7OJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F26	C13	sing	1.40Å	1.36Å
C14	C13	sing	1.53Å	1.53Å
C14	N15	sing	1.47Å	1.44Å
O19	C17	doub	1.22Å	1.21Å
C13	F25	sing	1.40Å	1.40Å
C13	C12	sing	1.53Å	1.52Å
N15	C17	sing	1.35Å	1.39Å
N15	C16	sing	1.47Å	1.45Å
C17	C18	sing	1.48Å	1.45Å
C12	C11	sing	1.53Å	1.52Å
C23	C18	doub	1.40Å	1.40Å	Aromatic
C23	C22	sing	1.38Å	1.37Å	Aromatic
C16	C11	sing	1.53Å	1.53Å
C18	C20	sing	1.40Å	1.38Å	Aromatic
C11	C6	sing	1.51Å	1.50Å
C22	C27	doub	1.39Å	1.38Å	Aromatic
C20	C21	doub	1.38Å	1.39Å	Aromatic
C1	C6	doub	1.36Å	1.33Å	Aromatic
C1	C2	sing	1.40Å	1.48Å	Aromatic
C6	N5	sing	1.36Å	1.38Å	Aromatic
C27	C21	sing	1.39Å	1.37Å	Aromatic
C27	F28	sing	1.35Å	1.35Å
C21	BR24	sing	1.89Å	1.87Å
C10	C2	sing	1.51Å	1.50Å
C2	N3	doub	1.31Å	1.30Å	Aromatic
N5	N9	sing	1.40Å	1.34Å	Aromatic
N5	C4	sing	1.37Å	1.38Å	Aromatic
N9	C8	doub	1.31Å	1.33Å	Aromatic
N3	C4	sing	1.34Å	1.37Å	Aromatic
C4	N7	doub	1.33Å	1.32Å	Aromatic
C8	N7	sing	1.33Å	1.35Å	Aromatic
C8	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C20	H5	sing	1.08Å	1.08Å
C22	H6	sing	1.08Å	1.08Å
C23	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F26	C13	C14	110.8°	109.5°
F26	C13	F25	108.9°	109.5°
F26	C13	C12	102.1°	109.5°
C13	C14	N15	111.6°	108.8°
C14	C13	F25	108.5°	109.5°
C14	C13	C12	110.5°	109.3°
C13	C14	H13	108.9°	109.6°
C13	C14	H14	108.9°	109.6°
C14	N15	C17	117.2°	120.6°
C14	N15	C16	116.8°	118.7°
N15	C14	H13	108.9°	109.6°
N15	C14	H14	108.9°	109.6°
O19	C17	N15	125.4°	119.9°
O19	C17	C18	111.2°	120.0°
F25	C13	C12	115.9°	109.5°
C13	C12	C11	109.4°	109.5°
C13	C12	H9	109.5°	109.5°
C13	C12	H10	109.5°	109.5°
C17	N15	C16	126.0°	120.7°
N15	C17	C18	123.2°	120.1°
N15	C16	C11	109.3°	108.8°
N15	C16	H11	109.5°	109.6°
N15	C16	H12	109.5°	109.7°
C17	C18	C23	115.3°	120.1°
C17	C18	C20	121.5°	120.1°
C12	C11	C16	108.0°	109.3°
C12	C11	C6	113.3°	109.5°
C11	C12	H9	109.5°	109.5°
C11	C12	H10	109.5°	109.5°
C12	C11	H15	107.6°	109.5°
C18	C23	C22	119.8°	119.9°
C23	C18	C20	123.1°	119.8°
C18	C23	H7	120.1°	120.1°
C23	C22	C27	118.0°	120.1°
C23	C22	H6	121.0°	119.9°
C22	C23	H7	120.1°	120.0°
C16	C11	C6	112.3°	109.5°
C11	C16	H11	109.5°	109.6°
C11	C16	H12	109.5°	109.6°
C16	C11	H15	107.6°	109.5°
C18	C20	C21	115.2°	119.8°
C18	C20	H5	122.4°	120.1°
C11	C6	C1	126.2°	120.5°
C11	C6	N5	115.9°	120.5°
C6	C11	H15	107.9°	109.5°
C22	C27	C21	121.3°	120.3°
C22	C27	F28	122.4°	119.8°
C27	C22	H6	121.0°	120.0°
C20	C21	C27	122.6°	120.1°
C20	C21	BR24	123.4°	120.0°
C21	C20	H5	122.4°	120.0°
C6	C1	C2	114.9°	119.3°
C1	C6	N5	117.9°	119.0°
C6	C1	H8	122.5°	120.4°
C1	C2	C10	116.2°	119.9°
C1	C2	N3	128.1°	120.3°
C2	C1	H8	122.6°	120.4°
