RBG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.52Å
C3	C1	sing	1.53Å	1.52Å
C2	C1	sing	1.53Å	1.52Å
C1	N	sing	1.47Å	1.48Å
C6	C7	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.52Å
C7	C8	sing	1.53Å	1.52Å
C8	C9	sing	1.53Å	1.51Å
N	C4	sing	1.35Å	1.34Å
C4	C5	sing	1.51Å	1.53Å
C4	O	doub	1.21Å	1.23Å
N1	C5	sing	1.47Å	1.49Å
N1	C9	sing	1.47Å	1.50Å
C5	H1	sing	1.09Å	1.10Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
N1	H4	sing	1.01Å	1.00Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
N	H12	sing	0.97Å	1.00Å
C3	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C2	H18	sing	1.09Å	1.10Å
C	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å
C	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C3	110.6°	109.5°
C	C1	C2	109.5°	109.5°
C	C1	N	109.0°	109.5°
C1	C	H19	109.5°	109.4°
C1	C	H20	109.5°	109.5°
C1	C	H21	109.5°	109.5°
C3	C1	C2	110.0°	109.5°
C3	C1	N	107.6°	109.5°
C1	C3	H13	109.5°	109.5°
C1	C3	H14	109.4°	109.5°
C1	C3	H15	109.5°	109.4°
C2	C1	N	110.2°	109.4°
C1	C2	H16	109.5°	109.5°
C1	C2	H17	109.5°	109.4°
C1	C2	H18	109.4°	109.5°
C1	N	C4	125.6°	120.0°
C1	N	H12	117.2°	120.0°
C7	C6	C5	110.8°	109.3°
C6	C7	C8	111.7°	109.1°
C7	C6	H2	109.1°	109.5°
C7	C6	H3	109.2°	109.5°
C6	C7	H6	108.9°	109.5°
C6	C7	H7	108.9°	109.5°
C6	C5	C4	113.1°	109.4°
C6	C5	N1	108.6°	109.5°
C6	C5	H1	108.9°	109.5°
C5	C6	H2	109.1°	109.5°
C5	C6	H3	109.1°	109.5°
C7	C8	C9	111.3°	109.3°
C8	C7	H6	108.9°	109.5°
C8	C7	H7	108.9°	109.6°
C7	C8	H8	109.0°	109.6°
C7	C8	H9	109.0°	109.5°
C8	C9	N1	110.6°	109.5°
C9	C8	H8	109.0°	109.5°
C9	C8	H9	109.0°	109.5°
C8	C9	H10	109.2°	109.5°
C8	C9	H11	109.2°	109.5°
N	C4	C5	115.2°	120.0°
N	C4	O	123.9°	120.0°
C4	N	H12	117.2°	120.0°
C5	C4	O	120.9°	120.0°
C4	C5	N1	108.1°	109.5°
C4	C5	H1	108.8°	109.4°
C5	N1	C9	113.2°	111.2°
N1	C5	H1	109.2°	109.5°
C5	N1	H4	108.5°	111.1°
C9	N1	H4	108.6°	111.0°
N1	C9	H10	109.2°	109.5°
N1	C9	H11	109.2°	109.4°
H2	C6	H3	109.5°	109.6°
H6	C7	H7	109.5°	109.6°
H8	C8	H9	109.5°	109.5°
H10	C9	H11	109.5°	109.4°
H13	C3	H14	109.5°	109.5°
H13	C3	H15	109.5°	109.5°
H14	C3	H15	109.5°	109.4°
H16	C2	H17	109.4°	109.5°
H16	C2	H18	109.5°	109.5°
H17	C2	H18	109.5°	109.4°
H19	C	H20	109.5°	109.5°
H19	C	H21	109.4°	109.5°
H20	C	H21	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C3	C2	121.1°	120.0°
C	C1	C3	N	118.9°	120.0°
C	C1	C2	N	119.8°	119.9°
C	C1	N	C4	108.2°	60.1°
C	C1	N	H12	71.8°	120.0°
C	C1	C3	H13	180.0°	180.0°
C	C1	C3	H14	60.0°	59.9°
C	C1	C3	H15	60.0°	60.0°
C	C1	C2	H16	180.0°	59.9°
C	C1	C2	H17	60.0°	60.0°
C	C1	C2	H18	60.0°	180.0°
C1	C	H19	H20	120.0°	119.9°
C1	C	H19	H21	120.0°	120.0°
C1	C	H20	H21	120.0°	120.0°
C3	C1	C2	N	118.4°	120.0°
C3	C1	N	C4	11.8°	60.0°
C3	C1	N	H12	168.2°	120.0°
C1	C3	H13	H14	120.0°	120.0°
C1	C3	H13	H15	120.0°	120.0°
C1	C3	H14	H15	120.0°	119.9°
C3	C1	C2	H16	58.2°	180.0°
C3	C1	C2	H17	61.8°	60.0°
C3	C1	C2	H18	178.2°	59.9°
C3	C1	C	H19	180.0°	60.0°
