Obsolete: TTH

TTH was replaced with GER on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C18	sing	0.00Å	1.51Å
C20	H201	sing	0.00Å	1.12Å
C20	H202	sing	0.00Å	1.11Å
C20	H203	sing	0.00Å	1.12Å
C19	C18	sing	0.00Å	1.51Å
C19	H191	sing	0.00Å	1.11Å
C19	H192	sing	0.00Å	1.12Å
C19	H193	sing	0.00Å	1.11Å
C18	C17	doub	0.00Å	1.37Å
C17	C16	sing	0.00Å	1.51Å
C17	H17	sing	0.00Å	1.10Å
C16	C15	sing	0.00Å	1.51Å
C16	H161	sing	0.00Å	1.12Å
C16	H162	sing	0.00Å	1.11Å
C14	C13	sing	0.00Å	1.50Å
C14	H141	sing	0.00Å	1.11Å
C14	H142	sing	0.00Å	1.11Å
C14	H143	sing	0.00Å	1.12Å
C13	C15	sing	0.00Å	1.52Å
C13	C12	doub	0.00Å	1.37Å
C15	H151	sing	0.00Å	1.12Å
C15	H152	sing	0.00Å	1.12Å
C12	C11	sing	0.00Å	1.51Å
C12	H12	sing	0.00Å	1.10Å
C11	C9	sing	0.00Å	1.54Å
C11	H111	sing	0.00Å	1.11Å
C11	H112	sing	0.00Å	1.11Å
C9	C8	sing	0.00Å	1.51Å
C9	HC91	sing	0.00Å	1.12Å
C9	HC92	sing	0.00Å	1.12Å
C8	C10	sing	0.00Å	1.51Å
C8	C7	doub	0.00Å	1.36Å
C10	H101	sing	0.00Å	1.11Å
C10	H102	sing	0.00Å	1.12Å
C10	H103	sing	0.00Å	1.12Å
C7	C6	sing	0.00Å	1.52Å
C7	HC7	sing	0.00Å	1.10Å
C6	C5	sing	0.00Å	1.54Å
C6	HC61	sing	0.00Å	1.11Å
C6	HC62	sing	0.00Å	1.12Å
C5	C3	sing	0.00Å	1.53Å
C5	HC51	sing	0.00Å	1.12Å
C5	HC52	sing	0.00Å	1.11Å
C3	C4	sing	0.00Å	1.51Å
C3	C2	doub	0.00Å	1.36Å
C4	HC41	sing	0.00Å	1.11Å
C4	HC42	sing	0.00Å	1.11Å
C4	HC43	sing	0.00Å	1.12Å
C2	C1	sing	0.00Å	1.53Å
C2	HC2	sing	0.00Å	1.10Å
C1	HC11	sing	0.00Å	1.11Å
C1	HC12	sing	0.00Å	1.11Å
C1	HC13	sing	0.00Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C20	H201	113.1°	90.0°
C18	C20	H202	110.9°	90.0°
C18	C20	H203	110.9°	90.0°
C20	C18	C19	113.1°	90.0°
C20	C18	C17	122.3°	90.0°
H201	C20	H202	110.9°	90.0°
H201	C20	H203	110.8°	90.0°
H202	C20	H203	99.4°	90.0°
C18	C19	H191	113.1°	90.0°
C18	C19	H192	110.8°	90.0°
C18	C19	H193	110.9°	90.0°
C19	C18	C17	124.6°	90.0°
H191	C19	H192	110.9°	90.0°
H191	C19	H193	110.9°	90.0°
H192	C19	H193	99.4°	90.0°
C18	C17	C16	125.9°	90.0°
C18	C17	H17	111.4°	90.0°
C16	C17	H17	122.8°	90.0°
C17	C16	C15	112.5°	90.0°
C17	C16	H161	111.1°	90.0°
C17	C16	H162	111.1°	90.0°
C15	C16	H161	111.1°	90.0°
C15	C16	H162	111.1°	90.0°
C16	C15	C13	115.2°	90.0°
C16	C15	H151	110.1°	90.0°
C16	C15	H152	110.1°	90.0°
H161	C16	H162	99.3°	90.0°
C13	C14	H141	112.7°	90.0°
C13	C14	H142	111.0°	90.0°
