A1CCW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C37	sing	1.53Å	1.53Å
C17	O16	sing	1.43Å	1.47Å
C37	C11	sing	1.53Å	1.49Å
C37	O38	sing	1.45Å	1.43Å
O41	C39	doub	1.21Å	1.19Å
C11	O10	sing	1.43Å	1.46Å
C11	C12	sing	1.53Å	1.48Å
O16	C14	sing	1.43Å	1.51Å
C14	C12	sing	1.53Å	1.53Å
C14	C15	sing	1.53Å	1.49Å
C12	O13	sing	1.43Å	1.44Å
C39	O38	sing	1.34Å	1.40Å
C39	C40	sing	1.51Å	1.52Å
C15	H151	sing	1.09Å	1.10Å
C15	H153	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C17	O1	sing	1.43Å	1.07Å
C17	H171	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C37	H371	sing	1.09Å	1.10Å
C40	H402	sing	1.09Å	1.10Å
C40	H403	sing	1.09Å	1.10Å
C40	H401	sing	1.09Å	1.10Å
O10	H2	sing	0.97Å	0.95Å
O13	H131	sing	0.97Å	0.95Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C37	C17	O16	112.7°	109.4°
C17	C37	C11	110.8°	109.2°
C17	C37	O38	106.2°	109.6°
C37	C17	O1	109.7°	109.5°
C37	C17	H171	105.7°	109.5°
C17	C37	H371	108.9°	109.5°
C17	O16	C14	111.8°	114.1°
O16	C17	O1	109.7°	109.5°
O16	C17	H171	106.4°	109.5°
C11	C37	O38	111.3°	109.5°
C37	C11	O10	105.7°	109.6°
C37	C11	C12	114.9°	109.0°
C37	C11	H111	108.2°	109.6°
C11	C37	H371	109.3°	109.5°
C37	O38	C39	115.2°	117.0°
O38	C37	H371	110.2°	109.6°
O41	C39	O38	122.5°	120.0°
O41	C39	C40	117.7°	120.0°
O10	C11	C12	111.1°	109.6°
O10	C11	H111	108.5°	109.6°
C11	O10	H2	109.5°	114.0°
C11	C12	C14	110.7°	109.2°
C11	C12	O13	112.9°	109.5°
C12	C11	H111	108.3°	109.5°
C11	C12	H121	108.1°	109.5°
O16	C14	C12	112.4°	109.4°
O16	C14	C15	108.4°	109.5°
O16	C14	H141	109.0°	109.4°
C12	C14	C15	109.2°	109.5°
C14	C12	O13	108.7°	109.5°
C14	C12	H121	107.5°	109.5°
C12	C14	H141	108.7°	109.5°
C14	C15	H151	109.5°	109.4°
C14	C15	H153	109.5°	109.5°
C14	C15	H152	109.5°	109.5°
C15	C14	H141	109.2°	109.5°
O13	C12	H121	108.7°	109.6°
C12	O13	H131	109.5°	114.0°
O38	C39	C40	119.9°	120.0°
C39	C40	H402	109.5°	109.5°
C39	C40	H403	109.5°	109.5°
C39	C40	H401	109.4°	109.5°
H151	C15	H153	109.5°	109.5°
H151	C15	H152	109.4°	109.4°
H153	C15	H152	109.5°	109.5°
O1	C17	H171	112.7°	109.5°
C17	O1	H1	109.5°	114.1°
H402	C40	H403	109.5°	109.4°
H402	C40	H401	109.5°	109.4°
H403	C40	H401	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C37	C17	O16	O1	122.5°	120.0°
C37	C17	O16	H171	115.3°	120.0°
C17	C37	C11	O38	118.0°	120.0°
C17	C37	C11	H371	120.0°	119.9°
C17	C37	O38	H371	117.8°	120.2°
C17	C37	C11	O10	174.5°	176.9°
C17	C37	C11	C12	51.7°	57.0°
C37	C17	O16	C14	54.0°	61.2°
C17	C37	O38	C39	96.0°	90.0°
C37	C17	O1	H171	117.4°	120.0°
C17	C37	C11	H111	69.4°	62.9°
C37	C17	O1	H1	180.0°	180.0°
O16	C17	C37	C11	52.2°	57.6°
O16	C17	C37	O38	68.8°	62.3°
C17	O16	C14	C12	54.0°	61.1°
C17	O16	C14	C15	174.7°	178.8°
O16	C17	O1	H171	118.3°	120.0°
