1RJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N19	C17	sing	1.35Å	1.34Å
C11	N12	doub	1.31Å	1.33Å	Aromatic
C11	N10	sing	1.32Å	1.34Å	Aromatic
N12	C7	sing	1.34Å	1.36Å	Aromatic
C17	O18	doub	1.22Å	1.21Å
C17	C13	sing	1.47Å	1.49Å
N10	C9	doub	1.33Å	1.36Å	Aromatic
C7	C13	doub	1.41Å	1.46Å	Aromatic
C7	C8	sing	1.42Å	1.47Å	Aromatic
C13	C14	sing	1.39Å	1.42Å	Aromatic
C9	C8	sing	1.42Å	1.44Å	Aromatic
C9	N20	sing	1.38Å	1.40Å
C8	C16	doub	1.40Å	1.41Å	Aromatic
C14	C15	doub	1.39Å	1.40Å	Aromatic
C6	C5	doub	1.38Å	1.41Å	Aromatic
C6	C1	sing	1.38Å	1.42Å	Aromatic
C5	C4	sing	1.38Å	1.41Å	Aromatic
C21	N20	sing	1.46Å	1.48Å
C21	C1	sing	1.51Å	1.52Å
C21	C22	sing	1.53Å	1.53Å
N23	C24	sing	1.47Å	1.48Å
N23	C22	sing	1.47Å	1.47Å
C1	C2	doub	1.38Å	1.42Å	Aromatic
C16	C15	sing	1.37Å	1.54Å	Aromatic
C4	C3	doub	1.38Å	1.41Å	Aromatic
C2	C3	sing	1.38Å	1.41Å	Aromatic
C3	F25	sing	1.35Å	1.37Å
C2	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
C21	H6	sing	1.09Å	1.10Å
C22	H7	sing	1.09Å	1.10Å
C22	H8	sing	1.09Å	1.10Å
N23	H9	sing	1.01Å	1.00Å
C24	H11	sing	1.09Å	1.10Å
C24	H12	sing	1.09Å	1.10Å
C24	H13	sing	1.09Å	1.10Å
C4	H14	sing	1.08Å	1.08Å
C5	H15	sing	1.08Å	1.08Å
C6	H16	sing	1.08Å	1.08Å
N19	H17	sing	0.97Å	1.00Å
N19	H18	sing	0.97Å	1.00Å
N20	H19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N19	C17	O18	118.6°	120.0°
N19	C17	C13	121.5°	120.0°
C17	N19	H17	120.0°	120.0°
C17	N19	H18	120.0°	120.0°
N12	C11	N10	122.6°	122.9°
C11	N12	C7	121.2°	120.6°
N12	C11	H2	118.7°	118.6°
C11	N10	C9	122.5°	121.5°
N10	C11	H2	118.7°	118.5°
N12	C7	C13	121.4°	122.0°
N12	C7	C8	118.4°	118.8°
O18	C17	C13	119.9°	120.0°
C17	C13	C7	122.0°	120.4°
C17	C13	C14	118.4°	120.4°
N10	C9	C8	117.6°	118.1°
N10	C9	N20	121.2°	120.9°
C13	C7	C8	120.1°	119.2°
C7	C13	C14	119.6°	119.2°
C7	C8	C9	117.7°	118.1°
C7	C8	C16	120.3°	119.8°
C13	C14	C15	122.1°	120.7°
C13	C14	H3	119.0°	119.7°
C8	C9	N20	121.2°	120.9°
C9	C8	C16	122.0°	122.0°
C9	N20	C21	120.7°	120.0°
C9	N20	H19	106.6°	120.0°
C8	C16	C15	118.3°	120.0°
C8	C16	H5	120.9°	119.9°
C14	C15	C16	119.6°	121.1°
C15	C14	H3	119.0°	119.6°
C14	C15	H4	120.2°	119.5°
C5	C6	C1	120.1°	120.1°
C6	C5	C4	120.0°	120.0°
C6	C5	H15	120.0°	120.1°
C5	C6	H16	120.0°	119.9°
C6	C1	C21	120.2°	120.0°
C6	C1	C2	119.6°	120.0°
C1	C6	H16	119.9°	120.0°
C5	C4	C3	120.5°	120.0°
C5	C4	H14	119.8°	120.0°
C4	C5	H15	120.0°	120.0°
N20	C21	C1	111.2°	109.5°
