HDR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	0.00Å
C1	S1	sing	1.81Å	0.00Å
C1	H11	sing	1.09Å	0.00Å
C1	H12	sing	1.09Å	0.00Å
C2	C3	sing	1.53Å	0.00Å
C2	H21	sing	1.09Å	0.00Å
C2	H22	sing	1.09Å	0.00Å
C3	C4	sing	1.53Å	0.00Å
C3	H31	sing	1.09Å	0.00Å
C3	H32	sing	1.09Å	0.00Å
C4	C5	sing	1.53Å	0.00Å
C4	H41	sing	1.09Å	0.00Å
C4	H42	sing	1.09Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C5	H51	sing	1.09Å	0.00Å
C5	H52	sing	1.09Å	0.00Å
C6	C7	sing	1.53Å	0.00Å
C6	H61	sing	1.09Å	0.00Å
C6	H62	sing	1.09Å	0.00Å
C7	C8	sing	1.53Å	0.00Å
C7	H71	sing	1.09Å	0.00Å
C7	H72	sing	1.09Å	0.00Å
C8	C9	sing	1.53Å	0.00Å
C8	H81	sing	1.09Å	0.00Å
C8	H82	sing	1.09Å	0.00Å
C9	C10	sing	1.53Å	0.00Å
C9	H91	sing	1.09Å	0.00Å
C9	H92	sing	1.09Å	0.00Å
C10	C11	sing	1.53Å	0.00Å
C10	H101	sing	1.09Å	0.00Å
C10	H102	sing	1.09Å	0.00Å
C11	C12	sing	1.53Å	0.00Å
C11	H111	sing	1.09Å	0.00Å
C11	H112	sing	1.09Å	0.00Å
C12	C13	sing	1.53Å	0.00Å
C12	H121	sing	1.09Å	0.00Å
C12	H122	sing	1.09Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C13	H131	sing	1.09Å	0.00Å
C13	H132	sing	1.09Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C14	H141	sing	1.09Å	0.00Å
C14	H142	sing	1.09Å	0.00Å
C15	C16	sing	1.53Å	0.00Å
C15	H151	sing	1.09Å	0.00Å
C15	H152	sing	1.09Å	0.00Å
C16	H161	sing	1.09Å	0.00Å
C16	H162	sing	1.09Å	0.00Å
C16	H163	sing	1.09Å	0.00Å
S1	O1S	doub	1.42Å	0.00Å
S1	O2S	sing	1.52Å	0.00Å
O2S	HOS2	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	S1	90.0°	109.5°
C2	C1	H11	90.0°	109.5°
C2	C1	H12	90.0°	109.5°
C1	C2	C3	90.0°	109.4°
C1	C2	H21	90.0°	109.5°
C1	C2	H22	90.0°	109.5°
S1	C1	H11	90.0°	109.5°
S1	C1	H12	90.0°	109.4°
C1	S1	O1S	90.0°	109.5°
C1	S1	O2S	90.0°	100.0°
H11	C1	H12	90.0°	109.5°
C3	C2	H21	90.0°	109.4°
C3	C2	H22	90.0°	109.4°
C2	C3	C4	90.0°	109.4°
C2	C3	H31	90.0°	109.4°
C2	C3	H32	90.0°	109.5°
H21	C2	H22	90.0°	109.5°
C4	C3	H31	90.0°	109.5°
C4	C3	H32	90.0°	109.5°
C3	C4	C5	90.0°	109.4°
C3	C4	H41	90.0°	109.5°
C3	C4	H42	90.0°	109.5°
H31	C3	H32	90.0°	109.5°
C5	C4	H41	90.0°	109.4°
C5	C4	H42	90.0°	109.4°
C4	C5	C6	90.0°	109.4°
C4	C5	H51	90.0°	109.4°
C4	C5	H52	90.0°	109.5°
H41	C4	H42	90.0°	109.5°
C6	C5	H51	90.0°	109.5°
C6	C5	H52	90.0°	109.5°
C5	C6	C7	90.0°	109.5°
C5	C6	H61	90.0°	109.5°
C5	C6	H62	90.0°	109.5°
H51	C5	H52	90.0°	109.5°
C7	C6	H61	90.0°	109.4°
C7	C6	H62	90.0°	109.4°
C6	C7	C8	90.0°	109.5°
C6	C7	H71	90.0°	109.4°
C6	C7	H72	90.0°	109.4°
H61	C6	H62	90.0°	109.5°
C8	C7	H71	90.0°	109.5°
C8	C7	H72	90.0°	109.5°
C7	C8	C9	90.0°	109.5°
C7	C8	H81	90.0°	109.5°
