84W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C11	doub	1.22Å	1.40Å
C11	N13	sing	1.35Å	1.34Å
C11	C10	sing	1.47Å	1.41Å
C9	C10	doub	1.40Å	1.43Å	Aromatic
C9	C8	sing	1.36Å	1.39Å	Aromatic
N13	N14	sing	1.40Å	1.40Å
C10	C18	sing	1.42Å	1.34Å	Aromatic
C8	C7	doub	1.40Å	1.39Å	Aromatic
N14	C15	doub	1.30Å	1.34Å
C18	C15	sing	1.46Å	1.41Å
C18	C19	doub	1.39Å	1.43Å	Aromatic
C7	C19	sing	1.39Å	1.38Å	Aromatic
C7	C4	sing	1.48Å	1.53Å
C5	C4	sing	1.41Å	1.37Å	Aromatic
C5	N6	doub	1.31Å	1.33Å	Aromatic
C15	C16	sing	1.51Å	1.52Å
N17	C16	sing	1.47Å	1.45Å
C4	C3	doub	1.37Å	1.37Å	Aromatic
N6	N2	sing	1.40Å	1.39Å	Aromatic
C3	N2	sing	1.35Å	1.33Å	Aromatic
N2	C1	sing	1.47Å	1.45Å
C5	H5	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C1	H13	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C19	H19	sing	1.08Å	1.08Å
N13	H131	sing	0.97Å	1.00Å
N17	H171	sing	1.01Å	1.00Å
N17	H173	sing	1.01Å	1.00Å
N17	H172	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C11	N13	120.0°	120.6°
O12	C11	C10	120.0°	120.6°
N13	C11	C10	120.0°	118.8°
C11	N13	N14	120.3°	121.8°
C11	N13	H131	119.9°	119.1°
C11	C10	C9	120.7°	121.8°
C11	C10	C18	119.7°	118.1°
C10	C9	C8	120.2°	119.8°
C9	C10	C18	119.6°	120.0°
C10	C9	H9	119.9°	120.1°
C9	C8	C7	119.9°	120.8°
C9	C8	H8	120.0°	119.7°
C8	C9	H9	119.9°	120.1°
N13	N14	C15	119.7°	122.6°
N14	N13	H131	119.9°	119.0°
C10	C18	C15	120.2°	118.6°
C10	C18	C19	120.0°	119.6°
C8	C7	C19	119.7°	120.4°
C8	C7	C4	121.3°	119.8°
C7	C8	H8	120.0°	119.6°
N14	C15	C18	120.1°	120.0°
N14	C15	C16	120.2°	120.0°
C15	C18	C19	119.8°	121.8°
C18	C15	C16	119.7°	120.0°
C18	C19	C7	120.5°	119.4°
C18	C19	H19	119.7°	120.3°
C19	C7	C4	119.1°	119.8°
C7	C19	H19	119.8°	120.3°
C7	C4	C5	125.5°	126.3°
C7	C4	C3	126.6°	126.2°
C4	C5	N6	108.1°	108.1°
C5	C4	C3	107.9°	107.5°
C4	C5	H5	126.0°	126.0°
C5	N6	N2	108.0°	108.5°
N6	C5	H5	126.0°	125.9°
C15	C16	N17	109.0°	109.5°
C15	C16	H161	109.6°	109.4°
C15	C16	H162	109.6°	109.4°
N17	C16	H161	109.6°	109.5°
N17	C16	H162	109.6°	109.5°
C16	N17	H171	109.5°	109.4°
C16	N17	H173	109.5°	109.4°
C16	N17	H172	109.4°	109.5°
C4	C3	N2	108.0°	107.6°
C4	C3	H3	126.0°	126.2°
N6	N2	C3	108.1°	108.3°
N6	N2	C1	125.5°	125.9°
C3	N2	C1	126.4°	125.9°
N2	C3	H3	126.0°	126.2°
N2	C1	H13	109.5°	109.5°
N2	C1	H11	109.5°	109.5°
N2	C1	H12	109.5°	109.4°
H13	C1	H11	109.5°	109.5°
H13	C1	H12	109.4°	109.5°
H11	C1	H12	109.5°	109.4°
H161	C16	H162	109.5°	109.5°
H171	N17	H173	109.5°	109.5°
H171	N17	H172	109.5°	109.5°
H173	N17	H172	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C11	N13	C10	179.9°	179.9°
O12	C11	C10	C9	0.1°	0.5°
O12	C11	N13	N14	180.0°	180.0°
O12	C11	C10	C18	180.0°	180.0°
O12	C11	N13	H131	0.0°	0.1°
N13	C11	C10	C9	180.0°	179.6°
C11	N13	N14	H131	180.0°	179.9°
N13	C11	C10	C18	0.1°	0.1°
C11	N13	N14	C15	0.1°	0.6°
C11	C10	C9	C18	179.8°	179.5°
C11	C10	C9	C8	180.0°	179.8°
