7OP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F25	C13	sing	1.40Å	1.35Å
O19	C17	doub	1.22Å	1.22Å
C14	C13	sing	1.53Å	1.50Å
C14	N15	sing	1.47Å	1.43Å
C13	F24	sing	1.40Å	1.36Å
C13	C12	sing	1.53Å	1.51Å
C17	N15	sing	1.35Å	1.37Å
C17	C18	sing	1.48Å	1.45Å
N15	C16	sing	1.47Å	1.44Å
C12	C11	sing	1.53Å	1.51Å
C23	C18	doub	1.40Å	1.37Å	Aromatic
C23	C22	sing	1.38Å	1.37Å	Aromatic
C18	C20	sing	1.40Å	1.37Å	Aromatic
C16	C11	sing	1.53Å	1.51Å
C11	C6	sing	1.51Å	1.49Å
C22	C26	doub	1.39Å	1.37Å	Aromatic
C20	C21	doub	1.38Å	1.37Å	Aromatic
C1	C6	doub	1.36Å	1.33Å	Aromatic
C1	C2	sing	1.40Å	1.47Å	Aromatic
C6	N5	sing	1.36Å	1.37Å	Aromatic
C26	C21	sing	1.39Å	1.37Å	Aromatic
C26	F27	sing	1.35Å	1.34Å
N5	N9	sing	1.40Å	1.34Å	Aromatic
N5	C4	sing	1.37Å	1.36Å	Aromatic
C10	C2	sing	1.51Å	1.50Å
C2	N3	doub	1.31Å	1.29Å	Aromatic
N9	C8	doub	1.31Å	1.33Å	Aromatic
C4	N3	sing	1.34Å	1.34Å	Aromatic
C4	N7	doub	1.33Å	1.31Å	Aromatic
C8	N7	sing	1.33Å	1.37Å	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
C21	H6	sing	1.08Å	1.08Å
C22	H7	sing	1.08Å	1.08Å
C23	H8	sing	1.08Å	1.08Å
C1	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F25	C13	C14	106.9°	109.5°
F25	C13	F24	106.6°	109.5°
F25	C13	C12	111.2°	109.5°
O19	C17	N15	125.4°	120.0°
O19	C17	C18	119.5°	120.0°
C13	C14	N15	112.1°	108.8°
C14	C13	F24	109.1°	109.5°
C14	C13	C12	113.8°	109.3°
C13	C14	H14	108.8°	109.6°
C13	C14	H15	108.8°	109.6°
C14	N15	C17	116.4°	120.6°
C14	N15	C16	118.8°	118.7°
N15	C14	H14	108.8°	109.6°
N15	C14	H15	108.8°	109.5°
F24	C13	C12	109.0°	109.5°
C13	C12	C11	109.8°	109.5°
C13	C12	H10	109.4°	109.5°
C13	C12	H11	109.4°	109.4°
N15	C17	C18	115.1°	120.0°
C17	N15	C16	124.1°	120.6°
C17	C18	C23	118.3°	120.1°
C17	C18	C20	118.7°	120.1°
N15	C16	C11	113.1°	108.8°
N15	C16	H12	108.6°	109.6°
N15	C16	H13	108.6°	109.7°
C12	C11	C16	115.9°	109.3°
C12	C11	C6	116.0°	109.5°
C11	C12	H10	109.4°	109.5°
C11	C12	H11	109.4°	109.5°
C12	C11	H16	102.0°	109.5°
C18	C23	C22	118.2°	119.9°
C23	C18	C20	123.1°	119.8°
C18	C23	H8	120.9°	120.1°
C23	C22	C26	119.4°	120.1°
C23	C22	H7	120.3°	120.0°
C22	C23	H8	120.9°	120.0°
C18	C20	C21	118.3°	119.9°
C18	C20	H5	120.9°	120.1°
C16	C11	C6	115.3°	109.5°
C11	C16	H12	108.6°	109.6°
C11	C16	H13	108.5°	109.6°
C16	C11	H16	102.0°	109.5°
C11	C6	C1	125.1°	120.5°
C11	C6	N5	117.0°	120.4°
C6	C11	H16	102.3°	109.4°
C22	C26	C21	121.7°	120.2°
C22	C26	F27	119.4°	119.8°
C26	C22	H7	120.3°	120.0°
C20	C21	C26	119.4°	120.1°
C21	C20	H5	120.8°	120.0°
C20	C21	H6	120.3°	120.0°
C6	C1	C2	116.9°	119.2°
C1	C6	N5	117.9°	119.0°
C6	C1	H9	121.5°	120.4°
C1	C2	C10	117.3°	119.8°
C1	C2	N3	124.3°	120.3°
