TCM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.56Å
C1	C6	sing	1.58Å	1.59Å
C1	C7	sing	1.57Å	1.59Å
C1	C10	sing	1.53Å	1.50Å
C2	C3	sing	1.53Å	1.55Å
C2	S2	doub	1.60Å	1.23Å
C3	C4	sing	1.56Å	1.57Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.56Å	1.58Å
C4	C7	sing	1.57Å	1.57Å
C4	H4	sing	1.09Å	1.11Å
C5	C6	sing	1.55Å	1.58Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.12Å
C7	C8	sing	1.53Å	1.54Å
C7	C9	sing	1.53Å	1.54Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.12Å
C8	H83	sing	1.09Å	1.11Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.12Å
C9	H93	sing	1.09Å	1.12Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.12Å
C10	H103	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	106.8°	104.6°
C2	C1	C7	100.9°	101.6°
C2	C1	C10	117.3°	116.5°
C1	C2	C3	106.1°	104.9°
C1	C2	S2	128.2°	127.3°
C6	C1	C7	102.0°	99.9°
C6	C1	C10	110.1°	115.8°
C1	C6	C5	103.5°	104.5°
C1	C6	H61	114.5°	110.9°
C1	C6	H62	114.4°	110.2°
C7	C1	C10	118.1°	116.1°
C1	C7	C4	91.7°	95.8°
C1	C7	C8	117.3°	112.0°
C1	C7	C9	117.1°	112.1°
C1	C10	H101	117.3°	109.4°
C1	C10	H102	109.4°	109.5°
C1	C10	H103	109.4°	109.5°
C3	C2	S2	125.7°	127.7°
C2	C3	C4	100.6°	104.9°
C2	C3	H31	115.6°	110.3°
C2	C3	H32	115.6°	110.3°
C4	C3	H31	115.6°	109.2°
C4	C3	H32	115.6°	111.6°
C3	C4	C5	108.2°	105.1°
C3	C4	C7	104.3°	100.3°
C3	C4	H4	111.8°	116.1°
H31	C3	H32	94.9°	110.4°
C5	C4	C7	103.5°	100.6°
C5	C4	H4	112.4°	116.1°
C4	C5	C6	101.7°	104.4°
C4	C5	H51	115.2°	110.5°
C4	C5	H52	115.2°	110.4°
C7	C4	H4	115.9°	116.4°
C4	C7	C8	116.0°	112.1°
C4	C7	C9	118.1°	112.1°
C6	C5	H51	115.1°	110.4°
C6	C5	H52	115.1°	110.4°
C5	C6	H61	114.5°	110.4°
C5	C6	H62	114.5°	110.4°
H51	C5	H52	95.3°	110.5°
H61	C6	H62	95.9°	110.4°
C8	C7	C9	98.3°	111.8°
C7	C8	H81	117.3°	109.4°
C7	C8	H82	109.4°	109.4°
C7	C8	H83	109.4°	109.5°
C7	C9	H91	117.1°	109.5°
C7	C9	H92	109.5°	109.5°
C7	C9	H93	109.4°	109.4°
H81	C8	H82	109.4°	109.5°
H81	C8	H83	109.5°	109.5°
H82	C8	H83	100.8°	109.5°
H91	C9	H92	109.5°	109.4°
H91	C9	H93	109.4°	109.5°
H92	C9	H93	100.6°	109.5°
H101	C10	H102	109.3°	109.5°
H101	C10	H103	109.4°	109.4°
H102	C10	H103	100.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	105.5°	104.9°
C2	C1	C6	C10	128.3°	129.6°
C2	C1	C7	C10	129.2°	127.4°
C1	C2	C3	S2	177.8°	179.4°
C1	C2	C3	C4	0.7°	1.1°
C1	C2	C3	H31	125.9°	118.6°
C1	C2	C3	H32	124.6°	119.2°
C2	C1	C7	C4	54.4°	52.8°
C2	C1	C6	C5	69.8°	70.5°
C2	C1	C6	H61	55.5°	170.6°
C2	C1	C6	H62	164.9°	48.1°
C2	C1	C7	C8	66.2°	63.8°
C2	C1	C7	C9	177.3°	169.5°
C2	C1	C10	H101	180.0°	62.6°
C2	C1	C10	H102	54.8°	57.4°
C2	C1	C10	H103	54.7°	177.5°
C6	C1	C7	C10	120.8°	125.3°
C6	C1	C2	C3	70.2°	70.8°
C6	C1	C2	S2	112.1°	109.8°
C1	C6	C5	C4	0.4°	0.1°
C6	C1	C7	C4	55.6°	54.4°
C1	C6	C5	H61	125.3°	119.3°
C1	C6	C5	H62	125.3°	118.4°
C1	C6	C5	H51	124.9°	118.9°
C1	C6	C5	H52	125.7°	118.7°
C1	C6	H61	H62	120.3°	122.4°
