GJ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C17	doub	1.21Å	1.26Å
O18	C17	sing	1.34Å	1.26Å
C17	C15	sing	1.51Å	1.53Å
C15	N16	sing	1.47Å	1.45Å
C15	C14	sing	1.53Å	1.52Å
C14	C13	sing	1.51Å	1.53Å
O20	C13	doub	1.21Å	1.18Å
C13	N12	sing	1.35Å	1.45Å
N12	C11	sing	1.40Å	1.45Å
C10	C11	doub	1.39Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C11	C21	sing	1.39Å	1.38Å	Aromatic
C9	C8	doub	1.39Å	1.38Å	Aromatic
C21	C22	doub	1.38Å	1.38Å	Aromatic
C8	C22	sing	1.39Å	1.39Å	Aromatic
C8	O7	sing	1.36Å	1.40Å
O7	C6	sing	1.36Å	1.40Å
BR	C23	sing	1.89Å	1.94Å
C6	C23	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.39Å	Aromatic
C23	C25	sing	1.38Å	1.38Å	Aromatic
C5	C3	doub	1.38Å	1.38Å	Aromatic
C25	C2	doub	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.39Å	1.38Å	Aromatic
C3	F4	sing	1.35Å	1.37Å
C2	F1	sing	1.35Å	1.36Å
C10	H1	sing	1.08Å	1.08Å
N12	H2	sing	0.97Å	1.00Å
C5	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
C25	H10	sing	1.08Å	1.08Å
N16	H11	sing	1.01Å	1.00Å
N16	H12	sing	1.01Å	1.00Å
O18	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C17	O18	120.0°	120.0°
O19	C17	C15	120.0°	120.0°
O18	C17	C15	119.9°	119.9°
C17	O18	H14	109.5°	117.0°
C17	C15	N16	109.8°	109.4°
C17	C15	C14	109.1°	109.5°
C17	C15	H7	109.1°	109.5°
N16	C15	C14	109.6°	109.5°
N16	C15	H7	110.1°	109.4°
C15	N16	H11	109.5°	111.0°
C15	N16	H12	109.5°	111.0°
C15	C14	C13	109.8°	109.5°
C15	C14	H5	109.4°	109.5°
C15	C14	H6	109.4°	109.5°
C14	C15	H7	109.1°	109.5°
C14	C13	O20	120.0°	120.0°
C14	C13	N12	120.1°	120.0°
C13	C14	H5	109.4°	109.4°
C13	C14	H6	109.4°	109.4°
O20	C13	N12	119.9°	120.0°
C13	N12	C11	119.7°	120.1°
C13	N12	H2	120.1°	120.0°
N12	C11	C10	120.6°	120.0°
N12	C11	C21	119.5°	120.1°
C11	N12	H2	120.2°	119.9°
C11	C10	C9	120.1°	120.0°
C10	C11	C21	119.9°	119.9°
C11	C10	H1	120.0°	119.9°
C10	C9	C8	120.2°	120.0°
C9	C10	H1	120.0°	120.1°
C10	C9	H4	119.9°	120.0°
C11	C21	C22	120.0°	120.0°
C11	C21	H8	120.0°	120.0°
C9	C8	C22	119.4°	120.0°
C9	C8	O7	120.0°	120.0°
C8	C9	H4	119.9°	119.9°
C21	C22	C8	120.5°	120.0°
C22	C21	H8	120.0°	120.1°
C21	C22	H9	119.7°	119.9°
C22	C8	O7	120.6°	120.0°
C8	C22	H9	119.8°	120.0°
C8	O7	C6	114.1°	118.0°
O7	C6	C23	119.5°	120.0°
O7	C6	C5	121.0°	120.0°
BR	C23	C6	120.0°	120.0°
BR	C23	C25	119.7°	120.0°
C23	C6	C5	119.5°	120.0°
C6	C23	C25	120.3°	120.0°
C6	C5	C3	120.3°	119.9°
C6	C5	H3	119.8°	120.0°
C23	C25	C2	120.0°	120.0°
C23	C25	H10	120.0°	120.0°
C5	C3	C2	119.9°	120.0°
C5	C3	F4	120.1°	120.0°
C3	C5	H3	119.8°	120.0°
C25	C2	C3	120.0°	120.0°
C25	C2	F1	120.0°	120.0°
C2	C25	H10	120.0°	119.9°
C2	C3	F4	120.0°	120.0°
C3	C2	F1	120.0°	120.0°
H5	C14	H6	109.5°	109.5°
H11	N16	H12	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C17	O18	C15	179.9°	180.0°
O19	C17	C15	N16	109.2°	20.0°
O19	C17	C15	C14	130.8°	100.0°
O19	C17	C15	H7	11.6°	139.9°
O19	C17	O18	H14	0.0°	0.0°
O18	C17	C15	N16	70.9°	160.0°
O18	C17	C15	C14	49.2°	80.0°
O18	C17	C15	H7	168.3°	40.1°
C17	C15	N16	C14	119.8°	120.0°
C17	C15	N16	H7	120.2°	120.0°