C7	C8	H82	90.0°	109.5°
H71	C7	H72	90.0°	109.5°
C9	C8	H81	90.0°	109.4°
C9	C8	H82	90.0°	109.5°
C8	C9	C10	90.0°	109.5°
C8	C9	H91	90.0°	109.4°
C8	C9	H92	90.0°	109.4°
H81	C8	H82	90.0°	109.4°
C10	C9	H91	90.0°	109.5°
C10	C9	H92	90.0°	109.5°
C9	C10	C11	90.0°	109.4°
C9	C10	H101	90.0°	109.5°
C9	C10	H102	90.0°	109.5°
H91	C9	H92	90.0°	109.5°
C11	C10	H101	90.0°	109.4°
C11	C10	H102	90.0°	109.4°
C10	C11	C12	90.0°	109.5°
C10	C11	H111	90.0°	109.4°
C10	C11	H112	90.0°	109.4°
H101	C10	H102	90.0°	109.5°
C12	C11	H111	90.0°	109.5°
C12	C11	H112	90.0°	109.5°
C11	C12	C13	90.0°	109.5°
C11	C12	H121	90.0°	109.4°
C11	C12	H122	90.0°	109.5°
H111	C11	H112	90.0°	109.5°
C13	C12	H121	90.0°	109.5°
C13	C12	H122	90.0°	109.5°
C12	C13	C14	90.0°	109.5°
C12	C13	H131	90.0°	109.4°
C12	C13	H132	90.0°	109.5°
H121	C12	H122	90.0°	109.5°
C14	C13	H131	90.0°	109.5°
C14	C13	H132	90.0°	109.5°
C13	C14	C15	90.0°	109.5°
C13	C14	H141	90.0°	109.4°
C13	C14	H142	90.0°	109.5°
H131	C13	H132	90.0°	109.4°
C15	C14	H141	90.0°	109.5°
C15	C14	H142	90.0°	109.5°
C14	C15	C16	90.0°	109.5°
C14	C15	H151	90.0°	109.5°
C14	C15	H152	90.0°	109.5°
H141	C14	H142	90.0°	109.5°
C16	C15	H151	90.0°	109.4°
C16	C15	H152	90.0°	109.5°
C15	C16	H161	90.0°	109.5°
C15	C16	H162	90.0°	109.4°
C15	C16	H163	90.0°	109.5°
H151	C15	H152	90.0°	109.5°
H161	C16	H162	90.0°	109.5°
H161	C16	H163	90.0°	109.5°
H162	C16	H163	90.0°	109.5°
O1S	S1	O2S	90.0°	100.0°
S1	O2S	HOS2	90.0°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	S1	H11	90.0°	120.1°
C2	C1	S1	H12	90.0°	120.0°
C2	C1	H11	H12	90.0°	120.1°
C1	C2	C3	H21	90.0°	120.0°
C1	C2	C3	H22	90.0°	120.0°
C1	C2	H21	H22	90.0°	120.1°
C1	C2	C3	C4	90.0°	180.0°
C1	C2	C3	H31	90.0°	60.0°
C1	C2	C3	H32	90.0°	60.0°
C2	C1	S1	O1S	90.0°	75.5°
C2	C1	S1	O2S	90.0°	180.0°
S1	C1	H11	H12	90.0°	119.9°
S1	C1	C2	C3	90.0°	180.0°
S1	C1	C2	H21	90.0°	60.0°
S1	C1	C2	H22	90.0°	60.1°
C1	S1	O1S	O2S	90.0°	104.5°
C1	S1	O2S	HOS2	90.0°	180.0°
H11	C1	C2	C3	90.0°	60.0°
H11	C1	C2	H21	90.0°	180.0°
H11	C1	C2	H22	90.0°	59.9°
H11	C1	S1	O1S	90.0°	164.5°
H11	C1	S1	O2S	90.0°	60.0°
H12	C1	C2	C3	90.0°	60.0°
H12	C1	C2	H21	90.0°	59.9°
H12	C1	C2	H22	90.0°	NaN°
H12	C1	S1	O1S	90.0°	44.5°
H12	C1	S1	O2S	90.0°	60.0°
C3	C2	H21	H22	90.0°	120.0°
C2	C3	C4	H31	90.0°	120.0°
C2	C3	C4	H32	90.0°	120.0°
C2	C3	H31	H32	90.0°	120.0°
C2	C3	C4	C5	90.0°	180.0°
C2	C3	C4	H41	90.0°	60.0°
C2	C3	C4	H42	90.0°	60.0°
H21	C2	C3	C4	90.0°	60.0°
H21	C2	C3	H31	90.0°	180.0°
H21	C2	C3	H32	90.0°	60.0°
H22	C2	C3	C4	90.0°	60.0°