C3	C1	C	H20	60.0°	60.0°
C3	C1	C	H21	60.0°	180.0°
C2	C1	N	C4	131.7°	180.0°
C2	C1	N	H12	48.3°	0.0°
C2	C1	C3	H13	59.0°	60.0°
C2	C1	C3	H14	179.0°	60.1°
C2	C1	C3	H15	61.1°	180.0°
C1	C2	H16	H17	120.0°	120.0°
C1	C2	H16	H18	120.0°	120.1°
C1	C2	H17	H18	120.0°	119.9°
C2	C1	C	H19	58.6°	180.0°
C2	C1	C	H20	61.4°	60.1°
C2	C1	C	H21	178.6°	59.9°
C1	N	C4	H12	180.0°	180.0°
C1	N	C4	C5	86.3°	180.0°
C1	N	C4	O	93.7°	0.2°
N	C1	C3	H13	61.1°	60.0°
N	C1	C3	H14	58.9°	180.0°
N	C1	C3	H15	178.9°	60.0°
N	C1	C2	H16	60.2°	60.0°
N	C1	C2	H17	179.8°	180.0°
N	C1	C2	H18	59.8°	60.1°
N	C1	C	H19	61.9°	60.1°
N	C1	C	H20	178.1°	180.0°
N	C1	C	H21	58.1°	60.0°
C7	C6	C5	H2	120.2°	119.9°
C7	C6	C5	H3	120.2°	119.9°
C6	C7	C8	H6	120.3°	119.8°
C6	C7	C8	H7	120.3°	119.9°
C6	C7	C8	C9	53.2°	57.6°
C7	C6	C5	C4	176.9°	179.2°
C7	C6	C5	N1	56.9°	59.2°
C7	C6	C5	H1	61.9°	60.9°
C7	C6	H2	H3	119.4°	120.1°
C6	C7	H6	H7	119.0°	120.2°
C6	C7	C8	H8	173.4°	177.6°
C6	C7	C8	H9	67.1°	62.3°
C5	C6	C7	C8	55.4°	57.6°
C6	C5	C4	N	18.7°	79.7°
C6	C5	C4	N1	120.3°	120.0°
C6	C5	C4	H1	121.1°	120.0°
C6	C5	C4	O	161.3°	100.0°
C6	C5	N1	H1	118.6°	120.1°
C6	C5	N1	C9	59.2°	61.8°
C5	C6	H2	H3	119.4°	120.1°
C6	C5	N1	H4	61.4°	62.4°
C5	C6	C7	H6	65.0°	62.2°
C5	C6	C7	H7	175.7°	177.6°
C7	C8	C9	H8	120.3°	120.0°
C7	C8	C9	H9	120.3°	119.9°
C7	C8	C9	N1	53.3°	59.1°
C8	C7	C6	H2	64.8°	177.5°
C8	C7	C6	H3	175.5°	62.3°
C8	C7	H6	H7	118.9°	120.2°
C7	C8	H8	H9	119.2°	120.1°
C7	C8	C9	H10	66.9°	179.2°
C7	C8	C9	H11	173.4°	60.9°
C8	C9	N1	C5	57.8°	61.7°
C8	C9	N1	H10	120.2°	120.1°
C8	C9	N1	H11	120.2°	120.0°
C8	C9	N1	H4	62.7°	62.4°
C9	C8	C7	H6	67.2°	62.2°
C9	C8	C7	H7	173.5°	177.5°
C9	C8	H8	H9	119.2°	120.0°
C8	C9	H10	H11	119.5°	120.0°
N	C4	C5	O	180.0°	179.8°
N	C4	C5	N1	139.0°	160.2°
N	C4	C5	H1	102.4°	40.2°
C4	C5	N1	H1	118.3°	120.0°
C4	C5	N1	C9	177.7°	178.2°
C4	C5	C6	H2	56.8°	60.9°
C4	C5	C6	H3	62.8°	59.3°
C4	C5	N1	H4	61.7°	57.6°
C5	C4	N	H12	93.7°	0.0°
O	C4	C5	N1	41.0°	20.0°
O	C4	C5	H1	77.5°	140.0°
O	C4	N	H12	86.3°	179.8°
C5	N1	C9	H4	120.5°	124.2°
N1	C5	C6	H2	63.2°	179.1°
N1	C5	C6	H3	177.1°	60.7°
C5	N1	C9	H10	62.3°	178.2°
C5	N1	C9	H11	178.0°	58.3°
C9	N1	C5	H1	59.4°	58.3°
N1	C9	C8	H8	173.5°	179.2°
N1	C9	C8	H9	67.0°	60.8°
N1	C9	H10	H11	119.5°	119.9°
H1	C5	C6	H2	177.9°	59.0°
H1	C5	C6	H3	58.3°	179.2°
H1	C5	N1	H4	180.0°	177.6°
H2	C6	C7	H6	174.8°	57.7°
H2	C6	C7	H7	55.5°	62.5°
H3	C6	C7	H6	55.2°	177.8°
H3	C6	C7	H7	64.1°	57.6°
H4	N1	C9	H10	177.1°	57.6°
H4	N1	C9	H11	57.4°	177.5°
H6	C7	C8	H8	53.1°	57.8°
H6	C7	C8	H9	172.5°	177.8°
H7	C7	C8	H8	66.2°	62.4°
H7	C7	C8	H9	53.2°	57.6°
H8	C8	C9	H10	53.4°	60.8°
H8	C8	C9	H11	66.3°	59.2°
H9	C8	C9	H10	172.9°	59.3°
H9	C8	C9	H11	53.2°	179.2°
H13	C3	H14	H15	120.0°	120.0°
H16	C2	H17	H18	120.0°	120.1°
H19	C	H20	H21	120.0°	120.1°

Release date:	2020-06-03
Definition date:	2020-02-10
Last modified:	2020-05-29
Release status:	REL
Processing site:	RCSB
Derived from:	5RC5