CTV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C3	sing	1.51Å	1.32Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
N1	C10	trip	1.14Å	1.53Å
C2	C3	sing	1.51Å	1.35Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C2	H2B	sing	1.09Å	1.10Å
C3	C4	doub	1.31Å	1.54Å
C4	C5	sing	1.51Å	1.42Å
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.53Å	1.49Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	C7	sing	1.51Å	1.57Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	C8	doub	1.33Å	1.47Å
C7	C9	sing	1.51Å	1.63Å
C8	C10	sing	1.43Å	1.44Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C9	H9B	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C1	H1	109.5°	109.5°
C3	C1	H1A	109.5°	109.5°
C1	C3	C2	118.6°	120.0°
C1	C3	C4	119.8°	120.0°
C3	C1	H15	109.5°	109.5°
H1	C1	H1A	109.5°	109.5°
H1	C1	H15	109.5°	109.4°
H1A	C1	H15	109.5°	109.5°
N1	C10	C8	177.4°	180.0°
C3	C2	H2	109.5°	109.5°
C3	C2	H2A	109.5°	109.5°
C3	C2	H2B	109.5°	109.5°
C2	C3	C4	118.6°	120.0°
H2	C2	H2A	109.4°	109.4°
H2	C2	H2B	109.4°	109.4°
H2A	C2	H2B	109.5°	109.5°
C3	C4	C5	120.8°	120.0°
C3	C4	H4	119.6°	120.0°
C5	C4	H4	119.6°	120.0°
C4	C5	C6	110.2°	109.5°
C4	C5	H5	109.2°	109.5°
C4	C5	H5A	109.3°	109.5°
C6	C5	H5	109.2°	109.5°
C6	C5	H5A	109.2°	109.5°
C5	C6	C7	116.2°	109.5°
C5	C6	H6	107.3°	109.5°
C5	C6	H6A	107.3°	109.5°
H5	C5	H5A	109.7°	109.4°
C7	C6	H6	107.3°	109.4°
C7	C6	H6A	107.3°	109.4°
C6	C7	C8	125.5°	120.0°
C6	C7	C9	118.9°	120.0°
H6	C6	H6A	111.6°	109.5°
C8	C7	C9	115.4°	120.0°
C7	C8	C10	121.1°	120.0°
C7	C8	H8	119.4°	120.0°
C7	C9	H9	109.5°	109.5°
C7	C9	H9A	109.5°	109.5°
C7	C9	H9B	109.5°	109.4°
C10	C8	H8	119.5°	120.0°
H9	C9	H9A	109.5°	109.5°
H9	C9	H9B	109.4°	109.5°
H9A	C9	H9B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C1	H1	H1A	120.0°	120.1°
C3	C1	H1	H15	120.0°	119.9°
C3	C1	H1A	H15	120.0°	120.0°
C1	C3	C2	C4	160.4°	179.9°
C1	C3	C2	H2	180.0°	90.0°
C1	C3	C2	H2A	60.0°	150.0°
C1	C3	C2	H2B	60.0°	30.0°
C1	C3	C4	C5	72.7°	5.4°
C1	C3	C4	H4	107.3°	174.6°
H1	C1	H1A	H15	120.0°	120.0°
H1	C1	C3	C2	180.0°	5.1°
H1	C1	C3	C4	19.9°	174.9°
H1A	C1	C3	C2	60.0°	114.9°
H1A	C1	C3	C4	100.1°	65.1°
N1	C10	C8	C7	95.8°	82.4°
N1	C10	C8	H8	84.2°	97.5°
C3	C2	H2	H2A	120.0°	120.0°
C3	C2	H2	H2B	120.0°	120.0°
C3	C2	H2A	H2B	120.0°	120.0°
C2	C3	C4	C5	127.2°	174.5°
C2	C3	C4	H4	52.8°	5.5°
C2	C3	C1	H15	60.0°	125.1°
H2	C2	H2A	H2B	119.9°	119.9°
H2	C2	C3	C4	19.6°	90.0°
H2A	C2	C3	C4	139.6°	30.0°
H2B	C2	C3	C4	100.3°	150.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	76.1°	125.4°
C3	C4	C5	H5	43.9°	114.5°
C3	C4	C5	H5A	163.9°	5.4°
C4	C3	C1	H15	139.9°	55.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	120.0°	120.0°
C4	C5	H5	H5A	119.7°	120.0°
C4	C5	C6	C7	111.4°	NaN°
C4	C5	C6	H6	8.6°	60.0°
C4	C5	C6	H6A	128.7°	60.1°
H4	C4	C5	C6	103.9°	54.6°
H4	C4	C5	H5	136.1°	65.5°
H4	C4	C5	H5A	16.0°	174.6°
C6	C5	H5	H5A	119.7°	120.0°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	120.0°	120.0°
C5	C6	H6	H6A	117.3°	120.1°
C5	C6	C7	C8	12.8°	95.0°
C5	C6	C7	C9	172.4°	84.9°
H5	C5	C6	C7	128.6°	60.0°
H5	C5	C6	H6	111.4°	180.0°
H5	C5	C6	H6A	8.7°	59.9°
H5A	C5	C6	C7	8.6°	60.0°
H5A	C5	C6	H6	128.6°	60.0°
H5A	C5	C6	H6A	111.3°	179.9°
C7	C6	H6	H6A	117.2°	119.9°
C6	C7	C8	C9	174.9°	179.9°
C6	C7	C8	C10	2.2°	0.0°
C6	C7	C8	H8	177.8°	180.0°
C6	C7	C9	H9	180.0°	90.0°
C6	C7	C9	H9A	60.0°	150.0°
C6	C7	C9	H9B	60.0°	30.1°
H6	C6	C7	C8	107.2°	25.0°
H6	C6	C7	C9	67.6°	155.0°
H6A	C6	C7	C8	132.8°	145.0°
H6A	C6	C7	C9	52.5°	35.0°
C7	C8	C10	H8	180.0°	180.0°
C8	C7	C9	H9	4.7°	90.0°
C8	C7	C9	H9A	115.3°	30.1°
C8	C7	C9	H9B	124.7°	150.0°
C9	C7	C8	C10	172.7°	180.0°
C9	C7	C8	H8	7.2°	0.1°
C7	C9	H9	H9A	120.0°	120.1°
C7	C9	H9	H9B	120.0°	120.0°
C7	C9	H9A	H9B	120.0°	119.9°
H9	C9	H9A	H9B	119.9°	120.0°

Definition date:	2011-05-17
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3S0D