H22	C2	C3	H31	90.0°	60.0°
H22	C2	C3	H32	90.0°	180.0°
C4	C3	H31	H32	90.0°	120.1°
C3	C4	C5	H41	90.0°	120.0°
C3	C4	C5	H42	90.0°	120.0°
C3	C4	H41	H42	90.0°	120.1°
C3	C4	C5	C6	90.0°	180.0°
C3	C4	C5	H51	90.0°	60.0°
C3	C4	C5	H52	90.0°	60.0°
H31	C3	C4	C5	90.0°	60.0°
H31	C3	C4	H41	90.0°	180.0°
H31	C3	C4	H42	90.0°	59.9°
H32	C3	C4	C5	90.0°	60.0°
H32	C3	C4	H41	90.0°	59.9°
H32	C3	C4	H42	90.0°	180.0°
C5	C4	H41	H42	90.0°	120.0°
C4	C5	C6	H51	90.0°	120.0°
C4	C5	C6	H52	90.0°	120.0°
C4	C5	H51	H52	90.0°	120.0°
C4	C5	C6	C7	90.0°	180.0°
C4	C5	C6	H61	90.0°	60.0°
C4	C5	C6	H62	90.0°	60.0°
H41	C4	C5	C6	90.0°	60.0°
H41	C4	C5	H51	90.0°	180.0°
H41	C4	C5	H52	90.0°	60.0°
H42	C4	C5	C6	90.0°	60.0°
H42	C4	C5	H51	90.0°	60.0°
H42	C4	C5	H52	90.0°	180.0°
C6	C5	H51	H52	90.0°	120.1°
C5	C6	C7	H61	90.0°	120.0°
C5	C6	C7	H62	90.0°	120.0°
C5	C6	H61	H62	90.0°	120.1°
C5	C6	C7	C8	90.0°	180.0°
C5	C6	C7	H71	90.0°	60.0°
C5	C6	C7	H72	90.0°	60.0°
H51	C5	C6	C7	90.0°	60.1°
H51	C5	C6	H61	90.0°	180.0°
H51	C5	C6	H62	90.0°	59.9°
H52	C5	C6	C7	90.0°	60.0°
H52	C5	C6	H61	90.0°	59.9°
H52	C5	C6	H62	90.0°	180.0°
C7	C6	H61	H62	90.0°	119.9°
C6	C7	C8	H71	90.0°	120.0°
C6	C7	C8	H72	90.0°	120.0°
C6	C7	H71	H72	90.0°	119.9°
C6	C7	C8	C9	90.0°	NaN°
C6	C7	C8	H81	90.0°	60.0°
C6	C7	C8	H82	90.0°	60.0°
H61	C6	C7	C8	90.0°	60.0°
H61	C6	C7	H71	90.0°	180.0°
H61	C6	C7	H72	90.0°	60.0°
H62	C6	C7	C8	90.0°	60.0°
H62	C6	C7	H71	90.0°	60.0°
H62	C6	C7	H72	90.0°	180.0°
C8	C7	H71	H72	90.0°	120.1°
C7	C8	C9	H81	90.0°	120.0°
C7	C8	C9	H82	90.0°	120.1°
C7	C8	H81	H82	90.0°	120.1°
C7	C8	C9	C10	90.0°	180.0°
C7	C8	C9	H91	90.0°	60.0°
C7	C8	C9	H92	90.0°	60.0°
H71	C7	C8	C9	90.0°	60.0°
H71	C7	C8	H81	90.0°	180.0°
H71	C7	C8	H82	90.0°	60.0°
H72	C7	C8	C9	90.0°	60.0°
H72	C7	C8	H81	90.0°	60.0°
H72	C7	C8	H82	90.0°	180.0°
C9	C8	H81	H82	90.0°	119.9°
C8	C9	C10	H91	90.0°	119.9°
C8	C9	C10	H92	90.0°	120.0°
C8	C9	H91	H92	90.0°	119.9°
C8	C9	C10	C11	90.0°	180.0°
C8	C9	C10	H101	90.0°	60.1°
C8	C9	C10	H102	90.0°	60.0°
H81	C8	C9	C10	90.0°	60.0°
H81	C8	C9	H91	90.0°	180.0°
H81	C8	C9	H92	90.0°	60.1°
H82	C8	C9	C10	90.0°	59.9°
H82	C8	C9	H91	90.0°	60.1°
H82	C8	C9	H92	90.0°	180.0°
C10	C9	H91	H92	90.0°	120.1°
C9	C10	C11	H101	90.0°	120.0°
C9	C10	C11	H102	90.0°	120.0°
C9	C10	H101	H102	90.0°	120.1°
C9	C10	C11	C12	90.0°	180.0°
C9	C10	C11	H111	90.0°	60.0°
C9	C10	C11	H112	90.0°	60.0°
H91	C9	C10	C11	90.0°	60.0°
H91	C9	C10	H101	90.0°	NaN°
H91	C9	C10	H102	90.0°	59.9°
H92	C9	C10	C11	90.0°	60.0°
H92	C9	C10	H101	90.0°	59.9°
H92	C9	C10	H102	90.0°	180.0°