C2	C1	H9	121.5°	120.4°
C6	N5	N9	127.0°	133.3°
C6	N5	C4	122.4°	120.3°
C21	C26	F27	118.9°	119.9°
C26	C21	H6	120.3°	119.9°
N9	N5	C4	110.6°	106.4°
N5	N9	C8	102.0°	107.0°
N5	C4	N3	121.7°	120.3°
N5	C4	N7	109.6°	107.3°
C10	C2	N3	118.4°	119.8°
C2	C10	H2	109.5°	109.4°
C2	C10	H3	109.5°	109.4°
C2	C10	H4	109.5°	109.5°
C2	N3	C4	116.7°	120.9°
N9	C8	N7	114.9°	109.6°
N9	C8	H1	122.6°	125.2°
N3	C4	N7	128.7°	132.5°
C4	N7	C8	103.0°	109.7°
N7	C8	H1	122.5°	125.2°
H2	C10	H3	109.5°	109.5°
H2	C10	H4	109.5°	109.5°
H3	C10	H4	109.4°	109.5°
H10	C12	H11	109.5°	109.5°
H12	C16	H13	109.5°	109.7°
H14	C14	H15	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F25	C13	C14	F24	115.0°	120.0°
F25	C13	C14	C12	123.1°	120.0°
F25	C13	C14	N15	174.8°	174.6°
F25	C13	F24	C12	120.1°	120.1°
F25	C13	C12	C11	171.5°	178.7°
F25	C13	C12	H10	51.4°	61.3°
F25	C13	C12	H11	68.5°	58.7°
F25	C13	C14	H14	64.8°	65.5°
F25	C13	C14	H15	54.4°	54.9°
O19	C17	N15	C14	12.5°	176.2°
O19	C17	N15	C18	179.5°	179.9°
O19	C17	N15	C16	157.9°	3.8°
O19	C17	C18	C23	42.4°	129.2°
O19	C17	C18	C20	137.2°	50.8°
C13	C14	N15	H14	120.4°	119.9°
C13	C14	N15	H15	120.4°	119.8°
C14	C13	F24	C12	124.8°	119.9°
C13	C14	N15	C17	141.2°	126.4°
C13	C14	N15	C16	47.8°	53.6°
C14	C13	C12	C11	50.7°	61.4°
C14	C13	C12	H10	69.3°	58.7°
C14	C13	C12	H11	170.7°	178.6°
C13	C14	H14	H15	118.8°	120.4°
N15	C14	C13	F24	70.3°	65.4°
N15	C14	C13	C12	51.7°	54.6°
C14	N15	C17	C16	170.4°	180.0°
C14	N15	C17	C18	166.9°	3.7°
C14	N15	C16	C11	42.7°	53.6°
C14	N15	C16	H12	163.2°	66.2°
C14	N15	C16	H13	77.8°	173.4°
N15	C14	H14	H15	118.8°	120.3°
F24	C13	C12	C11	71.3°	58.6°
F24	C13	C12	H10	168.7°	178.6°
F24	C13	C12	H11	48.7°	61.4°
F24	C13	C14	H14	50.1°	54.5°
F24	C13	C14	H15	169.3°	174.9°
C13	C12	C11	H10	120.0°	120.0°
C13	C12	C11	H11	120.0°	120.0°
C13	C12	C11	C16	46.0°	61.4°
C13	C12	C11	C6	174.1°	178.6°
C13	C12	H10	H11	119.9°	119.9°
C12	C13	C14	H14	172.1°	174.5°
C12	C13	C14	H15	68.7°	65.1°
C13	C12	C11	H16	63.9°	58.6°
N15	C17	C18	C23	138.2°	50.8°
N15	C17	C18	C20	42.3°	129.2°
C17	N15	C16	C11	147.1°	126.4°
C17	N15	C16	H12	26.6°	113.9°
C17	N15	C16	H13	92.4°	6.6°
C17	N15	C14	H14	20.8°	6.5°
C17	N15	C14	H15	98.4°	113.8°
C18	C17	N15	C16	22.7°	176.3°
C17	C18	C23	C20	179.5°	180.0°
C17	C18	C23	C22	179.7°	179.5°
C17	C18	C20	C21	179.7°	179.9°
C17	C18	C20	H5	0.3°	0.3°
C17	C18	C23	H8	0.3°	0.0°
N15	C16	C11	C12	41.6°	54.7°
N15	C16	C11	H12	120.5°	119.8°
N15	C16	C11	H13	120.5°	119.9°
N15	C16	C11	C6	178.2°	174.6°
N15	C16	H12	H13	118.4°	120.4°
C16	N15	C14	H14	168.3°	173.4°
C16	N15	C14	H15	72.6°	66.2°
N15	C16	C11	H16	68.3°	65.4°
