UO3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	0.00Å	1.35Å	Aromatic
N1	C6	sing	0.00Å	1.34Å	Aromatic
C2	N3	sing	0.00Å	1.33Å	Aromatic
C2	S14	sing	0.00Å	1.74Å
N3	C4	doub	0.00Å	1.34Å	Aromatic
C4	N5	sing	0.00Å	1.36Å	Aromatic
C4	S15	sing	0.00Å	1.67Å
N5	C6	doub	0.00Å	1.36Å	Aromatic
N5	C7	sing	0.00Å	1.45Å
C6	O17	sing	0.00Å	1.30Å
C7	C8	sing	0.00Å	1.58Å
C8	C9	doub	0.00Å	1.35Å	Aromatic
C8	C13	sing	0.00Å	1.42Å	Aromatic
C9	N12	sing	0.00Å	1.38Å	Aromatic
C10	C11	sing	0.00Å	1.33Å	Aromatic
C10	N12	doub	0.00Å	1.36Å	Aromatic
C11	C13	doub	0.00Å	1.39Å	Aromatic
S14	C16	sing	0.00Å	1.81Å
C16	C28	sing	0.00Å	1.52Å
C28	C29	sing	0.00Å	1.51Å
C29	C30	sing	0.00Å	1.49Å
C30	C31	sing	0.00Å	1.49Å
C31	C32	sing	0.00Å	1.49Å
C10	H101	sing	0.00Å	1.08Å
C11	H111	sing	0.00Å	1.08Å
C13	H131	sing	0.00Å	1.08Å
C16	H162	sing	0.00Å	1.10Å
C16	H161	sing	0.00Å	1.10Å
C28	H282	sing	0.00Å	1.10Å
C28	H281	sing	0.00Å	1.10Å
C7	H71	sing	0.00Å	1.10Å
C7	H72	sing	0.00Å	1.10Å
C9	H91	sing	0.00Å	1.08Å
S15	H151	sing	0.00Å	1.30Å
C29	H292	sing	0.00Å	1.10Å
C29	H291	sing	0.00Å	1.10Å
C30	H302	sing	0.00Å	1.10Å
C30	H301	sing	0.00Å	1.10Å
C31	H311	sing	0.00Å	1.10Å
C31	H312	sing	0.00Å	1.10Å
C32	H322	sing	0.00Å	1.10Å
C32	H321	sing	0.00Å	1.10Å
C32	H323	sing	0.00Å	1.10Å
O17	H171	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	114.9°	90.0°
N1	C2	N3	126.1°	90.0°
N1	C2	S14	118.3°	90.0°
N1	C6	N5	121.2°	90.0°
N1	C6	O17	117.7°	90.0°
N3	C2	S14	115.6°	90.0°
C2	N3	C4	118.0°	90.0°
C2	S14	C16	105.7°	90.0°
N3	C4	N5	118.4°	90.0°
N3	C4	S15	120.1°	90.0°
N5	C4	S15	121.4°	90.0°
C4	N5	C6	120.9°	90.0°
C4	N5	C7	121.8°	90.0°
C4	S15	H151	102.0°	90.0°
C6	N5	C7	117.3°	90.0°
N5	C6	O17	121.1°	90.0°
N5	C7	C8	105.1°	90.0°
N5	C7	H71	110.6°	90.0°
N5	C7	H72	110.6°	90.0°
C6	O17	H171	109.5°	90.0°
C7	C8	C9	126.2°	90.0°
C7	C8	C13	118.6°	90.0°
C8	C7	H71	110.5°	90.0°
C8	C7	H72	110.6°	90.0°
C9	C8	C13	115.1°	90.0°
C8	C9	N12	121.7°	90.0°
C8	C9	H91	119.2°	90.0°
C8	C13	C11	124.3°	90.0°
C8	C13	H131	117.9°	90.0°
C9	N12	C10	120.1°	90.0°
N12	C9	H91	119.2°	90.0°
C11	C10	N12	123.1°	90.0°
C10	C11	C13	115.7°	90.0°
C11	C10	H101	118.5°	90.0°
C10	C11	H111	122.1°	90.0°
N12	C10	H101	118.4°	90.0°
C13	C11	H111	122.1°	90.0°
C11	C13	H131	117.9°	90.0°
S14	C16	C28	111.6°	90.0°
S14	C16	H162	108.9°	90.0°
S14	C16	H161	109.0°	90.0°
C16	C28	C29	118.2°	90.0°
C28	C16	H162	108.9°	90.0°
C28	C16	H161	108.9°	90.0°
C16	C28	H282	107.2°	90.0°
C16	C28	H281	107.2°	90.0°
C28	C29	C30	117.8°	90.0°
