8AV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	N2	sing	1.47Å	1.46Å
C12	C11	sing	1.53Å	1.54Å
C21	C22	sing	1.53Å	1.53Å
C21	C20	sing	1.53Å	1.53Å
C22	C23	sing	1.53Å	1.53Å
C11	C20	sing	1.53Å	1.52Å
C11	N1	sing	1.47Å	1.46Å
C20	C25	sing	1.53Å	1.53Å
C23	C24	sing	1.53Å	1.53Å
C25	C24	sing	1.53Å	1.53Å
N1	H2	sing	1.01Å	1.00Å
N2	H6	sing	1.01Å	1.00Å
C11	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C20	H38	sing	1.09Å	1.10Å
C25	H39	sing	1.09Å	1.10Å
C25	H40	sing	1.09Å	1.10Å
C24	H41	sing	1.09Å	1.10Å
C24	H42	sing	1.09Å	1.10Å
C23	H43	sing	1.09Å	1.10Å
C23	H44	sing	1.09Å	1.10Å
C22	H45	sing	1.09Å	1.10Å
C22	H46	sing	1.09Å	1.10Å
C21	H47	sing	1.09Å	1.10Å
C21	H48	sing	1.09Å	1.10Å
N2	H1	sing	1.01Å	1.00Å
N1	H3	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C12	C11	108.5°	109.5°
C12	N2	H6	109.5°	111.0°
N2	C12	H14	109.7°	109.5°
N2	C12	H15	109.7°	109.5°
C12	N2	H1	109.4°	111.0°
C12	C11	C20	118.1°	109.5°
C12	C11	N1	108.8°	109.5°
C12	C11	H13	107.9°	109.5°
C11	C12	H14	109.7°	109.5°
C11	C12	H15	109.7°	109.5°
C22	C21	C20	111.6°	109.5°
C21	C22	C23	111.5°	109.5°
C21	C22	H45	108.9°	109.5°
C21	C22	H46	108.9°	109.5°
C22	C21	H47	108.9°	109.5°
C22	C21	H48	109.0°	109.5°
C21	C20	C11	125.6°	109.5°
C21	C20	C25	111.1°	109.5°
C21	C20	H38	99.3°	109.5°
C20	C21	H47	108.9°	109.5°
C20	C21	H48	108.9°	109.5°
C22	C23	C24	111.3°	109.5°
C22	C23	H43	109.0°	109.4°
C22	C23	H44	109.0°	109.4°
C23	C22	H45	108.9°	109.5°
C23	C22	H46	109.0°	109.5°
C20	C11	N1	104.6°	109.5°
C11	C20	C25	115.5°	109.5°
C20	C11	H13	108.1°	109.4°
C11	C20	H38	99.3°	109.4°
C11	N1	H2	109.5°	111.0°
N1	C11	H13	109.0°	109.5°
C11	N1	H3	109.5°	111.0°
C20	C25	C24	112.3°	109.5°
C25	C20	H38	99.2°	109.5°
C20	C25	H39	108.8°	109.5°
C20	C25	H40	108.8°	109.4°
C23	C24	C25	111.7°	109.5°
C23	C24	H41	108.9°	109.5°
C23	C24	H42	108.9°	109.5°
C24	C23	H43	109.0°	109.5°
C24	C23	H44	109.0°	109.5°
C24	C25	H39	108.7°	109.5°
C24	C25	H40	108.8°	109.5°
C25	C24	H41	108.9°	109.5°
C25	C24	H42	108.9°	109.5°
H2	N1	H3	109.5°	111.0°
H6	N2	H1	109.5°	111.0°
H14	C12	H15	109.5°	109.5°
H39	C25	H40	109.4°	109.5°
H41	C24	H42	109.4°	109.4°
H43	C23	H44	109.5°	109.5°
H45	C22	H46	109.5°	109.5°
H47	C21	H48	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C12	C11	H14	119.9°	120.0°
N2	C12	C11	H15	119.9°	120.0°
N2	C12	C11	C20	179.2°	175.0°
N2	C12	C11	N1	60.3°	55.0°
C12	N2	H6	H1	120.0°	123.9°
N2	C12	C11	H13	57.9°	65.0°
N2	C12	H14	H15	120.5°	120.0°
C12	C11	C20	C21	10.7°	60.0°
C12	C11	C20	N1	121.2°	120.0°
C12	C11	C20	H13	122.8°	120.0°
C12	C11	N1	H13	117.5°	120.0°
C12	C11	C20	C25	135.7°	180.0°
C12	C11	N1	H2	180.0°	63.9°
C11	C12	N2	H6	180.0°	56.1°
C11	C12	H14	H15	120.4°	120.0°
C12	C11	C20	H38	119.3°	60.0°
C11	C12	N2	H1	60.0°	180.0°
C12	C11	N1	H3	60.0°	60.0°
C22	C21	C20	H47	120.3°	120.0°
C22	C21	C20	H48	120.3°	120.0°
C21	C22	C23	H45	120.3°	120.0°
C21	C22	C23	H46	120.3°	120.0°
C22	C21	C20	C11	157.9°	180.0°
C22	C21	C20	C25	54.5°	60.0°
