58U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C11	doub	1.21Å	1.25Å
O12	C11	sing	1.35Å	1.25Å
C11	C3	sing	1.49Å	1.45Å
C3	C2	sing	1.51Å	1.53Å
C3	O16	doub	1.21Å	1.21Å
C2	C1	sing	1.53Å	1.52Å
C1	C10	sing	1.53Å	1.52Å
C1	C5	sing	1.51Å	1.54Å
O4	C5	doub	1.21Å	1.23Å
C5	C6	sing	1.51Å	1.52Å
C6	C7	sing	1.51Å	1.50Å
C7	O14	doub	1.21Å	1.22Å
O12	H1	sing	0.97Å	0.95Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.08Å	1.08Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	C11	O12	120.6°	120.0°
O13	C11	C3	119.5°	120.0°
O12	C11	C3	119.9°	120.0°
C11	O12	H1	109.5°	117.0°
C11	C3	C2	119.5°	120.0°
C11	C3	O16	119.0°	120.0°
C2	C3	O16	121.5°	120.0°
C3	C2	C1	112.4°	109.5°
C3	C2	H5	108.7°	109.5°
C3	C2	H6	108.7°	109.5°
C2	C1	C10	108.2°	109.4°
C2	C1	C5	114.4°	109.5°
C1	C2	H5	108.8°	109.4°
C1	C2	H6	108.7°	109.4°
C2	C1	H7	108.7°	109.5°
C10	C1	C5	108.3°	109.5°
C10	C1	H7	108.7°	109.5°
C1	C10	H8	109.5°	109.4°
C1	C10	H9	109.4°	109.4°
C1	C10	H10	109.5°	109.5°
C1	C5	O4	123.1°	120.0°
C1	C5	C6	117.3°	120.0°
C5	C1	H7	108.5°	109.5°
O4	C5	C6	119.6°	120.0°
C5	C6	C7	108.0°	109.5°
C5	C6	H2	109.9°	109.5°
C5	C6	H3	109.9°	109.5°
C6	C7	O14	118.0°	120.0°
C7	C6	H2	109.8°	109.5°
C7	C6	H3	109.8°	109.4°
C6	C7	H4	121.0°	120.0°
O14	C7	H4	121.0°	119.9°
H2	C6	H3	109.4°	109.5°
H5	C2	H6	109.5°	109.5°
H8	C10	H9	109.5°	109.5°
H8	C10	H10	109.4°	109.5°
H9	C10	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C11	O12	C3	179.8°	180.0°
O13	C11	C3	C2	10.2°	0.1°
O13	C11	C3	O16	169.2°	180.0°
O13	C11	O12	H1	0.0°	0.0°
O12	C11	C3	C2	170.1°	180.0°
O12	C11	C3	O16	10.6°	0.0°
C11	C3	C2	O16	179.3°	180.0°
C11	C3	C2	C1	168.0°	180.0°
C3	C11	O12	H1	179.8°	180.0°
C11	C3	C2	H5	47.5°	60.0°
C11	C3	C2	H6	71.6°	60.1°
C3	C2	C1	H5	120.5°	120.1°
C3	C2	C1	H6	120.4°	120.0°
C3	C2	C1	C10	65.2°	65.0°
C3	C2	C1	C5	55.5°	175.0°
C3	C2	H5	H6	118.6°	120.1°
C3	C2	C1	H7	176.9°	55.0°
O16	C3	C2	C1	12.7°	0.0°
O16	C3	C2	H5	133.2°	120.0°
O16	C3	C2	H6	107.7°	120.0°
C2	C1	C10	C5	124.4°	120.0°
C2	C1	C10	H7	117.8°	120.0°
C2	C1	C5	H7	121.5°	120.0°
C2	C1	C5	O4	45.1°	30.0°
C2	C1	C5	C6	135.7°	150.0°
C1	C2	H5	H6	118.7°	119.9°
C2	C1	C10	H8	180.0°	180.0°
C2	C1	C10	H9	60.0°	60.0°
C2	C1	C10	H10	60.0°	60.0°
C10	C1	C5	H7	117.8°	120.0°
C10	C1	C5	O4	165.8°	90.0°
C10	C1	C5	C6	15.0°	90.0°
C10	C1	C2	H5	55.3°	175.0°
C10	C1	C2	H6	174.4°	55.0°
C1	C10	H8	H9	120.0°	119.9°
C1	C10	H8	H10	120.0°	120.0°
C1	C10	H9	H10	120.0°	120.0°
C1	C5	O4	C6	179.1°	180.0°
C1	C5	C6	C7	99.0°	180.0°
C1	C5	C6	H2	141.2°	60.0°
C1	C5	C6	H3	20.8°	60.0°
C5	C1	C2	H5	176.0°	55.0°
C5	C1	C2	H6	64.9°	65.0°
C5	C1	C10	H8	55.6°	60.0°
C5	C1	C10	H9	64.4°	60.0°
C5	C1	C10	H10	175.5°	180.0°
O4	C5	C6	C7	80.2°	0.0°
O4	C5	C6	H2	39.6°	120.0°
O4	C5	C6	H3	160.0°	120.0°
O4	C5	C1	H7	76.3°	150.0°
C5	C6	C7	H2	119.8°	120.0°
C5	C6	C7	H3	119.8°	120.0°
C5	C6	C7	O14	143.3°	125.0°
C5	C6	H2	H3	120.7°	120.0°
C5	C6	C7	H4	36.7°	54.9°
C6	C5	C1	H7	102.8°	30.0°
C6	C7	O14	H4	180.0°	179.9°
C7	C6	H2	H3	120.6°	119.9°
O14	C7	C6	H2	23.5°	5.0°
O14	C7	C6	H3	96.9°	115.0°
H2	C6	C7	H4	156.5°	175.0°
H3	C6	C7	H4	83.1°	65.0°
H5	C2	C1	H7	62.6°	65.1°
H6	C2	C1	H7	56.5°	175.0°
H7	C1	C10	H8	62.1°	60.0°
H7	C1	C10	H9	177.9°	180.0°
H7	C1	C10	H10	57.8°	60.0°
H8	C10	H9	H10	120.0°	120.0°

Release date:	2016-09-28
Definition date:	2015-08-25
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	5DC2