0XP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	C26	sing	1.53Å	1.53Å
C25	C23	sing	1.53Å	1.53Å
C26	C23	sing	1.53Å	1.52Å
C26	F1	sing	1.40Å	1.40Å
C23	C21	sing	1.51Å	1.51Å
C21	O22	doub	1.21Å	1.22Å
C21	N20	sing	1.35Å	1.36Å
N20	C4	sing	1.39Å	1.40Å
C4	C5	doub	1.39Å	1.40Å	Aromatic
C4	N3	sing	1.33Å	1.33Å	Aromatic
C5	C6	sing	1.39Å	1.40Å	Aromatic
N18	C17	trip	1.14Å	1.14Å
C17	C13	sing	1.43Å	1.43Å
N3	C2	doub	1.32Å	1.33Å	Aromatic
C13	C14	doub	1.40Å	1.40Å	Aromatic
C13	C12	sing	1.40Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C6	N7	sing	1.39Å	1.40Å
C6	C1	doub	1.40Å	1.41Å	Aromatic
N7	C8	sing	1.35Å	1.36Å
C12	C11	doub	1.38Å	1.39Å	Aromatic
C15	CL1	sing	1.74Å	1.74Å
C15	C10	doub	1.40Å	1.41Å	Aromatic
C11	C10	sing	1.40Å	1.41Å	Aromatic
C11	CL2	sing	1.74Å	1.74Å
C10	C8	sing	1.48Å	1.48Å
C2	C1	sing	1.38Å	1.39Å	Aromatic
C8	O9	doub	1.22Å	1.22Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
N7	H4	sing	0.97Å	1.00Å
C12	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
N20	H7	sing	0.97Å	1.00Å
C23	H24	sing	1.09Å	1.10Å
C25	H8	sing	1.09Å	1.10Å
C25	H9	sing	1.09Å	1.10Å
C26	H27	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C26	C25	C23	59.7°	60.0°
C25	C26	C23	60.1°	60.0°
C25	C26	F1	118.4°	117.5°
C26	C25	H8	120.0°	117.5°
C26	C25	H9	120.0°	117.5°
C25	C26	H27	115.4°	117.5°
C25	C23	C26	60.2°	60.0°
C25	C23	C21	119.4°	117.5°
C25	C23	H24	115.7°	117.4°
C23	C25	H8	120.0°	117.5°
C23	C25	H9	120.0°	117.5°
C23	C26	F1	116.5°	117.5°
C26	C23	C21	117.9°	117.5°
C26	C23	H24	115.9°	117.5°
C23	C26	H27	115.5°	117.5°
F1	C26	H27	118.1°	115.6°
C23	C21	O22	120.4°	120.0°
C23	C21	N20	116.6°	120.0°
C21	C23	H24	116.2°	115.6°
O22	C21	N20	122.9°	120.0°
C21	N20	C4	127.7°	120.0°
C21	N20	H7	116.1°	120.0°
N20	C4	C5	121.6°	119.7°
N20	C4	N3	118.5°	119.6°
C4	N20	H7	116.2°	120.0°
C5	C4	N3	119.7°	120.7°
C4	C5	C6	120.1°	119.0°
C4	C5	H3	119.9°	120.5°
C4	N3	C2	122.2°	121.8°
C5	C6	N7	116.5°	120.8°
C5	C6	C1	117.7°	118.3°
C6	C5	H3	120.0°	120.5°
N18	C17	C13	179.8°	180.0°
C17	C13	C14	119.9°	120.0°
C17	C13	C12	119.9°	119.9°
N3	C2	C1	121.0°	120.9°
N3	C2	H2	119.5°	119.5°
C14	C13	C12	120.2°	120.0°
C13	C14	C15	120.1°	120.0°
C13	C14	H6	120.0°	120.0°
C13	C12	C11	120.3°	120.0°
C13	C12	H5	119.8°	120.0°
C14	C15	CL1	118.7°	120.0°
C14	C15	C10	120.0°	119.9°
C15	C14	H6	120.0°	120.0°
N7	C6	C1	125.6°	120.8°
C6	N7	C8	130.5°	120.1°
C6	N7	H4	114.8°	120.0°
C6	C1	C2	119.1°	119.3°
C6	C1	H1	120.5°	120.3°
N7	C8	C10	116.8°	120.0°
N7	C8	O9	123.7°	119.9°
C8	N7	H4	114.7°	119.9°
C12	C11	C10	119.7°	120.0°
C12	C11	CL2	118.7°	120.0°
C11	C12	H5	119.8°	119.9°
CL1	C15	C10	121.3°	120.0°
C15	C10	C11	119.7°	120.0°
C15	C10	C8	120.4°	120.0°
C10	C11	CL2	121.6°	120.0°
C11	C10	C8	119.7°	120.0°
C10	C8	O9	119.6°	120.0°
C2	C1	H1	120.4°	120.4°
C1	C2	H2	119.5°	119.6°
H8	C25	H9	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C26	C25	C23	H8	109.4°	107.4°
C26	C25	C23	H9	109.4°	107.4°
C25	C26	C23	F1	109.0°	107.5°
C25	C26	C23	H27	105.9°	107.5°
C25	C26	F1	H27	147.1°	145.8°
C26	C25	C23	C21	107.2°	107.5°