C13	C14	H143	111.0°	90.0°
C14	C13	C15	112.7°	90.0°
C14	C13	C12	124.2°	90.0°
H141	C14	H142	111.1°	90.0°
H141	C14	H143	111.1°	90.0°
H142	C14	H143	99.3°	90.0°
C15	C13	C12	123.2°	90.0°
C13	C15	H151	110.2°	90.0°
C13	C15	H152	110.2°	90.0°
C13	C12	C11	126.4°	90.0°
C13	C12	H12	111.0°	90.0°
H151	C15	H152	100.0°	90.0°
C11	C12	H12	122.6°	90.0°
C12	C11	C9	111.5°	90.0°
C12	C11	H111	111.4°	90.0°
C12	C11	H112	111.4°	90.0°
C9	C11	H111	111.5°	90.0°
C9	C11	H112	111.4°	90.0°
C11	C9	C8	116.8°	90.0°
C11	C9	HC91	109.6°	90.0°
C11	C9	HC92	109.6°	90.0°
H111	C11	H112	99.0°	90.0°
C8	C9	HC91	109.6°	90.0°
C8	C9	HC92	109.6°	90.0°
C9	C8	C10	114.7°	90.0°
C9	C8	C7	121.6°	90.0°
HC91	C9	HC92	100.6°	90.0°
C10	C8	C7	123.7°	90.0°
C8	C10	H101	114.8°	90.0°
C8	C10	H102	110.3°	90.0°
C8	C10	H103	110.3°	90.0°
C8	C7	C6	125.7°	90.0°
C8	C7	HC7	111.2°	90.0°
H101	C10	H102	110.3°	90.0°
H101	C10	H103	110.2°	90.0°
H102	C10	H103	99.9°	90.0°
C6	C7	HC7	123.1°	90.0°
C7	C6	C5	113.9°	90.0°
C7	C6	HC61	110.6°	90.0°
C7	C6	HC62	110.6°	90.0°
C5	C6	HC61	110.6°	90.0°
C5	C6	HC62	110.6°	90.0°
C6	C5	C3	115.8°	90.0°
C6	C5	HC51	109.9°	90.0°
C6	C5	HC52	109.9°	90.0°
HC61	C6	HC62	99.7°	90.0°
C3	C5	HC51	109.9°	90.0°
C3	C5	HC52	109.9°	90.0°
C5	C3	C4	115.3°	90.0°
C5	C3	C2	122.0°	90.0°
HC51	C5	HC52	100.3°	90.0°
C4	C3	C2	122.7°	90.0°
C3	C4	HC41	115.3°	90.0°
C3	C4	HC42	110.1°	90.0°
C3	C4	HC43	110.1°	90.0°
C3	C2	C1	126.2°	90.0°
C3	C2	HC2	110.2°	90.0°
HC41	C4	HC42	110.1°	90.0°
HC41	C4	HC43	110.1°	90.0°
HC42	C4	HC43	100.1°	90.0°
C1	C2	HC2	123.6°	90.0°
C2	C1	HC11	126.2°	90.0°
C2	C1	HC12	106.3°	90.0°
C2	C1	HC13	106.3°	90.0°
HC11	C1	HC12	106.3°	90.0°
HC11	C1	HC13	106.3°	90.0°
HC12	C1	HC13	103.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C20	H201	H202	125.3°	90.0°
C18	C20	H201	H203	125.3°	90.0°
C18	C20	H202	H203	116.8°	90.0°
C20	C18	C19	C17	179.8°	90.0°
C20	C18	C19	H191	180.0°	90.0°
C20	C18	C19	H192	54.7°	90.0°
C20	C18	C19	H193	54.7°	90.0°
C20	C18	C17	C16	179.7°	90.0°
C20	C18	C17	H17	0.4°	90.0°
H201	C20	H202	H203	116.6°	90.0°
H201	C20	C18	C19	180.0°	90.0°
H201	C20	C18	C17	0.2°	90.0°
H202	C20	C18	C19	54.7°	90.0°
H202	C20	C18	C17	125.1°	90.0°
H203	C20	C18	C19	54.8°	90.0°
H203	C20	C18	C17	125.4°	90.0°
C18	C19	H191	H192	125.2°	90.0°
C18	C19	H191	H193	125.3°	90.0°