N20	C21	C22	109.2°	109.5°
N20	C21	H6	109.1°	109.5°
C21	N20	H19	106.6°	120.0°
C1	C21	C22	110.4°	109.4°
C21	C1	C2	120.2°	120.0°
C1	C21	H6	108.5°	109.4°
C21	C22	N23	109.2°	109.5°
C22	C21	H6	108.4°	109.5°
C21	C22	H7	109.5°	109.5°
C21	C22	H8	109.5°	109.5°
C24	N23	C22	112.5°	111.0°
C24	N23	H9	108.7°	111.0°
N23	C24	H11	109.5°	109.4°
N23	C24	H12	109.5°	109.4°
N23	C24	H13	109.5°	109.5°
N23	C22	H7	109.6°	109.4°
N23	C22	H8	109.5°	109.5°
C22	N23	H9	108.7°	111.0°
C1	C2	C3	120.5°	120.0°
C1	C2	H1	119.8°	120.0°
C16	C15	H4	120.2°	119.5°
C15	C16	H5	120.9°	120.0°
C4	C3	C2	119.3°	120.0°
C4	C3	F25	120.3°	120.0°
C3	C4	H14	119.7°	120.0°
C2	C3	F25	120.4°	120.1°
C3	C2	H1	119.7°	120.0°
H7	C22	H8	109.5°	109.5°
H11	C24	H12	109.5°	109.4°
H11	C24	H13	109.5°	109.5°
H12	C24	H13	109.5°	109.6°
H17	N19	H18	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N19	C17	O18	C13	179.8°	179.9°
N19	C17	C13	C7	4.8°	180.0°
N19	C17	C13	C14	175.7°	0.0°
C17	N19	H17	H18	180.0°	180.0°
N12	C11	N10	H2	180.0°	179.4°
N12	C11	N10	C9	0.2°	0.3°
C11	N12	C7	C13	179.9°	179.7°
C11	N12	C7	C8	0.6°	0.5°
N10	C11	N12	C7	0.3°	0.5°
C11	N10	C9	C8	0.4°	0.1°
C11	N10	C9	N20	179.9°	180.0°
N12	C7	C13	C17	0.7°	0.2°
N12	C7	C13	C8	179.3°	179.7°
N12	C7	C13	C14	179.8°	179.7°
N12	C7	C8	C9	0.8°	0.3°
N12	C7	C8	C16	179.9°	179.8°
C7	N12	C11	H2	179.7°	180.0°
O18	C17	C13	C7	175.4°	0.0°
O18	C17	C13	C14	4.1°	179.9°
O18	C17	N19	H17	0.0°	0.1°
O18	C17	N19	H18	180.0°	180.0°
C17	C13	C7	C14	179.5°	180.0°
C17	C13	C7	C8	180.0°	180.0°
C17	C13	C14	C15	179.9°	180.0°
C17	C13	C14	H3	0.1°	0.0°
C13	C17	N19	H17	179.9°	180.0°
C13	C17	N19	H18	0.2°	0.0°
N10	C9	C8	C7	0.7°	0.1°
N10	C9	C8	N20	179.7°	179.9°
N10	C9	C8	C16	180.0°	180.0°
N10	C9	N20	C21	6.5°	0.0°
C9	N10	C11	H2	179.8°	179.7°
N10	C9	N20	H19	115.1°	180.0°
C13	C7	C8	C9	179.9°	180.0°
C13	C7	C8	C16	0.5°	0.0°
C7	C13	C14	C15	0.4°	0.0°
C7	C13	C14	H3	179.6°	180.0°
C8	C7	C13	C14	0.5°	0.0°
C7	C8	C9	C16	179.3°	179.9°
C7	C8	C9	N20	179.6°	180.0°
C7	C8	C16	C15	0.5°	0.1°
C7	C8	C16	H5	179.5°	180.0°
C13	C14	C15	H3	180.0°	180.0°
C13	C14	C15	C16	0.4°	0.0°
C13	C14	C15	H4	179.6°	180.0°
C8	C9	N20	C21	173.8°	180.0°
C9	C8	C16	C15	179.8°	180.0°
C9	C8	C16	H5	0.2°	0.0°
C8	C9	N20	H19	64.6°	0.0°
N20	C9	C8	C16	0.3°	0.1°
C9	N20	C21	H19	121.6°	180.0°
C9	N20	C21	C1	107.6°	155.0°
C9	N20	C21	C22	130.4°	85.0°
C9	N20	C21	H6	12.1°	35.0°
C8	C16	C15	C14	0.4°	0.1°