C17	O16	C14	H141	66.5°	58.8°
O16	C17	C37	H371	172.5°	177.5°
O16	C17	O1	H1	55.7°	60.0°
C11	C37	O38	H371	121.5°	120.1°
C37	C11	O10	C12	125.2°	119.6°
C37	C11	O10	H111	115.9°	120.2°
C37	C11	C12	H111	121.0°	119.9°
C37	C11	C12	C14	51.8°	56.9°
C37	C11	C12	O13	70.4°	62.9°
C11	C37	O38	C39	143.4°	150.3°
C11	C37	C17	O1	70.4°	62.4°
C11	C37	C17	H171	167.9°	177.6°
C37	C11	C12	H121	169.3°	176.9°
C37	C11	O10	H2	180.0°	179.6°
C37	O38	C39	O41	5.9°	0.0°
O38	C37	C11	O10	56.6°	56.9°
O38	C37	C11	C12	66.2°	63.0°
C37	O38	C39	C40	175.1°	180.0°
O38	C37	C17	O1	168.7°	177.7°
O38	C37	C17	H171	46.9°	57.7°
O38	C37	C11	H111	172.7°	177.2°
O41	C39	O38	C40	179.1°	180.0°
O41	C39	C40	H402	0.0°	90.0°
O41	C39	C40	H403	120.0°	30.0°
O41	C39	C40	H401	120.0°	150.0°
O10	C11	C12	H111	119.1°	120.2°
O10	C11	C12	C14	171.7°	176.8°
O10	C11	C12	O13	49.5°	56.9°
O10	C11	C12	H121	70.8°	63.2°
O10	C11	C37	H371	65.4°	63.2°
C11	C12	C14	O16	51.8°	57.6°
C11	C12	C14	O13	124.6°	119.9°
C11	C12	C14	H121	117.9°	119.9°
C11	C12	C14	C15	172.1°	177.6°
C11	C12	O13	H121	120.0°	120.2°
C11	C12	C14	H141	68.9°	62.4°
C12	C11	C37	H371	171.8°	176.9°
C12	C11	O10	H2	54.8°	60.0°
C11	C12	O13	H131	180.0°	180.0°
O16	C14	C12	C15	120.3°	120.0°
O16	C14	C12	H141	120.7°	119.9°
O16	C14	C15	H141	118.6°	120.0°
O16	C14	C12	O13	72.8°	62.3°
O16	C14	C15	H151	180.0°	60.0°
O16	C14	C15	H153	60.0°	60.0°
O16	C14	C15	H152	60.0°	180.0°
C14	O16	C17	O1	68.5°	58.9°
C14	O16	C17	H171	169.4°	178.9°
O16	C14	C12	H121	169.7°	177.5°
C12	C14	C15	H141	118.7°	120.0°
C14	C12	O13	H121	116.7°	120.2°
C12	C14	C15	H151	57.3°	60.0°
C12	C14	C15	H153	62.7°	180.0°
C12	C14	C15	H152	177.3°	60.0°
C14	C12	C11	H111	69.2°	62.9°
C14	C12	O13	H131	56.7°	60.3°
C15	C14	C12	O13	47.5°	57.7°
C14	C15	H151	H153	120.0°	120.0°
C14	C15	H151	H152	120.0°	120.0°
C14	C15	H153	H152	120.0°	120.1°
C15	C14	C12	H121	70.0°	62.5°
O13	C12	C11	H111	168.6°	177.2°
O13	C12	C14	H141	166.5°	177.8°
C39	O38	C37	H371	21.9°	30.2°
O38	C39	C40	H402	179.1°	90.0°
O38	C39	C40	H403	60.8°	150.0°
O38	C39	C40	H401	59.1°	30.0°
C39	C40	H402	H403	120.0°	120.0°
C39	C40	H402	H401	120.0°	120.1°
C39	C40	H403	H401	120.0°	120.1°
H151	C15	H153	H152	120.0°	119.9°
H151	C15	C14	H141	61.4°	180.0°
H153	C15	C14	H141	178.6°	60.0°
H152	C15	C14	H141	58.6°	60.1°
O1	C17	C37	H371	49.9°	57.5°
H171	C17	C37	H371	71.8°	62.5°
H171	C17	O1	H1	62.6°	60.0°
H111	C11	C12	H121	48.3°	57.0°
H111	C11	C37	H371	50.7°	57.0°
H111	C11	O10	H2	64.1°	60.2°
H121	C12	C14	H141	49.1°	57.6°
H121	C12	O13	H131	60.0°	59.8°
H402	C40	H403	H401	120.0°	119.9°

Release date:	2025-10-29
Definition date:	2025-05-14
Last modified:	2025-12-04
Release status:	REL
Processing site:	RCSB
Derived from:	9OML