C29	C28	H282	107.3°	90.0°
C29	C28	H281	107.3°	90.0°
C28	C29	H292	107.4°	90.0°
C28	C29	H291	107.4°	90.0°
C29	C30	C31	117.9°	90.0°
C30	C29	H292	107.3°	90.0°
C30	C29	H291	107.4°	90.0°
C29	C30	H302	107.3°	90.0°
C29	C30	H301	107.3°	90.0°
C30	C31	C32	119.2°	90.0°
C31	C30	H302	107.3°	90.0°
C31	C30	H301	107.3°	90.0°
C30	C31	H311	107.0°	90.0°
C30	C31	H312	107.0°	90.0°
C32	C31	H311	107.0°	90.0°
C32	C31	H312	107.0°	90.0°
C31	C32	H322	109.5°	90.0°
C31	C32	H321	109.5°	90.0°
C31	C32	H323	109.5°	90.0°
H162	C16	H161	109.5°	90.0°
H282	C28	H281	109.4°	90.0°
H71	C7	H72	109.5°	90.0°
H292	C29	H291	109.5°	90.0°
H302	C30	H301	109.5°	90.0°
H311	C31	H312	109.4°	90.0°
H322	C32	H321	109.5°	90.0°
H322	C32	H323	109.4°	90.0°
H321	C32	H323	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	S14	179.4°	90.0°
N1	C2	N3	C4	4.8°	90.0°
C2	N1	C6	N5	0.6°	90.0°
C2	N1	C6	O17	178.3°	90.0°
N1	C2	S14	C16	23.5°	90.0°
C6	N1	C2	N3	5.6°	90.0°
C6	N1	C2	S14	173.8°	90.0°
N1	C6	N5	C4	5.0°	90.0°
N1	C6	N5	O17	178.8°	90.0°
N1	C6	N5	C7	172.3°	90.0°
N1	C6	O17	H171	0.0°	90.0°
C2	N3	C4	N5	1.2°	90.0°
C2	N3	C4	S15	175.3°	90.0°
N3	C2	S14	C16	156.0°	90.0°
S14	C2	N3	C4	174.7°	90.0°
C2	S14	C16	C28	83.9°	90.0°
C2	S14	C16	H162	36.5°	90.0°
C2	S14	C16	H161	155.8°	90.0°
N3	C4	N5	S15	176.5°	90.0°
N3	C4	N5	C6	5.9°	90.0°
N3	C4	N5	C7	171.2°	90.0°
N3	C4	S15	H151	0.0°	90.0°
C4	N5	C6	C7	177.3°	90.0°
C4	N5	C6	O17	176.2°	90.0°
C4	N5	C7	C8	98.1°	90.0°
C4	N5	C7	H71	21.2°	90.0°
C4	N5	C7	H72	142.6°	90.0°
N5	C4	S15	H151	176.4°	90.0°
S15	C4	N5	C6	170.6°	90.0°
S15	C4	N5	C7	12.3°	90.0°
C6	N5	C7	C8	79.2°	90.0°
C6	N5	C7	H71	161.5°	90.0°
C6	N5	C7	H72	40.1°	90.0°
N5	C6	O17	H171	178.9°	90.0°
C7	N5	C6	O17	6.6°	90.0°
N5	C7	C8	H71	119.3°	90.0°
N5	C7	C8	H72	119.3°	90.0°
N5	C7	C8	C9	97.5°	90.0°
N5	C7	C8	C13	79.9°	90.0°
N5	C7	H71	H72	122.1°	90.0°
C7	C8	C9	C13	177.5°	90.0°
C7	C8	C9	N12	177.0°	90.0°
C7	C8	C13	C11	177.1°	90.0°
C7	C8	C13	H131	2.9°	90.0°
C8	C7	H71	H72	122.0°	90.0°
C7	C8	C9	H91	3.0°	90.0°
C8	C9	N12	H91	180.0°	90.0°
C8	C9	N12	C10	0.3°	90.0°
C9	C8	C13	C11	0.6°	90.0°
C9	C8	C13	H131	179.4°	90.0°
C9	C8	C7	H71	143.2°	90.0°
C9	C8	C7	H72	21.9°	90.0°
C13	C8	C9	N12	0.4°	90.0°
C8	C13	C11	C10	0.0°	90.0°
C8	C13	C11	H131	180.0°	90.0°
C8	C13	C11	H111	180.0°	90.0°
C13	C8	C7	H71	39.4°	90.0°
C13	C8	C7	H72	160.8°	90.0°
C13	C8	C9	H91	179.6°	90.0°
C9	N12	C10	C11	0.9°	90.0°
C9	N12	C10	H101	179.1°	90.0°
C11	C10	N12	H101	180.0°	90.0°
C10	C11	C13	H111	180.0°	90.0°