C6	N5	N9	126.9°	133.3°
C6	N5	C4	124.3°	120.3°
C21	C27	F28	116.2°	119.9°
C27	C21	BR24	114.0°	119.9°
C10	C2	N3	115.7°	119.9°
C2	C10	H2	109.5°	109.5°
C2	C10	H3	109.5°	109.5°
C2	C10	H4	109.4°	109.5°
C2	N3	C4	114.5°	120.9°
N9	N5	C4	108.8°	106.4°
N5	N9	C8	102.7°	107.0°
N5	C4	N3	120.2°	120.3°
N5	C4	N7	110.4°	107.2°
N9	C8	N7	116.0°	109.7°
N9	C8	H1	122.0°	125.2°
N3	C4	N7	129.4°	132.5°
C4	N7	C8	102.1°	109.7°
N7	C8	H1	122.0°	125.1°
H2	C10	H3	109.4°	109.5°
H2	C10	H4	109.5°	109.5°
H3	C10	H4	109.5°	109.5°
H9	C12	H10	109.5°	109.4°
H11	C16	H12	109.5°	109.6°
H13	C14	H14	109.4°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F26	C13	C14	F25	119.5°	120.1°
F26	C13	C14	C12	112.4°	120.0°
F26	C13	C14	N15	162.3°	174.6°
F26	C13	F25	C12	114.3°	120.0°
F26	C13	C12	C11	175.2°	178.6°
F26	C13	C12	H9	55.2°	61.4°
F26	C13	C12	H10	64.8°	58.6°
F26	C13	C14	H13	77.4°	65.6°
F26	C13	C14	H14	41.9°	54.8°
C13	C14	N15	H13	120.3°	119.8°
C13	C14	N15	H14	120.3°	119.8°
C14	C13	F25	C12	125.0°	119.8°
C13	C14	N15	C17	129.3°	126.4°
C13	C14	N15	C16	50.6°	53.6°
C14	C13	C12	C11	57.2°	61.4°
C14	C13	C12	H9	62.8°	58.6°
C14	C13	C12	H10	177.2°	178.6°
C13	C14	H13	H14	119.0°	120.3°
C14	N15	C17	O19	12.8°	174.2°
N15	C14	C13	F25	78.3°	65.3°
N15	C14	C13	C12	49.8°	54.6°
C14	N15	C17	C16	179.9°	180.0°
C14	N15	C17	C18	172.8°	5.9°
C14	N15	C16	C11	55.6°	53.6°
C14	N15	C16	H11	175.6°	66.2°
C14	N15	C16	H12	64.4°	173.5°
N15	C14	H13	H14	119.0°	120.4°
O19	C17	N15	C18	174.4°	180.0°
O19	C17	N15	C16	167.3°	5.9°
O19	C17	C18	C23	54.0°	138.5°
O19	C17	C18	C20	123.8°	41.5°
F25	C13	C12	C11	66.7°	58.6°
F25	C13	C12	H9	173.3°	178.6°
F25	C13	C12	H10	53.3°	61.4°
F25	C13	C14	H13	42.1°	54.5°
F25	C13	C14	H14	161.4°	174.9°
C13	C12	C11	H9	120.0°	120.0°
C13	C12	C11	H10	120.0°	120.1°
C13	C12	C11	C16	62.1°	61.4°
C13	C12	C11	C6	172.9°	178.7°
C13	C12	H9	H10	120.0°	120.0°
C12	C13	C14	H13	170.2°	174.5°
C12	C13	C14	H14	70.5°	65.2°
C13	C12	C11	H15	53.8°	58.6°
N15	C17	C18	C23	121.1°	41.5°
C17	N15	C16	C11	124.3°	126.4°
N15	C17	C18	C20	61.1°	138.6°
C17	N15	C16	H11	4.3°	113.8°
C17	N15	C16	H12	115.7°	6.6°
C17	N15	C14	H13	9.0°	6.6°
C17	N15	C14	H14	110.3°	113.8°
C16	N15	C17	C18	7.1°	174.1°
N15	C16	C11	C12	59.4°	54.6°
N15	C16	C11	H11	120.0°	119.8°
N15	C16	C11	H12	120.0°	119.9°
N15	C16	C11	C6	175.0°	174.6°
N15	C16	H11	H12	120.1°	120.4°
C16	N15	C14	H13	170.9°	173.4°
C16	N15	C14	H14	69.8°	66.2°
N15	C16	C11	H15	56.5°	65.3°
C17	C18	C23	C20	177.8°	180.0°
C17	C18	C23	C22	179.0°	179.5°
C17	C18	C20	C21	179.3°	180.0°
C17	C18	C20	H5	0.7°	0.2°
C17	C18	C23	H7	1.0°	0.0°
C12	C11	C16	C6	125.6°	120.0°
C12	C11	C16	H15	115.9°	120.0°