C10	C11	N13	N14	0.1°	0.1°
C11	C10	C18	C15	0.0°	0.5°
C11	C10	C18	C19	179.8°	180.0°
C11	C10	C9	H9	0.0°	0.2°
C10	C11	N13	H131	179.9°	180.0°
C10	C9	C8	H9	180.0°	180.0°
C10	C9	C8	C7	0.2°	0.0°
C9	C10	C18	C15	179.8°	180.0°
C9	C10	C18	C19	0.1°	0.5°
C10	C9	C8	H8	179.8°	180.0°
C8	C9	C10	C18	0.1°	0.3°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	C19	0.1°	0.0°
C9	C8	C7	C4	179.9°	179.8°
N13	N14	C15	C18	0.3°	1.1°
N13	N14	C15	C16	179.9°	179.9°
C10	C18	C15	N14	0.2°	1.1°
C10	C18	C15	C19	179.8°	179.4°
C10	C18	C19	C7	0.1°	0.5°
C10	C18	C15	C16	179.9°	180.0°
C18	C10	C9	H9	179.9°	179.7°
C10	C18	C19	H19	179.9°	179.5°
C8	C7	C19	C18	0.0°	0.3°
C8	C7	C19	C4	179.7°	179.7°
C8	C7	C4	C5	148.1°	180.0°
C8	C7	C4	C3	32.3°	0.3°
C7	C8	C9	H9	179.8°	179.9°
C8	C7	C19	H19	180.0°	179.7°
N14	C15	C18	C16	179.7°	179.0°
N14	C15	C18	C19	180.0°	179.5°
N14	C15	C16	N17	25.8°	1.0°
N14	C15	C16	H161	145.7°	121.1°
N14	C15	C16	H162	94.2°	119.0°
C15	N14	N13	H131	179.9°	179.4°
C15	C18	C19	C7	179.9°	180.0°
C18	C15	C16	N17	153.9°	180.0°
C18	C15	C16	H161	34.0°	60.0°
C18	C15	C16	H162	86.1°	60.0°
C15	C18	C19	H19	0.1°	0.0°
C18	C19	C7	H19	180.0°	180.0°
C18	C19	C7	C4	179.7°	180.0°
C19	C18	C15	C16	0.3°	0.5°
C19	C7	C4	C5	31.7°	0.3°
C19	C7	C4	C3	148.0°	180.0°
C19	C7	C8	H8	179.9°	180.0°
C7	C4	C5	C3	179.7°	179.8°
C7	C4	C5	N6	179.9°	179.8°
C7	C4	C3	N2	179.9°	179.8°
C7	C4	C5	H5	0.1°	0.3°
C4	C7	C8	H8	0.1°	0.3°
C7	C4	C3	H3	0.1°	0.3°
C4	C7	C19	H19	0.3°	0.0°
C4	C5	N6	H5	180.0°	180.0°
C4	C5	N6	N2	0.1°	0.0°
C5	C4	C3	N2	0.2°	0.0°
C5	C4	C3	H3	179.8°	180.0°
N6	C5	C4	C3	0.1°	0.0°
C5	N6	N2	C3	0.1°	0.0°
C5	N6	N2	C1	179.9°	180.0°
C15	C16	N17	H161	119.9°	120.0°
C15	C16	N17	H162	119.9°	120.0°
C15	C16	H161	H162	120.2°	119.9°
C15	C16	N17	H171	180.0°	60.0°
C15	C16	N17	H173	60.0°	180.0°
C15	C16	N17	H172	60.0°	60.0°
N17	C16	H161	H162	120.2°	120.1°
C16	N17	H171	H173	120.0°	120.0°
C16	N17	H171	H172	120.0°	120.0°
C16	N17	H173	H172	120.0°	120.0°
C4	C3	N2	N6	0.1°	0.0°
C4	C3	N2	H3	180.0°	180.0°
C4	C3	N2	C1	179.8°	180.0°
C3	C4	C5	H5	179.8°	180.0°
N6	N2	C3	C1	180.0°	179.9°
N2	N6	C5	H5	179.9°	179.9°
N6	N2	C1	H13	0.0°	90.0°
N6	N2	C1	H11	120.0°	30.1°
N6	N2	C1	H12	120.0°	150.0°
N6	N2	C3	H3	179.8°	180.0°
C3	N2	C1	H13	180.0°	89.9°
C3	N2	C1	H11	60.0°	150.0°
C3	N2	C1	H12	60.0°	30.1°
N2	C1	H13	H11	120.0°	120.1°
N2	C1	H13	H12	120.0°	120.0°
N2	C1	H11	H12	120.0°	119.9°
C1	N2	C3	H3	0.2°	0.1°
H8	C8	C9	H9	0.3°	0.0°
H13	C1	H11	H12	120.0°	120.0°
H161	C16	N17	H171	60.0°	60.0°
H161	C16	N17	H173	179.9°	60.0°
H161	C16	N17	H172	59.9°	180.0°
H162	C16	N17	H171	60.1°	180.0°
H162	C16	N17	H173	60.0°	60.0°
H162	C16	N17	H172	179.9°	60.0°
H171	N17	H173	H172	120.0°	120.1°

Release date:	2022-01-26
Definition date:	2021-09-04
Last modified:	2022-01-21
Release status:	REL
Processing site:	RCSB
Derived from:	7S1Q