C12	C11	C16	C6	140.2°	120.0°
C12	C11	C16	H16	109.9°	120.0°
C12	C11	C6	H16	110.1°	120.1°
C12	C11	C6	C1	27.4°	120.0°
C12	C11	C6	N5	151.9°	60.0°
C11	C12	H10	H11	119.9°	120.0°
C12	C11	C16	H12	162.1°	65.1°
C12	C11	C16	H13	78.9°	174.5°
C18	C23	C22	H8	180.0°	179.4°
C18	C23	C22	C26	0.1°	0.8°
C23	C18	C20	C21	0.2°	0.0°
C23	C18	C20	H5	179.8°	179.7°
C18	C23	C22	H7	179.9°	179.7°
C22	C23	C18	C20	0.2°	0.5°
C23	C22	C26	H7	180.0°	179.4°
C23	C22	C26	C21	0.0°	0.6°
C23	C22	C26	F27	180.0°	179.5°
C18	C20	C21	H5	180.0°	179.7°
C18	C20	C21	C26	0.1°	0.3°
C18	C20	C21	H6	179.9°	179.7°
C20	C18	C23	H8	179.8°	180.0°
C16	C11	C6	H16	109.8°	120.1°
C16	C11	C6	C1	112.8°	120.2°
C16	C11	C6	N5	68.0°	59.8°
C16	C11	C12	H10	74.1°	58.6°
C16	C11	C12	H11	166.0°	178.6°
C11	C16	H12	H13	118.3°	120.3°
C11	C6	C1	N5	179.2°	180.0°
C11	C6	C1	C2	179.5°	179.9°
C11	C6	N5	N9	0.5°	0.0°
C11	C6	N5	C4	179.2°	179.9°
C11	C6	C1	H9	0.5°	0.0°
C6	C11	C12	H10	65.8°	61.3°
C6	C11	C12	H11	54.1°	58.7°
C6	C11	C16	H12	57.7°	54.9°
C6	C11	C16	H13	61.2°	65.5°
C22	C26	C21	C20	0.0°	0.0°
C22	C26	C21	F27	180.0°	180.0°
C22	C26	C21	H6	180.0°	180.0°
C26	C22	C23	H8	179.9°	179.7°
C20	C21	C26	H6	180.0°	180.0°
C20	C21	C26	F27	180.0°	179.9°
C6	C1	C2	H9	180.0°	180.0°
C1	C6	N5	N9	179.8°	180.0°
C1	C6	N5	C4	0.1°	0.1°
C6	C1	C2	C10	179.8°	180.0°
C6	C1	C2	N3	0.7°	0.1°
C1	C6	C11	H16	137.4°	0.1°
C2	C1	C6	N5	0.3°	0.1°
C1	C2	C10	N3	179.6°	179.9°
C1	C2	N3	C4	0.6°	0.1°
C1	C2	C10	H2	179.6°	90.0°
C1	C2	C10	H3	60.4°	150.0°
C1	C2	C10	H4	59.6°	30.0°
C6	N5	N9	C4	179.7°	179.9°
C6	N5	N9	C8	179.8°	180.0°
C6	N5	C4	N3	0.2°	0.1°
C6	N5	C4	N7	179.8°	180.0°
N5	C6	C1	H9	179.7°	180.0°
N5	C6	C11	H16	41.8°	179.9°
C26	C21	C20	H5	179.9°	180.0°
C21	C26	C22	H7	180.0°	180.0°
F27	C26	C21	H6	0.0°	0.0°
F27	C26	C22	H7	0.0°	0.1°
N9	N5	C4	N3	179.9°	180.0°
N9	N5	C4	N7	0.0°	0.1°
N5	N9	C8	N7	0.2°	0.1°
N5	N9	C8	H1	179.9°	180.0°
N5	C4	N3	C2	0.1°	0.1°
C4	N5	N9	C8	0.1°	0.1°
N5	C4	N3	N7	179.9°	179.9°
N5	C4	N7	C8	0.1°	0.0°
C10	C2	N3	C4	179.9°	180.0°
C2	C10	H2	H3	120.0°	119.9°
C2	C10	H2	H4	120.0°	120.0°
C2	C10	H3	H4	120.0°	120.0°
C10	C2	C1	H9	0.2°	0.1°
C2	N3	C4	N7	179.9°	180.0°
N3	C2	C10	H2	0.0°	90.0°
N3	C2	C10	H3	120.0°	29.9°
N3	C2	C10	H4	120.0°	149.9°
N3	C2	C1	H9	179.3°	180.0°
N9	C8	N7	C4	0.1°	0.1°
N9	C8	N7	H1	180.0°	179.9°
N3	C4	N7	C8	180.0°	179.9°
C4	N7	C8	H1	179.9°	180.0°
H2	C10	H3	H4	120.0°	120.1°
H5	C20	C21	H6	0.1°	0.1°
H7	C22	C23	H8	0.1°	0.3°
H10	C12	C11	H16	176.1°	178.6°
H11	C12	C11	H16	56.1°	61.4°
H12	C16	C11	H16	52.2°	174.9°
H13	C16	C11	H16	171.2°	54.5°

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