0VT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C7	C2	sing	1.51Å	1.50Å
C2	C3	doub	1.31Å	1.52Å
C3	C4	sing	1.51Å	1.51Å
C4	C5	sing	1.53Å	1.51Å
C5	C6	sing	1.51Å	1.50Å
C8	C6	sing	1.51Å	1.50Å
C6	O9	doub	1.21Å	1.22Å
C4	H42	sing	1.09Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C7	H73	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C7	H71	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C3	H31	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C7	113.2°	120.0°
C1	C2	C3	112.0°	120.0°
C2	C1	H11	109.5°	109.5°
C2	C1	H13	109.5°	109.5°
C2	C1	H12	109.4°	109.5°
C7	C2	C3	115.5°	120.0°
C2	C7	H73	109.5°	109.5°
C2	C7	H72	109.4°	109.4°
C2	C7	H71	109.4°	109.5°
C2	C3	C4	119.9°	120.0°
C2	C3	H31	120.1°	120.0°
C3	C4	C5	116.6°	109.5°
C3	C4	H42	107.7°	109.5°
C3	C4	H41	107.7°	109.5°
C4	C3	H31	120.1°	120.0°
C4	C5	C6	117.4°	109.5°
C5	C4	H42	107.6°	109.4°
C5	C4	H41	107.7°	109.5°
C4	C5	H51	107.5°	109.5°
C4	C5	H52	107.4°	109.4°
C5	C6	C8	117.4°	120.0°
C5	C6	O9	120.8°	120.0°
C6	C5	H51	107.4°	109.5°
C6	C5	H52	107.5°	109.5°
C8	C6	O9	121.8°	120.0°
C6	C8	H83	109.5°	109.5°
C6	C8	H82	109.5°	109.5°
C6	C8	H81	109.5°	109.5°
H42	C4	H41	109.5°	109.4°
H51	C5	H52	109.5°	109.4°
H73	C7	H72	109.5°	109.5°
H73	C7	H71	109.5°	109.5°
H72	C7	H71	109.5°	109.4°
H83	C8	H82	109.5°	109.4°
H83	C8	H81	109.5°	109.4°
H82	C8	H81	109.4°	109.4°
H11	C1	H13	109.5°	109.4°
H11	C1	H12	109.5°	109.5°
H13	C1	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C7	C3	130.9°	180.0°
C1	C2	C3	C4	150.4°	180.0°
C1	C2	C7	H73	180.0°	0.0°
C1	C2	C7	H72	60.0°	120.0°
C1	C2	C7	H71	60.0°	120.1°
C2	C1	H11	H13	120.0°	120.0°
C2	C1	H11	H12	120.0°	120.0°
C2	C1	H13	H12	120.0°	120.0°
C1	C2	C3	H31	29.6°	0.0°
C7	C2	C3	C4	18.9°	0.0°
C2	C7	H73	H72	120.0°	120.0°
C2	C7	H73	H71	120.0°	120.0°
C2	C7	H72	H71	119.9°	119.9°
C7	C2	C1	H11	180.0°	90.0°
C7	C2	C1	H13	60.0°	150.0°
C7	C2	C1	H12	60.0°	30.0°
C7	C2	C3	H31	161.1°	180.0°
C2	C3	C4	H31	180.0°	180.0°
C2	C3	C4	C5	174.9°	125.0°
C2	C3	C4	H42	53.8°	5.0°
C2	C3	C4	H41	64.1°	115.0°
C3	C2	C7	H73	49.1°	180.0°
C3	C2	C7	H72	70.9°	60.0°
C3	C2	C7	H71	169.1°	59.9°
C3	C2	C1	H11	47.4°	90.0°
C3	C2	C1	H13	167.4°	30.0°
C3	C2	C1	H12	72.6°	150.0°
C3	C4	C5	H42	121.0°	120.0°
C3	C4	C5	H41	121.0°	120.1°
C3	C4	C5	C6	170.9°	180.0°
C3	C4	H42	H41	116.8°	120.0°
C3	C4	C5	H51	68.0°	59.9°
C3	C4	C5	H52	49.7°	60.0°
C4	C5	C6	H51	121.1°	120.1°
C4	C5	C6	H52	121.1°	120.0°
C4	C5	C6	C8	23.3°	180.0°
C4	C5	C6	O9	157.2°	0.1°
C5	C4	H42	H41	116.8°	120.0°
C4	C5	H51	H52	116.4°	120.0°
C5	C4	C3	H31	5.2°	55.0°
C5	C6	C8	O9	179.5°	180.0°
C6	C5	C4	H42	49.9°	60.0°
C6	C5	C4	H41	68.1°	59.9°
C6	C5	H51	H52	116.4°	120.0°
C5	C6	C8	H83	179.5°	90.0°
C5	C6	C8	H82	60.4°	150.0°
C5	C6	C8	H81	59.5°	30.0°
C8	C6	C5	H51	97.8°	59.9°
C8	C6	C5	H52	144.4°	60.0°
C6	C8	H83	H82	120.0°	120.1°
C6	C8	H83	H81	120.0°	120.0°
C6	C8	H82	H81	120.0°	120.0°
O9	C6	C5	H51	81.7°	120.0°
O9	C6	C5	H52	36.0°	120.0°
O9	C6	C8	H83	0.0°	90.0°
O9	C6	C8	H82	120.0°	30.0°
O9	C6	C8	H81	120.0°	150.0°
H42	C4	C5	H51	171.0°	60.0°
H42	C4	C5	H52	71.3°	180.0°
H42	C4	C3	H31	126.2°	175.0°
H41	C4	C5	H51	53.0°	180.0°
H41	C4	C5	H52	170.7°	60.0°
H41	C4	C3	H31	115.8°	65.0°
H73	C7	H72	H71	120.0°	120.0°
H83	C8	H82	H81	120.0°	119.9°
H11	C1	H13	H12	120.0°	120.0°

Release date:	2012-12-28
Definition date:	2012-07-13
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	4FQT