°	0.5°
C7	C11	C8	H5	179.7°	179.5°
C11	C7	C3	H9	179.6°	180.0°
C8	C11	C7	C3	0.5°	0.7°
C11	C8	C4	H5	180.0°	180.0°
C11	C8	C4	C1	0.0°	0.0°
C11	C8	C4	H1	180.0°	179.8°
C8	C11	C7	H4	179.5°	179.8°
C7	C3	C1	H9	180.0°	179.5°
C7	C3	C1	C4	0.2°	0.0°
C7	C3	C1	H7	179.8°	180.0°
C8	C4	C1	C3	0.0°	0.2°
C8	C4	C1	H1	180.0°	179.8°
C8	C4	C1	H7	179.9°	179.8°
C3	C1	C4	H7	180.0°	180.0°
C3	C1	C4	H1	180.0°	180.0°
C1	C3	C7	H4	179.6°	180.0°
C1	C4	C8	H5	180.0°	180.0°
C4	C1	C3	H9	179.8°	179.5°
H1	C4	C8	H5	0.0°	0.2°
H1	C4	C1	H7	0.0°	0.0°
H2	C5	C2	H8	1.3°	0.4°
H2	C5	C9	H10	1.0°	0.1°
H3	C6	C2	H8	0.0°	0.0°
H4	C7	C3	H9	0.4°	0.5°
H7	C1	C3	H9	0.2°	0.5°
H11	C14	N19	H12	2.1°	0.3°
H13	C18	H14	H15	120.0°	120.0°

Release date:	2017-06-14
Definition date:	2017-02-22
Last modified:	2017-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	5UVZ