0X6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	C25	sing	1.53Å	1.53Å
C24	C23	sing	1.53Å	1.53Å
C25	C23	sing	1.53Å	1.53Å
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	1.32Å	1.34Å	Aromatic
C5	C6	sing	1.39Å	1.40Å	Aromatic
N18	C17	trip	1.14Å	1.13Å
C17	C13	sing	1.43Å	1.43Å
N3	C2	doub	1.32Å	1.33Å	Aromatic
C14	C13	doub	1.40Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.40Å	1.40Å	Aromatic
N7	C6	sing	1.39Å	1.40Å
N7	C8	sing	1.35Å	1.36Å
C6	C1	doub	1.40Å	1.41Å	Aromatic
CL1	C15	sing	1.74Å	1.73Å
C15	C10	doub	1.40Å	1.41Å	Aromatic
C12	C11	doub	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.40Å	1.41Å	Aromatic
C11	CL2	sing	1.74Å	1.74Å
C10	C8	sing	1.48Å	1.48Å
C8	O9	doub	1.22Å	1.22Å
C2	C1	sing	1.38Å	1.39Å	Aromatic
C14	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.08Å	1.08Å
C2	H5	sing	1.08Å	1.08Å
N7	H6	sing	0.97Å	1.00Å
N20	H7	sing	0.97Å	1.00Å
C23	H8	sing	1.09Å	1.10Å
C24	H9	sing	1.09Å	1.10Å
C24	H10	sing	1.09Å	1.10Å
C25	H11	sing	1.09Å	1.10Å
C25	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	C24	C23	59.9°	60.0°
C24	C25	C23	60.0°	60.0°
C25	C24	H9	120.0°	117.5°
C25	C24	H10	120.0°	117.5°
C24	C25	H11	120.0°	117.6°
C24	C25	H12	120.0°	117.5°
C24	C23	C25	60.0°	60.1°
C24	C23	C21	119.8°	117.5°
C24	C23	H8	115.5°	117.6°
C23	C24	H9	120.0°	117.5°
C23	C24	H10	120.0°	117.5°
C25	C23	C21	118.7°	117.5°
C25	C23	H8	115.5°	117.6°
C23	C25	H11	120.0°	117.6°
C23	C25	H12	120.0°	117.5°
C23	C21	O22	120.3°	120.0°
C23	C21	N20	117.4°	120.0°
C21	C23	H8	115.8°	115.5°
O22	C21	N20	122.3°	120.0°
C21	N20	C4	126.5°	120.0°
C21	N20	H7	116.7°	120.0°
N20	C4	C5	121.7°	119.7°
N20	C4	N3	118.8°	119.7°
C4	N20	H7	116.7°	120.0°
C5	C4	N3	119.4°	120.7°
C4	C5	C6	120.2°	119.0°
C4	C5	H2	119.9°	120.5°
C4	N3	C2	122.6°	121.9°
C5	C6	N7	116.6°	120.8°
C5	C6	C1	117.9°	118.4°
C6	C5	H2	119.9°	120.5°
N18	C17	C13	179.5°	180.0°
C17	C13	C14	119.6°	120.0°
C17	C13	C12	120.1°	120.0°
N3	C2	C1	120.7°	120.9°
N3	C2	H5	119.7°	119.6°
C13	C14	C15	119.8°	120.0°
C14	C13	C12	120.2°	120.0°
C13	C14	H1	120.1°	120.0°
C14	C15	CL1	119.0°	120.0°
C14	C15	C10	120.2°	120.0°
C15	C14	H1	120.1°	120.0°
C13	C12	C11	120.2°	120.0°
C13	C12	H3	119.9°	120.0°
C6	N7	C8	129.3°	120.0°
N7	C6	C1	125.4°	120.8°
C6	N7	H6	115.4°	120.0°
N7	C8	C10	117.5°	120.0°
N7	C8	O9	123.6°	120.0°
C8	N7	H6	115.4°	120.0°
C6	C1	C2	119.2°	119.2°
C6	C1	H4	120.4°	120.4°
CL1	C15	C10	120.8°	120.0°
C15	C10	C11	119.7°	120.0°
C15	C10	C8	120.8°	120.0°
C12	C11	C10	119.9°	120.0°
C12	C11	CL2	119.6°	120.0°
C11	C12	H3	119.9°	120.0°
C10	C11	CL2	120.4°	120.0°
C11	C10	C8	119.5°	120.0°
C10	C8	O9	118.9°	120.0°
C2	C1	H4	120.4°	120.4°
C1	C2	H5	119.6°	119.5°
H9	C24	H10	109.4°	115.6°
H11	C25	H12	109.5°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	C24	C23	H9	109.5°	107.5°
C25	C24	C23	H10	109.5°	107.4°
C24	C25	C23	H11	109.5°	107.5°
C24	C25	C23	H12	109.5°	107.4°
C25	C24	C23	C21	108.0°	107.5°
C25	C24	C23	H8	106.1°	107.6°
C25	C24	H9	H10	144.8°	145.6°
C24	C25	H11	H12	144.8°	145.7°