C10	C11	C13	H131	180.0°	90.0°
N12	C10	C11	C13	0.7°	90.0°
N12	C10	C11	H111	179.2°	90.0°
C10	N12	C9	H91	179.7°	90.0°
C13	C11	C10	H101	179.2°	90.0°
S14	C16	C28	H162	120.3°	90.0°
S14	C16	C28	H161	120.3°	90.0°
S14	C16	C28	C29	69.2°	90.0°
S14	C16	H162	H161	119.1°	90.0°
S14	C16	C28	H282	169.6°	90.0°
S14	C16	C28	H281	52.1°	90.0°
C16	C28	C29	H282	121.3°	90.0°
C16	C28	C29	H281	121.2°	90.0°
C16	C28	C29	C30	179.2°	90.0°
C28	C16	H162	H161	119.0°	90.0°
C16	C28	H282	H281	116.0°	90.0°
C16	C28	C29	H292	59.7°	90.0°
C16	C28	C29	H291	58.0°	90.0°
C28	C29	C30	H292	121.2°	90.0°
C28	C29	C30	H291	121.2°	90.0°
C28	C29	C30	C31	176.1°	90.0°
C29	C28	C16	H162	51.2°	90.0°
C29	C28	C16	H161	170.5°	90.0°
C29	C28	H282	H281	116.1°	90.0°
C28	C29	H292	H291	116.3°	90.0°
C28	C29	C30	H302	54.9°	90.0°
C28	C29	C30	H301	62.8°	90.0°
C29	C30	C31	H302	121.2°	90.0°
C29	C30	C31	H301	121.2°	90.0°
C29	C30	C31	C32	172.9°	90.0°
C30	C29	C28	H282	57.9°	90.0°
C30	C29	C28	H281	59.6°	90.0°
C30	C29	H292	H291	116.2°	90.0°
C29	C30	H302	H301	116.2°	90.0°
C29	C30	C31	H311	51.5°	90.0°
C29	C30	C31	H312	65.7°	90.0°
C30	C31	C32	H311	121.4°	90.0°
C30	C31	C32	H312	121.4°	90.0°
C31	C30	C29	H292	62.7°	90.0°
C31	C30	C29	H291	54.9°	90.0°
C31	C30	H302	H301	116.2°	90.0°
C30	C31	H311	H312	115.6°	90.0°
C30	C31	C32	H322	180.0°	90.0°
C30	C31	C32	H321	60.0°	90.0°
C30	C31	C32	H323	60.0°	90.0°
C32	C31	C30	H302	65.8°	90.0°
C32	C31	C30	H301	51.8°	90.0°
C32	C31	H311	H312	115.6°	90.0°
C31	C32	H322	H321	120.0°	90.0°
C31	C32	H322	H323	120.0°	90.0°
C31	C32	H321	H323	120.0°	90.0°
H101	C10	C11	H111	0.8°	90.0°
H111	C11	C13	H131	0.0°	90.0°
H162	C16	C28	H282	70.1°	90.0°
H162	C16	C28	H281	172.4°	90.0°
H161	C16	C28	H282	49.2°	90.0°
H161	C16	C28	H281	68.2°	90.0°
H282	C28	C29	H292	179.1°	90.0°
H282	C28	C29	H291	63.3°	90.0°
H281	C28	C29	H292	61.6°	90.0°
H281	C28	C29	H291	179.2°	90.0°
H292	C29	C30	H302	176.0°	90.0°
H292	C29	C30	H301	58.4°	90.0°
H291	C29	C30	H302	66.4°	90.0°
H291	C29	C30	H301	176.0°	90.0°
H302	C30	C31	H311	172.8°	90.0°
H302	C30	C31	H312	55.6°	90.0°
H301	C30	C31	H311	69.6°	90.0°
H301	C30	C31	H312	173.2°	90.0°
H311	C31	C32	H322	58.6°	90.0°
H311	C31	C32	H321	178.6°	90.0°
H311	C31	C32	H323	61.4°	90.0°
H312	C31	C32	H322	58.6°	90.0°
H312	C31	C32	H321	61.4°	90.0°
H312	C31	C32	H323	178.6°	90.0°
H322	C32	H321	H323	120.0°	90.0°

Release date:	2023-06-14
Definition date:	2023-05-09
Last modified:	2023-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	7FXZ