C6	C1	C7	C8	176.2°	171.1°
C6	C1	C7	C9	67.3°	62.3°
C6	C1	C10	H101	57.7°	61.1°
C6	C1	C10	H102	67.6°	179.0°
C6	C1	C10	H103	177.1°	58.9°
C7	C1	C2	C3	36.1°	32.7°
C7	C1	C2	S2	141.7°	146.6°
C1	C7	C4	C3	56.2°	52.8°
C1	C7	C4	C5	56.9°	54.9°
C1	C7	C4	C8	121.6°	116.6°
C1	C7	C4	C9	122.2°	116.7°
C1	C7	C4	H4	179.5°	178.8°
C7	C1	C6	C5	35.7°	34.4°
C7	C1	C6	H61	161.0°	84.5°
C7	C1	C6	H62	89.6°	153.0°
C1	C7	C8	C9	126.4°	126.8°
C1	C7	C8	H81	180.0°	173.9°
C1	C7	C8	H82	54.8°	66.1°
C1	C7	C8	H83	54.7°	53.9°
C1	C7	C9	H91	180.0°	173.9°
C1	C7	C9	H92	54.7°	53.9°
C1	C7	C9	H93	54.7°	66.1°
C7	C1	C10	H101	58.9°	177.8°
C7	C1	C10	H102	175.9°	62.3°
C7	C1	C10	H103	66.4°	57.8°
C10	C1	C2	C3	165.8°	159.9°
C10	C1	C2	S2	11.9°	19.4°
C10	C1	C7	C4	176.4°	179.7°
C10	C1	C6	C5	161.9°	159.9°
C10	C1	C6	H61	72.8°	41.0°
C10	C1	C6	H62	36.6°	81.5°
C10	C1	C7	C8	63.0°	63.6°
C10	C1	C7	C9	53.4°	63.0°
C1	C10	H101	H102	125.3°	120.0°
C1	C10	H101	H103	125.3°	120.0°
C1	C10	H102	H103	115.2°	120.1°
C2	C3	C4	H31	125.2°	118.3°
C2	C3	C4	H32	125.2°	119.4°
C2	C3	H31	H32	121.5°	122.2°
C2	C3	C4	C5	73.7°	69.7°
C2	C3	C4	C7	36.0°	34.3°
C2	C3	C4	H4	162.0°	160.6°
S2	C2	C3	C4	177.2°	179.6°
S2	C2	C3	H31	51.9°	62.1°
S2	C2	C3	H32	57.6°	60.2°
C4	C3	H31	H32	121.5°	123.0°
C3	C4	C5	C7	110.2°	103.8°
C3	C4	C5	H4	124.0°	129.7°
C3	C4	C7	H4	123.4°	126.1°
C3	C4	C5	C6	73.0°	69.4°
C3	C4	C5	H51	161.7°	171.8°
C3	C4	C5	H52	52.2°	49.3°
C3	C4	C7	C8	65.5°	63.9°
C3	C4	C7	C9	178.3°	169.5°
H31	C3	C4	C5	161.1°	48.6°
H31	C3	C4	C7	89.2°	152.6°
H31	C3	C4	H4	36.8°	81.1°
H32	C3	C4	C5	51.6°	170.9°
H32	C3	C4	C7	161.3°	85.1°
H32	C3	C4	H4	72.8°	41.2°
C5	C4	C7	H4	123.6°	126.3°
C4	C5	C6	H51	125.3°	118.8°
C4	C5	C6	H52	125.3°	118.7°
C4	C5	H51	H52	121.1°	122.5°
C4	C5	C6	H61	124.9°	119.2°
C4	C5	C6	H62	125.7°	118.5°
C5	C4	C7	C8	178.6°	171.5°
C5	C4	C7	C9	65.2°	61.9°
C7	C4	C5	C6	37.2°	34.4°
C7	C4	C5	H51	88.1°	84.4°
C7	C4	C5	H52	162.4°	153.1°
C4	C7	C8	C9	126.9°	126.8°
C4	C7	C8	H81	73.3°	67.6°
C4	C7	C8	H82	161.5°	172.5°
C4	C7	C8	H83	52.1°	52.5°
C4	C7	C9	H91	71.9°	67.5°
C4	C7	C9	H92	53.4°	52.5°
C4	C7	C9	H93	162.8°	172.5°
H4	C4	C5	C6	163.0°	160.9°
H4	C4	C5	H51	37.7°	42.1°
H4	C4	C5	H52	71.8°	80.4°
H4	C4	C7	C8	57.9°	62.2°
H4	C4	C7	C9	58.3°	64.4°
C6	C5	H51	H52	121.0°	122.4°
C5	C6	H61	H62	120.3°	122.3°
H51	C5	C6	H61	109.8°	0.4°
H51	C5	C6	H62	0.4°	122.7°
H52	C5	C6	H61	0.4°	122.1°
H52	C5	C6	H62	109.0°	0.2°
C7	C8	H81	H82	125.2°	119.9°
C7	C8	H81	H83	125.3°	120.0°
C7	C8	H82	H83	115.1°	120.0°
C8	C7	C9	H91	53.5°	59.3°
C8	C7	C9	H92	178.8°	179.3°
C8	C7	C9	H93	71.8°	60.7°
C9	C7	C8	H81	53.6°	59.2°
C9	C7	C8	H82	71.6°	60.7°
C9	C7	C8	H83	178.9°	179.3°
C7	C9	H91	H92	125.3°	120.0°
C7	C9	H91	H93	125.3°	120.0°
C7	C9	H92	H93	115.2°	120.0°
H81	C8	H82	H83	115.2°	120.1°
H91	C9	H92	H93	115.2°	120.0°
H101	C10	H102	H103	115.1°	120.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	8CPP