1OX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C10	doub	1.35Å	1.38Å
C12	N20	sing	1.36Å	1.34Å
C10	C8	sing	1.40Å	1.38Å
O21	C15	doub	1.22Å	1.23Å
C15	N20	sing	1.35Å	1.43Å
C15	C11	sing	1.40Å	1.48Å
N20	C14	sing	1.37Å	1.34Å
C8	C9	doub	1.36Å	1.38Å
C11	C13	doub	1.38Å	1.34Å
C14	C9	sing	1.41Å	1.38Å
C14	N18	doub	1.33Å	1.40Å
C13	N18	sing	1.32Å	1.37Å
C13	C16	sing	1.51Å	1.48Å
C16	N19	sing	1.47Å	1.45Å
C4	C7	doub	1.39Å	1.38Å	Aromatic
C4	C2	sing	1.38Å	1.38Å	Aromatic
N19	C7	sing	1.38Å	1.37Å	Aromatic
N19	C5	sing	1.36Å	1.36Å	Aromatic
C7	C6	sing	1.41Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.38Å	Aromatic
C5	N17	doub	1.30Å	1.32Å	Aromatic
C6	N17	sing	1.36Å	1.37Å	Aromatic
C6	C3	doub	1.40Å	1.39Å	Aromatic
C1	C3	sing	1.37Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C12	N20	120.5°	120.7°
C12	C10	C8	119.3°	120.2°
C12	C10	H8	120.4°	119.9°
C10	C12	H11	119.8°	119.7°
C12	N20	C15	119.2°	119.6°
C12	N20	C14	121.0°	120.5°
N20	C12	H11	119.7°	119.7°
C10	C8	C9	119.6°	119.6°
C10	C8	H6	120.2°	120.2°
C8	C10	H8	120.3°	119.9°
O21	C15	N20	118.2°	120.5°
O21	C15	C11	121.2°	120.6°
N20	C15	C11	120.6°	118.9°
C15	N20	C14	119.7°	119.9°
C15	C11	C13	114.2°	119.0°
C15	C11	H9	122.9°	120.5°
N20	C14	C9	120.8°	119.6°
N20	C14	N18	120.4°	120.9°
C8	C9	C14	118.8°	119.5°
C9	C8	H6	120.2°	120.2°
C8	C9	H7	120.6°	120.3°
C11	C13	N18	125.7°	120.0°
C11	C13	C16	120.2°	120.0°
C13	C11	H9	122.9°	120.6°
C9	C14	N18	118.8°	119.5°
C14	C9	H7	120.6°	120.3°
C14	N18	C13	119.5°	121.4°
N18	C13	C16	114.1°	120.0°
C13	C16	N19	106.2°	109.5°
C13	C16	H12	110.3°	109.4°
C13	C16	H13	110.3°	109.5°
C16	N19	C7	127.0°	126.3°
C16	N19	C5	124.4°	126.4°
N19	C16	H12	110.3°	109.5°
N19	C16	H13	110.3°	109.5°
C7	C4	C2	114.5°	119.7°
C4	C7	N19	132.2°	134.1°
C4	C7	C6	123.8°	119.8°
C7	C4	H4	122.8°	120.2°
C4	C2	C1	122.6°	120.4°
C4	C2	H2	118.7°	119.8°
C2	C4	H4	122.8°	120.1°
C7	N19	C5	108.6°	107.3°
N19	C7	C6	104.0°	106.0°
N19	C5	N17	111.1°	110.1°
N19	C5	H5	124.4°	125.0°
C7	C6	N17	110.8°	106.9°
C7	C6	C3	120.6°	119.5°
C2	C1	C3	122.5°	120.7°
C2	C1	H1	118.8°	119.7°
C1	C2	H2	118.7°	119.8°
C5	N17	C6	105.5°	109.7°
N17	C5	H5	124.4°	125.0°
N17	C6	C3	128.5°	133.6°
C6	C3	C1	115.9°	119.9°
C6	C3	H3	122.0°	120.1°
C3	C1	H1	118.7°	119.6°
C1	C3	H3	122.1°	120.0°
H12	C16	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C12	N20	H11	180.0°	179.9°
C12	C10	C8	H8	180.0°	180.0°
C10	C12	N20	C15	179.7°	180.0°
C10	C12	N20	C14	0.8°	0.3°
C12	C10	C8	C9	0.6°	0.1°
C12	C10	C8	H6	179.4°	179.8°
N20	C12	C10	C8	0.2°	0.1°
C12	N20	C15	O21	1.5°	0.0°
C12	N20	C15	C14	178.9°	179.7°
C12	N20	C15	C11	179.4°	179.2°
C12	N20	C14	C9	1.2°	0.6°
C12	N20	C14	N18	179.6°	180.0°
N20	C12	C10	H8	179.9°	180.0°
C10	C8	C9	H6	180.0°	179.7°