C12	C11	C6	H15	119.0°	120.1°
C12	C11	C6	C1	19.2°	119.9°
C12	C11	C6	N5	160.2°	60.0°
C11	C12	H9	H10	120.0°	119.9°
C12	C11	C16	H11	179.4°	65.2°
C12	C11	C16	H12	60.6°	174.5°
C18	C23	C22	H7	180.0°	179.5°
C18	C23	C22	C27	0.1°	0.7°
C23	C18	C20	C21	1.7°	0.0°
C23	C18	C20	H5	178.4°	179.8°
C18	C23	C22	H6	179.9°	179.7°
C22	C23	C18	C20	1.3°	0.4°
C23	C22	C27	H6	180.0°	179.5°
C23	C22	C27	C21	0.5°	0.5°
C23	C22	C27	F28	179.4°	179.9°
C16	C11	C6	H15	118.4°	120.1°
C16	C11	C6	C1	103.5°	120.2°
C16	C11	C6	N5	77.1°	59.9°
C16	C11	C12	H9	57.9°	58.6°
C16	C11	C12	H10	177.9°	178.6°
C11	C16	H11	H12	120.1°	120.3°
C18	C20	C21	H5	180.0°	179.7°
C18	C20	C21	C27	1.0°	0.3°
C18	C20	C21	BR24	179.6°	179.7°
C20	C18	C23	H7	178.7°	180.0°
C11	C6	C1	N5	179.4°	179.9°
C11	C6	C1	C2	179.6°	180.0°
C11	C6	N5	N9	0.1°	0.0°
C11	C6	N5	C4	179.5°	180.0°
C11	C6	C1	H8	0.4°	0.1°
C6	C11	C12	H9	67.1°	61.3°
C6	C11	C12	H10	52.9°	58.6°
C6	C11	C16	H11	55.0°	54.8°
C6	C11	C16	H12	65.0°	65.5°
C22	C27	C21	C20	0.0°	0.0°
C22	C27	C21	F28	179.9°	179.5°
C22	C27	C21	BR24	179.4°	180.0°
C27	C22	C23	H7	179.9°	179.7°
C20	C21	C27	BR24	179.5°	180.0°
C20	C21	C27	F28	179.9°	179.4°
C6	C1	C2	H8	180.0°	179.9°
C6	C1	C2	C10	178.8°	179.9°
C6	C1	C2	N3	0.4°	0.0°
C1	C6	N5	N9	179.4°	180.0°
C1	C6	N5	C4	0.0°	0.1°
C1	C6	C11	H15	138.2°	0.2°
C2	C1	C6	N5	0.2°	0.1°
C1	C2	C10	N3	179.4°	180.0°
C1	C2	N3	C4	0.5°	0.0°
C1	C2	C10	H2	179.4°	90.0°
C1	C2	C10	H3	59.4°	150.0°
C1	C2	C10	H4	60.6°	30.0°
C6	N5	N9	C4	179.5°	180.0°
C6	N5	N9	C8	179.4°	180.0°
C6	N5	C4	N3	0.1°	0.0°
C6	N5	C4	N7	179.6°	180.0°
N5	C6	C1	H8	179.8°	180.0°
N5	C6	C11	H15	41.2°	179.9°
C27	C21	C20	H5	179.0°	180.0°
C21	C27	C22	H6	179.5°	180.0°
F28	C27	C21	BR24	0.6°	0.6°
F28	C27	C22	H6	0.6°	0.5°
BR24	C21	C20	H5	0.4°	0.0°
C10	C2	N3	C4	178.8°	180.0°
C2	C10	H2	H3	120.0°	120.0°
C2	C10	H2	H4	120.0°	120.0°
C2	C10	H3	H4	120.0°	120.0°
C10	C2	C1	H8	1.2°	0.0°
C2	N3	C4	N5	0.3°	0.0°
C2	N3	C4	N7	179.4°	179.9°
N3	C2	C10	H2	0.0°	90.0°
N3	C2	C10	H3	120.0°	30.0°
N3	C2	C10	H4	120.0°	150.0°
N3	C2	C1	H8	179.5°	179.9°
N9	N5	C4	N3	179.4°	180.0°
N9	N5	C4	N7	0.9°	0.1°
N5	N9	C8	N7	1.2°	0.0°
N5	N9	C8	H1	178.8°	179.9°
C4	N5	N9	C8	1.2°	0.1°
N5	C4	N3	N7	179.7°	180.0°
N5	C4	N7	C8	0.2°	0.0°
N9	C8	N7	C4	0.7°	0.0°
N9	C8	N7	H1	180.0°	180.0°
N3	C4	N7	C8	179.9°	180.0°
C4	N7	C8	H1	179.3°	180.0°
H2	C10	H3	H4	120.0°	120.0°
H6	C22	C23	H7	0.1°	0.2°
H9	C12	C11	H15	173.8°	178.6°
H10	C12	C11	H15	66.2°	61.5°
H11	C16	C11	H15	63.5°	174.9°
H12	C16	C11	H15	176.4°	54.6°

Release date:	2017-02-22
Definition date:	2016-11-25
Last modified:	2017-02-17
Release status:	REL
Processing site:	RCSB
Derived from:	5TZC