C11	C10	H101	H102	90.0°	120.0°
C10	C11	C12	H111	90.0°	120.0°
C10	C11	C12	H112	90.0°	120.0°
C10	C11	H111	H112	90.0°	120.0°
C10	C11	C12	C13	90.0°	180.0°
C10	C11	C12	H121	90.0°	60.0°
C10	C11	C12	H122	90.0°	60.0°
H101	C10	C11	C12	90.0°	60.0°
H101	C10	C11	H111	90.0°	180.0°
H101	C10	C11	H112	90.0°	60.0°
H102	C10	C11	C12	90.0°	60.0°
H102	C10	C11	H111	90.0°	60.0°
H102	C10	C11	H112	90.0°	180.0°
C12	C11	H111	H112	90.0°	120.1°
C11	C12	C13	H121	90.0°	120.0°
C11	C12	C13	H122	90.0°	120.0°
C11	C12	H121	H122	90.0°	120.0°
C11	C12	C13	C14	90.0°	180.0°
C11	C12	C13	H131	90.0°	60.0°
C11	C12	C13	H132	90.0°	60.0°
H111	C11	C12	C13	90.0°	60.0°
H111	C11	C12	H121	90.0°	180.0°
H111	C11	C12	H122	90.0°	60.0°
H112	C11	C12	C13	90.0°	60.0°
H112	C11	C12	H121	90.0°	60.0°
H112	C11	C12	H122	90.0°	180.0°
C13	C12	H121	H122	90.0°	120.0°
C12	C13	C14	H131	90.0°	120.0°
C12	C13	C14	H132	90.0°	120.1°
C12	C13	H131	H132	90.0°	120.0°
C12	C13	C14	C15	90.0°	NaN°
C12	C13	C14	H141	90.0°	60.0°
C12	C13	C14	H142	90.0°	60.0°
H121	C12	C13	C14	90.0°	60.1°
H121	C12	C13	H131	90.0°	179.9°
H121	C12	C13	H132	90.0°	60.0°
H122	C12	C13	C14	90.0°	60.0°
H122	C12	C13	H131	90.0°	60.0°
H122	C12	C13	H132	90.0°	180.0°
C14	C13	H131	H132	90.0°	120.0°
C13	C14	C15	H141	90.0°	120.0°
C13	C14	C15	H142	90.0°	120.0°
C13	C14	H141	H142	90.0°	119.9°
C13	C14	C15	C16	90.0°	180.0°
C13	C14	C15	H151	90.0°	60.1°
C13	C14	C15	H152	90.0°	60.0°
H131	C13	C14	C15	90.0°	60.0°
H131	C13	C14	H141	90.0°	180.0°
H131	C13	C14	H142	90.0°	60.0°
H132	C13	C14	C15	90.0°	59.9°
H132	C13	C14	H141	90.0°	60.1°
H132	C13	C14	H142	90.0°	180.0°
C15	C14	H141	H142	90.0°	120.0°
C14	C15	C16	H151	90.0°	120.0°
C14	C15	C16	H152	90.0°	120.0°
C14	C15	H151	H152	90.0°	120.0°
C14	C15	C16	H161	90.0°	60.0°
C14	C15	C16	H162	90.0°	60.0°
C14	C15	C16	H163	90.0°	180.0°
H141	C14	C15	C16	90.0°	60.0°
H141	C14	C15	H151	90.0°	180.0°
H141	C14	C15	H152	90.0°	60.0°
H142	C14	C15	C16	90.0°	60.0°
H142	C14	C15	H151	90.0°	60.0°
H142	C14	C15	H152	90.0°	180.0°
C16	C15	H151	H152	90.0°	120.0°
C15	C16	H161	H162	90.0°	120.0°
C15	C16	H161	H163	90.0°	120.0°
C15	C16	H162	H163	90.0°	120.0°
H151	C15	C16	H161	90.0°	60.0°
H151	C15	C16	H162	90.0°	180.0°
H151	C15	C16	H163	90.0°	60.0°
H152	C15	C16	H161	90.0°	180.0°
H152	C15	C16	H162	90.0°	60.0°
H152	C15	C16	H163	90.0°	60.0°
H161	C16	H162	H163	90.0°	120.1°
O1S	S1	O2S	HOS2	90.0°	67.9°

Release date:	2018-11-07
Definition date:	2000-05-10
Last modified:	2018-11-02
Release status:	REL
Processing site:	RCSB