C24	C23	C21	H8	145.8°	145.7°
C24	C23	C21	O22	28.6°	0.1°
C24	C23	C21	N20	150.4°	179.9°
C23	C24	H9	H10	144.8°	145.8°
C25	C23	C21	H8	144.2°	145.7°
C25	C23	C21	O22	41.4°	68.8°
C25	C23	C21	N20	139.6°	111.3°
C23	C25	H11	H12	144.7°	145.7°
C23	C21	O22	N20	179.0°	180.0°
C23	C21	N20	C4	179.3°	174.8°
C23	C21	N20	H7	0.6°	5.2°
C21	C23	C24	H9	1.4°	145.0°
C21	C23	C24	H10	142.5°	0.0°
C21	C23	C25	H11	140.7°	0.0°
C21	C23	C25	H12	0.3°	145.1°
O22	C21	N20	C4	1.7°	5.2°
O22	C21	N20	H7	178.4°	174.8°
O22	C21	C23	H8	174.5°	145.6°
C21	N20	C4	H7	180.0°	180.0°
C21	N20	C4	C5	34.3°	174.4°
C21	N20	C4	N3	146.9°	5.8°
N20	C21	C23	H8	4.6°	34.4°
N20	C4	C5	N3	178.8°	179.8°
N20	C4	C5	C6	178.7°	179.8°
N20	C4	N3	C2	179.9°	179.7°
N20	C4	C5	H2	1.3°	0.3°
C4	C5	C6	H2	180.0°	180.0°
C5	C4	N3	C2	1.3°	0.0°
C4	C5	C6	N7	179.1°	180.0°
C4	C5	C6	C1	2.7°	0.0°
C5	C4	N20	H7	145.7°	5.6°
N3	C4	C5	C6	2.5°	0.0°
C4	N3	C2	C1	0.3°	0.1°
N3	C4	C5	H2	177.5°	179.9°
C4	N3	C2	H5	179.7°	180.0°
N3	C4	N20	H7	33.1°	174.2°
C5	C6	N7	C1	176.1°	180.0°
C5	C6	N7	C8	176.5°	145.0°
C5	C6	C1	C2	1.7°	0.0°
C5	C6	C1	H4	178.3°	180.0°
C5	C6	N7	H6	3.5°	34.9°
N18	C17	C13	C14	24.1°	66.8°
N18	C17	C13	C12	155.9°	113.2°
C17	C13	C14	C12	179.9°	180.0°
C17	C13	C14	C15	179.9°	180.0°
C17	C13	C12	C11	180.0°	180.0°
C17	C13	C14	H1	0.1°	0.3°
C17	C13	C12	H3	0.0°	0.0°
N3	C2	C1	C6	0.5°	0.1°
N3	C2	C1	H5	180.0°	179.9°
N3	C2	C1	H4	179.6°	180.0°
C13	C14	C15	H1	180.0°	179.7°
C13	C14	C15	CL1	179.1°	180.0°
C13	C14	C15	C10	0.5°	0.0°
C14	C13	C12	C11	0.1°	0.0°
C14	C13	C12	H3	180.0°	180.0°
C15	C14	C13	C12	0.2°	0.0°
C14	C15	CL1	C10	179.5°	180.0°
C14	C15	C10	C11	1.2°	0.0°
C14	C15	C10	C8	179.9°	180.0°
C13	C12	C11	H3	180.0°	180.0°
C13	C12	C11	C10	0.7°	0.1°
C13	C12	C11	CL2	179.1°	180.0°
C12	C13	C14	H1	179.9°	179.7°
C6	N7	C8	H6	180.0°	180.0°
C6	N7	C8	C10	178.8°	175.6°
C6	N7	C8	O9	0.8°	4.5°
N7	C6	C1	C2	177.7°	180.0°
N7	C6	C5	H2	0.9°	0.0°
N7	C6	C1	H4	2.3°	0.0°
C8	N7	C6	C1	7.4°	35.0°
N7	C8	C10	C15	69.9°	90.0°
N7	C8	C10	C11	109.1°	89.9°
N7	C8	C10	O9	179.6°	179.9°
C6	C1	C2	H4	180.0°	180.0°
C1	C6	C5	H2	177.3°	179.9°
C6	C1	C2	H5	179.5°	180.0°
C1	C6	N7	H6	172.6°	145.0°
CL1	C15	C10	C11	178.3°	180.0°
CL1	C15	C10	C8	0.6°	0.0°
CL1	C15	C14	H1	1.0°	0.3°
C15	C10	C11	C12	1.3°	0.1°
C15	C10	C11	C8	179.0°	179.9°
C15	C10	C11	CL2	178.5°	180.0°
C15	C10	C8	O9	110.5°	90.0°
C10	C15	C14	H1	179.5°	179.7°
C12	C11	C10	CL2	179.8°	179.9°
C12	C11	C10	C8	179.7°	180.0°
C11	C10	C8	O9	70.5°	90.0°
C10	C11	C12	H3	179.3°	179.9°
CL2	C11	C10	C8	0.5°	0.1°
CL2	C11	C12	H3	0.9°	0.0°
C10	C8	N7	H6	1.2°	4.4°
O9	C8	N7	H6	179.2°	175.5°
H4	C1	C2	H5	0.4°	0.0°
H8	C23	C24	H9	144.5°	0.1°
H8	C23	C24	H10	3.4°	145.0°
H8	C23	C25	H11	3.5°	144.9°
H8	C23	C25	H12	144.5°	0.1°
H9	C24	C25	H11	141.1°	145.0°
H9	C24	C25	H12	0.0°	0.0°
H10	C24	C25	H11	0.0°	0.0°
H10	C24	C25	H12	141.1°	145.0°

Release date:	2013-05-29
Definition date:	2012-08-28
Last modified:	2013-05-24
Release status:	REL
Processing site:	RCSB
Derived from:	4GII