C10	C8	C9	C14	0.2°	0.3°
C10	C8	C9	H7	179.8°	179.7°
C8	C10	C12	H11	179.8°	180.0°
O21	C15	N20	C11	179.1°	179.3°
O21	C15	N20	C14	177.4°	179.7°
O21	C15	C11	C13	177.8°	179.7°
O21	C15	C11	H9	2.2°	0.5°
N20	C15	C11	C13	1.3°	1.0°
C15	N20	C14	C9	179.9°	179.8°
C15	N20	C14	N18	0.7°	0.3°
N20	C15	C11	H9	178.7°	179.8°
C15	N20	C12	H11	0.3°	0.1°
C11	C15	N20	C14	1.7°	0.5°
C15	C11	C13	H9	180.0°	179.2°
C15	C11	C13	N18	0.1°	0.8°
C15	C11	C13	C16	178.3°	179.9°
N20	C14	C9	C8	0.7°	0.5°
N20	C14	C9	N18	179.2°	179.5°
N20	C14	N18	C13	0.5°	0.5°
N20	C14	C9	H7	179.3°	179.5°
C14	N20	C12	H11	179.2°	179.8°
C8	C9	C14	H7	180.0°	180.0°
C8	C9	C14	N18	179.9°	180.0°
C9	C8	C10	H8	179.4°	180.0°
C11	C13	N18	C14	0.9°	0.0°
C11	C13	N18	C16	178.5°	179.2°
C11	C13	C16	N19	98.6°	95.0°
C11	C13	C16	H12	20.9°	145.0°
C11	C13	C16	H13	142.0°	25.0°
C9	C14	N18	C13	178.7°	180.0°
C14	C9	C8	H6	179.8°	180.0°
C14	N18	C13	C16	179.3°	179.2°
N18	C14	C9	H7	0.1°	0.0°
N18	C13	C16	N19	80.0°	84.2°
N18	C13	C11	H9	179.9°	180.0°
N18	C13	C16	H12	160.6°	35.9°
N18	C13	C16	H13	39.5°	155.8°
C13	C16	N19	H12	119.5°	120.0°
C13	C16	N19	H13	119.5°	120.0°
C13	C16	N19	C7	73.2°	84.9°
C13	C16	N19	C5	105.0°	95.7°
C16	C13	C11	H9	1.7°	0.8°
C13	C16	H12	H13	121.6°	120.0°
C16	N19	C7	C4	2.1°	0.1°
C16	N19	C7	C5	178.4°	179.4°
C16	N19	C7	C6	178.5°	179.7°
C16	N19	C5	N17	178.5°	179.9°
C16	N19	C5	H5	1.5°	0.7°
N19	C16	H12	H13	121.5°	120.0°
C7	C4	C2	H4	180.0°	179.8°
C4	C7	N19	C6	179.4°	179.7°
C4	C7	N19	C5	179.5°	179.4°
C7	C4	C2	C1	1.7°	0.0°
C4	C7	C6	N17	179.6°	179.9°
C4	C7	C6	C3	0.3°	0.6°
C7	C4	C2	H2	178.3°	180.0°
C2	C4	C7	N19	179.3°	179.9°
C2	C4	C7	C6	1.4°	0.3°
C4	C2	C1	H2	180.0°	180.0°
C4	C2	C1	C3	0.9°	0.0°
C4	C2	C1	H1	179.0°	179.7°
C7	N19	C5	N17	0.0°	0.7°
N19	C7	C6	N17	0.1°	0.1°
N19	C7	C6	C3	179.7°	179.7°
N19	C7	C4	H4	0.7°	0.3°
C7	N19	C5	H5	180.0°	179.9°
C7	N19	C16	H12	46.3°	35.0°
C7	N19	C16	H13	167.3°	155.0°
C5	N19	C7	C6	0.1°	0.3°
N19	C5	N17	H5	180.0°	179.3°
N19	C5	N17	C6	0.1°	0.7°
C5	N19	C16	H12	135.5°	144.3°
C5	N19	C16	H13	14.5°	24.3°
C7	C6	N17	C5	0.1°	0.5°
C7	C6	N17	C3	179.8°	179.5°
C7	C6	C3	C1	0.6°	0.6°
C7	C6	C3	H3	179.4°	179.4°
C6	C7	C4	H4	178.6°	179.9°
C2	C1	C3	C6	0.3°	0.3°
C2	C1	C3	H1	180.0°	179.7°
C2	C1	C3	H3	179.7°	179.7°
C1	C2	C4	H4	178.3°	179.8°
C5	N17	C6	C3	179.7°	180.0°
N17	C6	C3	C1	179.6°	180.0°
N17	C6	C3	H3	0.4°	0.0°
C6	N17	C5	H5	179.9°	180.0°
C6	C3	C1	H3	180.0°	180.0°
C6	C3	C1	H1	179.7°	180.0°
C3	C1	C2	H2	179.1°	180.0°
H1	C1	C2	H2	1.0°	0.3°
H1	C1	C3	H3	0.2°	0.0°
H2	C2	C4	H4	1.7°	0.2°
H6	C8	C9	H7	0.2°	0.0°
H6	C8	C10	H8	0.6°	0.3°
H8	C10	C12	H11	0.1°	0.1°

Release date:	2013-05-22
Definition date:	2013-04-16
Last modified:	2013-05-17
Release status:	REL
Processing site:	RCSB
Derived from:	4JPG