C18	C19	H192	H193	116.7°	90.0°
C19	C18	C17	C16	0.1°	90.0°
C19	C18	C17	H17	179.8°	90.0°
H191	C19	H192	H193	116.8°	90.0°
H191	C19	C18	C17	0.2°	90.0°
H192	C19	C18	C17	125.5°	90.0°
H193	C19	C18	C17	125.1°	90.0°
C18	C17	C16	H17	180.0°	90.0°
C18	C17	C16	C15	179.8°	90.0°
C18	C17	C16	H161	54.6°	90.0°
C18	C17	C16	H162	54.9°	90.0°
C17	C16	C15	H161	125.2°	90.0°
C17	C16	C15	H162	125.2°	90.0°
C17	C16	H161	H162	117.0°	90.0°
C17	C16	C15	C13	154.2°	90.0°
C17	C16	C15	H151	80.5°	90.0°
C17	C16	C15	H152	28.9°	90.0°
H17	C17	C16	C15	0.1°	90.0°
H17	C17	C16	H161	125.4°	90.0°
H17	C17	C16	H162	125.1°	90.0°
C15	C16	H161	H162	117.0°	90.0°
C16	C15	C13	C14	143.4°	90.0°
C16	C15	C13	H151	125.3°	90.0°
C16	C15	C13	H152	125.3°	90.0°
C16	C15	C13	C12	36.8°	90.0°
C16	C15	H151	H152	115.9°	90.0°
H161	C16	C15	C13	28.9°	90.0°
H161	C16	C15	H151	154.2°	90.0°
H161	C16	C15	H152	96.4°	90.0°
H162	C16	C15	C13	80.6°	90.0°
H162	C16	C15	H151	44.7°	90.0°
H162	C16	C15	H152	154.1°	90.0°
C13	C14	H141	H142	125.3°	90.0°
C13	C14	H141	H143	125.2°	90.0°
C13	C14	H142	H143	116.9°	90.0°
C14	C13	C15	C12	179.8°	90.0°
C14	C13	C15	H151	18.2°	90.0°
C14	C13	C15	H152	91.3°	90.0°
C14	C13	C12	C11	0.2°	90.0°
C14	C13	C12	H12	179.8°	90.0°
H141	C14	H142	H143	117.0°	90.0°
H141	C14	C13	C15	180.0°	90.0°
H141	C14	C13	C12	0.2°	90.0°
H142	C14	C13	C15	54.7°	90.0°
H142	C14	C13	C12	125.5°	90.0°
H143	C14	C13	C15	54.7°	90.0°
H143	C14	C13	C12	125.0°	90.0°
C13	C15	H151	H152	116.0°	90.0°
C15	C13	C12	C11	180.0°	90.0°
C15	C13	C12	H12	0.0°	90.0°
C12	C13	C15	H151	162.1°	90.0°
C12	C13	C15	H152	88.5°	90.0°
C13	C12	C11	H12	180.0°	90.0°
C13	C12	C11	C9	179.9°	90.0°
C13	C12	C11	H111	54.9°	90.0°
C13	C12	C11	H112	54.6°	90.0°
C12	C11	C9	H111	125.2°	90.0°
C12	C11	C9	H112	125.2°	90.0°
C12	C11	H111	H112	117.3°	90.0°
C12	C11	C9	C8	179.7°	90.0°
C12	C11	C9	HC91	54.4°	90.0°
C12	C11	C9	HC92	55.0°	90.0°
H12	C12	C11	C9	0.1°	90.0°
H12	C12	C11	H111	125.2°	90.0°
H12	C12	C11	H112	125.3°	90.0°
C9	C11	H111	H112	117.4°	90.0°
C11	C9	C8	HC91	125.3°	90.0°
C11	C9	C8	HC92	125.3°	90.0°
C11	C9	HC91	HC92	115.3°	90.0°
C11	C9	C8	C10	30.9°	90.0°
C11	C9	C8	C7	149.5°	90.0°
H111	C11	C9	C8	55.1°	90.0°
H111	C11	C9	HC91	179.7°	90.0°
H111	C11	C9	HC92	70.2°	90.0°
H112	C11	C9	C8	54.5°	90.0°
H112	C11	C9	HC91	70.8°	90.0°