C26	C25	C23	H24	106.4°	107.5°
C26	C25	H8	H9	144.9°	145.6°
C25	C23	C21	H24	146.3°	145.6°
C25	C23	C21	O22	18.8°	0.0°
C25	C23	C21	N20	161.1°	180.0°
C23	C25	H8	H9	144.9°	145.8°
C23	C26	F1	H27	144.2°	145.7°
C26	C23	C21	H24	144.1°	145.8°
C26	C23	C21	O22	50.8°	68.7°
C26	C23	C21	N20	129.3°	111.3°
F1	C26	C23	C21	0.6°	0.1°
F1	C26	C23	H24	144.8°	145.0°
F1	C26	C25	H8	3.4°	145.0°
F1	C26	C25	H9	144.6°	0.1°
C23	C21	O22	N20	179.9°	180.0°
C23	C21	N20	C4	179.4°	174.8°
C23	C21	N20	H7	0.6°	5.1°
C21	C23	C25	H8	2.2°	145.0°
C21	C23	C25	H9	143.4°	0.1°
C21	C23	C26	H27	144.5°	145.0°
O22	C21	N20	C4	0.4°	5.2°
O22	C21	N20	H7	179.6°	174.9°
O22	C21	C23	H24	165.1°	145.6°
C21	N20	C4	H7	180.0°	179.9°
C21	N20	C4	C5	39.5°	174.5°
C21	N20	C4	N3	145.7°	5.2°
N20	C21	C23	H24	14.8°	34.5°
N20	C4	C5	N3	174.8°	179.7°
N20	C4	C5	C6	178.9°	180.0°
N20	C4	N3	C2	177.7°	179.7°
N20	C4	C5	H3	1.1°	0.3°
C4	C5	C6	H3	180.0°	179.7°
C5	C4	N3	C2	2.7°	0.0°
C4	C5	C6	N7	179.2°	180.0°
C4	C5	C6	C1	3.2°	0.6°
C5	C4	N20	H7	140.6°	5.6°
N3	C4	C5	C6	4.0°	0.3°
C4	N3	C2	C1	0.6°	0.0°
C4	N3	C2	H2	179.5°	180.0°
N3	C4	C5	H3	175.9°	180.0°
N3	C4	N20	H7	34.3°	174.7°
C5	C6	N7	C1	175.6°	179.4°
C5	C6	N7	C8	174.9°	145.3°
C5	C6	C1	C2	1.1°	0.6°
C5	C6	C1	H1	178.9°	179.7°
C5	C6	N7	H4	5.1°	34.7°
N18	C17	C13	C14	33.8°	32.3°
N18	C17	C13	C12	145.8°	148.0°
C17	C13	C14	C12	179.6°	179.8°
C17	C13	C14	C15	180.0°	180.0°
C17	C13	C12	C11	179.6°	179.7°
C17	C13	C12	H5	0.4°	0.3°
C17	C13	C14	H6	0.0°	0.2°
N3	C2	C1	C6	0.2°	0.3°
N3	C2	C1	H2	180.0°	180.0°
N3	C2	C1	H1	179.7°	180.0°
C13	C14	C15	H6	180.0°	179.8°
C14	C13	C12	C11	0.8°	0.0°
C13	C14	C15	CL1	179.1°	179.9°
C13	C14	C15	C10	1.2°	0.5°
C14	C13	C12	H5	179.2°	180.0°
C12	C13	C14	C15	0.5°	0.2°
C13	C12	C11	H5	180.0°	180.0°
C13	C12	C11	C10	2.0°	0.0°
C13	C12	C11	CL2	178.9°	180.0°
C12	C13	C14	H6	179.5°	179.9°
C14	C15	CL1	C10	179.7°	179.4°
C14	C15	C10	C11	2.3°	0.5°
C14	C15	C10	C8	178.6°	179.7°
C6	N7	C8	H4	180.0°	180.0°
C6	N7	C8	C10	177.3°	175.5°
N7	C6	C1	C2	176.7°	180.0°
C6	N7	C8	O9	2.8°	4.5°
N7	C6	C1	H1	3.3°	0.3°
N7	C6	C5	H3	0.8°	0.3°
C1	C6	N7	C8	0.7°	35.3°
C6	C1	C2	H1	180.0°	179.8°
C6	C1	C2	H2	179.7°	179.8°
C1	C6	C5	H3	176.8°	179.8°
C1	C6	N7	H4	179.3°	144.7°
N7	C8	C10	C15	65.3°	89.7°
N7	C8	C10	C11	110.9°	90.0°
N7	C8	C10	O9	179.9°	179.9°
C12	C11	C10	C15	2.7°	0.3°
C12	C11	C10	CL2	179.1°	180.0°
C12	C11	C10	C8	179.0°	180.0°
CL1	C15	C10	C11	178.0°	180.0°
CL1	C15	C10	C8	1.8°	0.3°
CL1	C15	C14	H6	0.9°	0.2°
C15	C10	C11	C8	176.3°	179.7°
C15	C10	C11	CL2	178.2°	179.8°
C15	C10	C8	O9	114.6°	90.3°
C10	C15	C14	H6	178.8°	179.7°
C11	C10	C8	O9	69.2°	90.0°
C10	C11	C12	H5	178.1°	180.0°
CL2	C11	C10	C8	2.0°	0.0°
CL2	C11	C12	H5	1.0°	0.0°
C10	C8	N7	H4	2.7°	4.4°
O9	C8	N7	H4	177.2°	175.5°
H1	C1	C2	H2	0.3°	0.0°
H24	C23	C25	H8	144.2°	0.1°
H24	C23	C25	H9	3.0°	145.0°
H24	C23	C26	H27	0.3°	0.0°
H8	C25	C26	H27	144.5°	0.1°
H9	C25	C26	H27	3.3°	145.0°

Release date:	2013-05-29
Definition date:	2012-08-29
Last modified:	2013-05-24
Release status:	REL
Processing site:	RCSB
Derived from:	4GJ3