C17	C15	C14	H7	119.1°	120.0°
C17	C15	C14	C13	98.9°	175.0°
C17	C15	C14	H5	21.2°	55.1°
C17	C15	C14	H6	141.1°	65.0°
C17	C15	N16	H11	180.0°	63.9°
C17	C15	N16	H12	60.0°	60.0°
C15	C17	O18	H14	179.9°	180.0°
N16	C15	C14	H7	120.7°	120.0°
N16	C15	C14	C13	21.3°	65.0°
N16	C15	C14	H5	141.4°	175.0°
N16	C15	C14	H6	98.7°	55.0°
C15	N16	H11	H12	120.0°	123.9°
C15	C14	C13	H5	120.0°	120.0°
C15	C14	C13	H6	120.0°	120.0°
C15	C14	C13	O20	82.7°	0.1°
C15	C14	C13	N12	97.3°	180.0°
C15	C14	H5	H6	119.8°	120.1°
C14	C15	N16	H11	60.3°	176.1°
C14	C15	N16	H12	179.8°	60.0°
C14	C13	O20	N12	180.0°	179.9°
C14	C13	N12	C11	179.7°	174.0°
C14	C13	N12	H2	0.3°	5.9°
C13	C14	H5	H6	119.9°	119.9°
C13	C14	C15	H7	142.0°	55.0°
O20	C13	N12	C11	0.3°	6.0°
O20	C13	N12	H2	179.7°	174.0°
O20	C13	C14	H5	37.3°	119.9°
O20	C13	C14	H6	157.2°	120.1°
C13	N12	C11	H2	180.0°	179.9°
C13	N12	C11	C10	95.4°	26.0°
C13	N12	C11	C21	84.5°	153.8°
N12	C13	C14	H5	142.6°	60.0°
N12	C13	C14	H6	22.7°	60.0°
N12	C11	C10	C21	180.0°	179.8°
N12	C11	C10	C9	179.9°	180.0°
N12	C11	C21	C22	180.0°	180.0°
N12	C11	C10	H1	0.1°	0.4°
N12	C11	C21	H8	0.1°	0.1°
C11	C10	C9	H1	180.0°	179.7°
C11	C10	C9	C8	0.3°	0.1°
C10	C11	C21	C22	0.0°	0.1°
C10	C11	N12	H2	84.6°	153.9°
C11	C10	C9	H4	179.7°	180.0°
C10	C11	C21	H8	180.0°	180.0°
C9	C10	C11	C21	0.1°	0.1°
C10	C9	C8	H4	180.0°	180.0°
C10	C9	C8	C22	0.9°	0.0°
C10	C9	C8	O7	179.2°	180.0°
C11	C21	C22	H8	180.0°	179.9°
C11	C21	C22	C8	0.6°	0.1°
C21	C11	C10	H1	179.9°	179.8°
C21	C11	N12	H2	95.5°	26.3°
C11	C21	C22	H9	179.4°	180.0°
C9	C8	C22	C21	1.1°	0.0°
C9	C8	C22	O7	178.3°	180.0°
C9	C8	O7	C6	97.6°	114.2°
C8	C9	C10	H1	179.7°	179.7°
C9	C8	C22	H9	178.9°	180.0°
C21	C22	C8	H9	180.0°	180.0°
C21	C22	C8	O7	179.4°	180.0°
C22	C8	O7	C6	84.1°	65.7°
C22	C8	C9	H4	179.1°	180.0°
C8	C22	C21	H8	179.4°	180.0°
C8	O7	C6	C23	113.4°	174.9°
C8	O7	C6	C5	67.9°	5.4°
O7	C8	C9	H4	0.8°	0.0°
O7	C8	C22	H9	0.6°	0.0°
O7	C6	C23	BR	0.6°	0.3°
O7	C6	C23	C5	178.8°	179.7°
O7	C6	C23	C25	179.3°	180.0°
O7	C6	C5	C3	179.6°	179.7°
O7	C6	C5	H3	0.4°	0.2°
BR	C23	C6	C25	180.0°	179.8°
BR	C23	C6	C5	179.4°	180.0°
BR	C23	C25	C2	179.9°	179.7°
BR	C23	C25	H10	0.1°	0.2°
C23	C6	C5	C3	0.8°	0.0°
C6	C23	C25	C2	0.1°	0.5°
C23	C6	C5	H3	179.2°	179.9°
C6	C23	C25	H10	179.9°	180.0°
C5	C6	C23	C25	0.6°	0.3°
C6	C5	C3	H3	180.0°	179.9°
C6	C5	C3	C2	0.6°	0.0°
C6	C5	C3	F4	179.6°	180.0°
C23	C25	C2	H10	180.0°	179.5°
C23	C25	C2	C3	0.1°	0.5°
C23	C25	C2	F1	179.8°	179.7°
C5	C3	C2	C25	0.1°	0.3°
C5	C3	C2	F4	179.9°	180.0°
C5	C3	C2	F1	179.9°	180.0°
C25	C2	C3	F1	180.0°	179.7°
C25	C2	C3	F4	180.0°	179.8°
C2	C3	C5	H3	179.4°	179.9°
C3	C2	C25	H10	179.9°	180.0°
F4	C3	C2	F1	0.0°	0.1°
F4	C3	C5	H3	0.4°	0.0°
F1	C2	C25	H10	0.2°	0.3°
H1	C10	C9	H4	0.3°	0.3°
H5	C14	C15	H7	97.9°	65.0°
H6	C14	C15	H7	22.0°	175.0°
H7	C15	N16	H11	59.8°	56.0°
H7	C15	N16	H12	60.2°	179.9°
H8	C21	C22	H9	0.6°	0.0°

Release date:	2022-06-22
Definition date:	2022-05-13
Last modified:	2022-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	7XR6