H112	C11	C9	HC92	179.8°	90.0°
C8	C9	HC91	HC92	115.4°	90.0°
C9	C8	C10	C7	179.5°	90.0°
C9	C8	C10	H101	179.9°	90.0°
C9	C8	C10	H102	54.7°	90.0°
C9	C8	C10	H103	54.7°	90.0°
C9	C8	C7	C6	179.7°	90.0°
C9	C8	C7	HC7	0.2°	90.0°
HC91	C9	C8	C10	94.3°	90.0°
HC91	C9	C8	C7	85.2°	90.0°
HC92	C9	C8	C10	156.2°	90.0°
HC92	C9	C8	C7	24.2°	90.0°
C8	C10	H101	H102	125.3°	90.0°
C8	C10	H101	H103	125.2°	90.0°
C8	C10	H102	H103	116.1°	90.0°
C10	C8	C7	C6	0.2°	90.0°
C10	C8	C7	HC7	179.7°	90.0°
C7	C8	C10	H101	0.4°	90.0°
C7	C8	C10	H102	125.8°	90.0°
C7	C8	C10	H103	124.8°	90.0°
C8	C7	C6	HC7	180.0°	90.0°
C8	C7	C6	C5	177.4°	90.0°
C8	C7	C6	HC61	52.2°	90.0°
C8	C7	C6	HC62	57.3°	90.0°
H101	C10	H102	H103	116.1°	90.0°
C7	C6	C5	HC61	125.3°	90.0°
C7	C6	C5	HC62	125.2°	90.0°
C7	C6	HC61	HC62	116.4°	90.0°
C7	C6	C5	C3	176.4°	90.0°
C7	C6	C5	HC51	51.1°	90.0°
C7	C6	C5	HC52	58.3°	90.0°
HC7	C7	C6	C5	2.6°	90.0°
HC7	C7	C6	HC61	127.9°	90.0°
HC7	C7	C6	HC62	122.6°	90.0°
C5	C6	HC61	HC62	116.4°	90.0°
C6	C5	C3	HC51	125.3°	90.0°
C6	C5	C3	HC52	125.3°	90.0°
C6	C5	HC51	HC52	115.7°	90.0°
C6	C5	C3	C4	35.7°	90.0°
C6	C5	C3	C2	145.0°	90.0°
HC61	C6	C5	C3	58.4°	90.0°
HC61	C6	C5	HC51	176.4°	90.0°
HC61	C6	C5	HC52	66.9°	90.0°
HC62	C6	C5	C3	51.1°	90.0°
HC62	C6	C5	HC51	74.1°	90.0°
HC62	C6	C5	HC52	176.4°	90.0°
C3	C5	HC51	HC52	115.7°	90.0°
C5	C3	C4	C2	179.3°	90.0°
C5	C3	C4	HC41	180.0°	90.0°
C5	C3	C4	HC42	54.7°	90.0°
C5	C3	C4	HC43	54.7°	90.0°
C5	C3	C2	C1	179.2°	90.0°
C5	C3	C2	HC2	0.8°	90.0°
HC51	C5	C3	C4	161.0°	90.0°
HC51	C5	C3	C2	19.7°	90.0°
HC52	C5	C3	C4	89.6°	90.0°
HC52	C5	C3	C2	89.8°	90.0°
C3	C4	HC41	HC42	125.3°	90.0°
C3	C4	HC41	HC43	125.2°	90.0°
C3	C4	HC42	HC43	115.9°	90.0°
C4	C3	C2	C1	0.1°	90.0°
C4	C3	C2	HC2	179.9°	90.0°
C2	C3	C4	HC41	0.7°	90.0°
C2	C3	C4	HC42	124.6°	90.0°
C2	C3	C4	HC43	125.9°	90.0°
C3	C2	C1	HC2	180.0°	90.0°
C3	C2	C1	HC11	180.0°	90.0°
C3	C2	C1	HC12	54.7°	90.0°
C3	C2	C1	HC13	54.8°	90.0°
HC41	C4	HC42	HC43	115.9°	90.0°
C2	C1	HC11	HC12	125.3°	90.0°
C2	C1	HC11	HC13	125.2°	90.0°
C2	C1	HC12	HC13	111.6°	90.0°
HC2	C2	C1	HC11	0.0°	90.0°
HC2	C2	C1	HC12	125.3°	90.0°
HC2	C2	C1	HC13	125.2°	90.0°
HC11	C1	HC12	HC13	111.7°	90.0°

Definition date:	2002-11-20
Last modified:	2009-05-01
Release status:	OBS
Processing site:	RCSB
Replaced by:	GER
Derived from:	1N4P