C21	C22	C23	C24	55.1°	60.0°
C22	C21	C20	H38	49.2°	60.0°
C21	C22	C23	H43	175.4°	60.0°
C21	C22	C23	H44	65.2°	180.0°
C21	C22	H45	H46	119.1°	120.0°
C22	C21	H47	H48	119.0°	120.0°
C20	C21	C22	C23	55.7°	60.0°
C21	C20	C11	C25	146.4°	120.0°
C21	C20	C11	H38	108.6°	120.0°
C21	C20	C11	N1	110.4°	180.0°
C21	C20	C25	H38	103.8°	120.0°
C21	C20	C25	C24	53.6°	60.0°
C21	C20	C11	H13	133.5°	60.0°
C21	C20	C25	H39	66.8°	60.0°
C21	C20	C25	H40	174.0°	180.0°
C20	C21	C22	H45	64.6°	180.0°
C20	C21	C22	H46	176.0°	60.0°
C20	C21	H47	H48	119.0°	120.0°
C22	C23	C24	H43	120.3°	120.0°
C22	C23	C24	H44	120.2°	120.0°
C22	C23	C24	C25	53.9°	60.0°
C22	C23	C24	H41	66.5°	180.0°
C22	C23	C24	H42	174.2°	60.0°
C22	C23	H43	H44	119.1°	120.0°
C23	C22	H45	H46	119.1°	120.0°
C23	C22	C21	H47	64.6°	180.0°
C23	C22	C21	H48	176.0°	60.0°
C20	C11	N1	H13	115.5°	120.0°
C11	C20	C25	H38	105.0°	120.0°
C11	C20	C25	C24	155.2°	180.0°
C20	C11	N1	H2	52.9°	176.0°
C20	C11	C12	H14	59.4°	55.0°
C20	C11	C12	H15	60.9°	65.0°
C11	C20	C25	H39	84.3°	60.0°
C11	C20	C25	H40	34.8°	60.0°
C11	C20	C21	H47	81.8°	60.0°
C11	C20	C21	H48	37.5°	60.0°
C20	C11	N1	H3	173.0°	60.0°
N1	C11	C20	C25	103.2°	60.0°
C11	N1	H2	H3	120.0°	124.0°
N1	C11	C12	H14	59.6°	65.0°
N1	C11	C12	H15	179.9°	175.0°
N1	C11	C20	H38	1.8°	60.0°
C20	C25	C24	C23	53.5°	60.0°
C20	C25	C24	H39	120.5°	120.0°
C20	C25	C24	H40	120.5°	120.0°
C25	C20	C11	H13	12.9°	60.0°
C20	C25	H39	H40	118.7°	119.9°
C20	C25	C24	H41	66.9°	180.0°
C20	C25	C24	H42	173.8°	60.0°
C25	C20	C21	H47	65.8°	180.0°
C25	C20	C21	H48	174.9°	60.0°
C23	C24	C25	H41	120.4°	120.0°
C23	C24	C25	H42	120.4°	120.0°
C23	C24	C25	H39	67.0°	60.0°
C23	C24	C25	H40	173.9°	180.0°
C23	C24	H41	H42	119.0°	120.0°
C24	C23	H43	H44	119.2°	120.1°
C24	C23	C22	H45	65.2°	180.0°
C24	C23	C22	H46	175.4°	60.0°
C24	C25	C20	H38	50.2°	60.0°
C24	C25	H39	H40	118.7°	120.1°
C25	C24	H41	H42	119.0°	120.0°
C25	C24	C23	H43	174.1°	60.0°
C25	C24	C23	H44	66.4°	180.0°
H2	N1	C11	H13	62.6°	56.1°
H6	N2	C12	H14	60.1°	176.1°
H6	N2	C12	H15	60.2°	63.9°
H13	C11	C12	H14	177.7°	175.0°
H13	C11	C12	H15	62.0°	55.0°
H13	C11	C20	H38	117.9°	180.0°
H13	C11	N1	H3	57.5°	179.9°
H14	C12	N2	H1	59.8°	60.0°
H15	C12	N2	H1	179.9°	60.0°
H38	C20	C25	H39	170.6°	180.0°
H38	C20	C25	H40	70.3°	60.0°
H38	C20	C21	H47	169.5°	60.0°
H38	C20	C21	H48	71.1°	179.9°
H39	C25	C24	H41	172.6°	60.0°
H39	C25	C24	H42	53.4°	180.0°
H40	C25	C24	H41	53.6°	60.0°
H40	C25	C24	H42	65.7°	60.0°
H41	C24	C23	H43	53.8°	60.1°
H41	C24	C23	H44	173.3°	60.0°
H42	C24	C23	H43	65.5°	180.0°
H42	C24	C23	H44	54.0°	60.0°
H43	C23	C22	H45	55.1°	60.0°
H43	C23	C22	H46	64.3°	180.0°
H44	C23	C22	H45	174.6°	60.0°
H44	C23	C22	H46	55.1°	60.0°
H45	C22	C21	H47	175.1°	60.0°
H45	C22	C21	H48	55.8°	60.0°
H46	C22	C21	H47	55.7°	60.0°
H46	C22	C21	H48	63.6°	180.0°

Release date:	2017-11-01
Definition date:	2017-01-17
Last modified:	2017-10-27
Release status:	REL
Processing site:	RCSB
Derived from:	5UFI