C8	C16	C15	H5	180.0°	179.9°
C8	C16	C15	H4	179.6°	179.9°
C14	C15	C16	H4	180.0°	180.0°
C14	C15	C16	H5	179.6°	180.0°
C5	C6	C1	H16	180.0°	179.3°
C6	C5	C4	H15	180.0°	179.7°
C5	C6	C1	C21	179.6°	179.7°
C5	C6	C1	C2	0.1°	0.6°
C6	C5	C4	C3	0.4°	0.3°
C6	C5	C4	H14	179.6°	179.7°
C1	C6	C5	C4	0.3°	0.6°
C6	C1	C21	N20	153.5°	40.3°
C6	C1	C21	C2	179.5°	179.7°
C6	C1	C21	C22	85.1°	79.7°
C6	C1	C2	C3	0.1°	0.3°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C21	H6	33.6°	160.3°
C1	C6	C5	H15	179.7°	179.7°
C5	C4	C3	H14	180.0°	180.0°
C5	C4	C3	C2	0.4°	0.0°
C5	C4	C3	F25	179.7°	180.0°
C4	C5	C6	H16	179.8°	179.9°
N20	C21	C1	C22	121.3°	120.0°
N20	C21	C1	H6	120.0°	120.0°
N20	C21	C22	H6	118.7°	120.0°
N20	C21	C22	N23	89.3°	55.0°
N20	C21	C1	C2	26.0°	140.0°
N20	C21	C22	H7	150.7°	175.0°
N20	C21	C22	H8	30.6°	65.0°
C1	C21	C22	H6	118.7°	119.9°
C1	C21	C22	N23	148.1°	175.0°
C21	C1	C2	C3	179.6°	180.0°
C21	C1	C2	H1	0.4°	0.0°
C1	C21	C22	H7	28.1°	65.0°
C1	C21	C22	H8	92.0°	55.0°
C21	C1	C6	H16	0.4°	0.4°
C1	C21	N20	H19	14.0°	25.0°
C21	C22	N23	C24	91.4°	180.0°
C21	C22	N23	H7	120.0°	120.0°
C21	C22	N23	H8	119.9°	120.0°
C22	C21	C1	C2	95.4°	100.0°
C21	C22	H7	H8	120.1°	120.0°
C21	C22	N23	H9	148.2°	56.0°
C22	C21	N20	H19	108.0°	95.0°
C24	N23	C22	H9	120.4°	124.0°
C24	N23	C22	H7	148.7°	60.0°
C24	N23	C22	H8	28.5°	60.0°
N23	C24	H11	H12	120.0°	119.9°
N23	C24	H11	H13	120.0°	120.0°
N23	C24	H12	H13	120.0°	120.0°
N23	C22	C21	H6	29.4°	65.0°
N23	C22	H7	H8	120.1°	120.0°
C22	N23	C24	H11	180.0°	180.0°
C22	N23	C24	H12	60.0°	60.1°
C22	N23	C24	H13	60.0°	60.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	F25	179.9°	180.0°
C2	C1	C21	H6	146.0°	20.0°
C2	C1	C6	H16	179.9°	179.9°
C16	C15	C14	H3	179.6°	180.0°
C4	C3	C2	F25	179.9°	180.0°
C4	C3	C2	H1	179.8°	180.0°
C3	C4	C5	H15	179.6°	180.0°
C2	C3	C4	H14	179.6°	180.0°
F25	C3	C2	H1	0.1°	0.0°
F25	C3	C4	H14	0.3°	0.0°
H3	C14	C15	H4	0.4°	0.0°
H4	C15	C16	H5	0.4°	0.0°
H6	C21	C22	H7	90.6°	54.9°
H6	C21	C22	H8	149.3°	175.0°
H6	C21	N20	H19	133.7°	145.0°
H7	C22	N23	H9	28.2°	64.0°
H8	C22	N23	H9	91.9°	176.0°
H9	N23	C24	H11	59.6°	56.0°
H9	N23	C24	H12	60.4°	63.9°
H9	N23	C24	H13	179.6°	176.0°
H11	C24	H12	H13	120.0°	120.1°
H14	C4	C5	H15	0.4°	0.0°
H15	C5	C6	H16	0.3°	0.4°

Release date:	2022-07-06
Definition date:	2021-06-24
Last modified:	2022-07-01
Release status:	REL
Processing site:	RCSB
Derived from:	7N91