QPM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C4	sing	1.47Å	1.42Å
C5	C4	sing	1.53Å	1.51Å
C5	C6	sing	1.53Å	1.55Å
C61	C6	sing	1.53Å	1.54Å
C4	C3	sing	1.53Å	1.51Å
C6	C62	sing	1.55Å	1.50Å
C6	N1	sing	1.45Å	1.44Å
C3	C2	sing	1.53Å	1.53Å
N1	O1	sing	1.46Å	1.18Å
N1	C2	sing	1.45Å	1.47Å
C2	C22	sing	1.53Å	1.54Å
C2	C21	sing	1.55Å	1.53Å
C4	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C21	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.09Å	1.10Å
C21	H6	sing	1.09Å	1.10Å
C22	H7	sing	1.09Å	1.10Å
C22	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C61	H12	sing	1.09Å	1.10Å
C61	H13	sing	1.09Å	1.10Å
C61	H14	sing	1.09Å	1.10Å
C62	H15	sing	1.09Å	1.10Å
C62	H16	sing	1.09Å	1.10Å
C62	H17	sing	1.09Å	1.10Å
N2	H18	sing	1.01Å	1.00Å
N2	H19	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C4	C5	108.0°	109.2°
N2	C4	C3	107.7°	109.3°
N2	C4	H1	111.9°	109.0°
C4	N2	H18	109.5°	111.0°
C4	N2	H19	109.4°	111.0°
C4	C5	C6	116.7°	109.9°
C5	C4	C3	108.1°	108.4°
C5	C4	H1	110.5°	110.5°
C4	C5	H2	107.7°	109.4°
C4	C5	H3	107.7°	109.4°
C5	C6	C61	108.7°	109.7°
C5	C6	C62	117.8°	107.5°
C5	C6	N1	115.2°	112.4°
C6	C5	H2	107.6°	109.5°
C6	C5	H3	107.6°	109.5°
C61	C6	C62	99.4°	107.3°
C61	C6	N1	122.8°	111.5°
C6	C61	H12	109.5°	109.5°
C6	C61	H13	109.4°	109.5°
C6	C61	H14	109.4°	109.4°
C4	C3	C2	113.2°	110.5°
C3	C4	H1	110.6°	110.5°
C4	C3	H10	108.5°	109.3°
C4	C3	H11	108.5°	109.3°
C62	C6	N1	91.1°	108.2°
C6	C62	H15	109.5°	109.5°
C6	C62	H16	109.4°	109.5°
C6	C62	H17	109.4°	109.4°
C6	N1	O1	119.0°	112.1°
C6	N1	C2	122.4°	120.1°
C3	C2	N1	113.8°	113.1°
C3	C2	C22	109.5°	109.5°
C3	C2	C21	107.0°	107.5°
C2	C3	H10	108.6°	109.4°
C2	C3	H11	108.5°	109.4°
O1	N1	C2	117.7°	112.1°
N1	C2	C22	107.8°	111.2°
N1	C2	C21	112.8°	108.1°
C22	C2	C21	105.6°	107.2°
C2	C22	H7	109.5°	109.5°
C2	C22	H8	109.5°	109.4°
C2	C22	H9	109.4°	109.4°
C2	C21	H4	109.5°	109.5°
C2	C21	H5	109.5°	109.4°
C2	C21	H6	109.5°	109.4°
H2	C5	H3	109.5°	109.1°
H4	C21	H5	109.4°	109.5°
H4	C21	H6	109.5°	109.5°
H5	C21	H6	109.5°	109.5°
H7	C22	H8	109.4°	109.5°
H7	C22	H9	109.5°	109.5°
H8	C22	H9	109.5°	109.5°
H10	C3	H11	109.5°	108.8°
H12	C61	H13	109.5°	109.5°
H12	C61	H14	109.4°	109.5°
H13	C61	H14	109.5°	109.4°
H15	C62	H16	109.5°	109.5°
H15	C62	H17	109.5°	109.4°
H16	C62	H17	109.5°	109.5°
H18	N2	H19	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C4	C5	C3	116.3°	118.9°
N2	C4	C5	H1	122.6°	119.9°
N2	C4	C5	C6	160.0°	179.9°
N2	C4	C3	H1	122.6°	119.9°
N2	C4	C3	C2	177.8°	178.6°
N2	C4	C5	H2	38.9°	59.9°
N2	C4	C5	H3	79.0°	59.6°
N2	C4	C3	H10	61.6°	61.0°
N2	C4	C3	H11	57.2°	58.1°
C4	N2	H18	H19	120.0°	124.0°
C4	C5	C6	H2	121.1°	120.2°
C4	C5	C6	H3	121.0°	120.2°
C4	C5	C6	C61	141.1°	73.3°
C5	C4	C3	H1	121.0°	121.2°
C4	C5	C6	C62	107.0°	170.3°
C4	C5	C6	N1	1.2°	51.4°
C5	C4	C3	C2	61.4°	59.8°
C4	C5	H2	H3	116.8°	119.7°
C5	C4	C3	H10	178.1°	179.8°
C5	C4	C3	H11	59.2°	60.7°
C5	C4	N2	H18	180.0°	61.7°
C5	C4	N2	H19	60.0°	62.3°
C5	C6	C61	C62	123.7°	116.6°
C5	C6	C61	N1	138.8°	125.2°
C6	C5	C4	C3	43.7°	61.2°
C5	C6	C62	N1	119.4°	121.6°
C5	C6	N1	O1	163.2°	92.6°
C5	C6	N1	C2	28.4°	42.2°
C6	C5	C4	H1	77.4°	60.0°
C6	C5	H2	H3	116.7°	119.8°
C5	C6	C61	H12	180.0°	60.0°
C5	C6	C61	H13	60.0°	180.0°
C5	C6	C61	H14	60.0°	60.0°
C5	C6	C62	H15	180.0°	59.9°
C5	C6	C62	H16	60.0°	180.0°
C5	C6	C62	H17	60.0°	60.0°
C61	C6	C62	N1	123.5°	120.4°
C61	C6	N1	O1	26.8°	143.7°
C61	C6	N1	C2	164.8°	81.4°
C61	C6	C5	H2	97.8°	166.6°
C61	C6	C5	H3	20.1°	47.0°
C6	C61	H12	H13	120.0°	120.1°
C6	C61	H12	H14	120.0°	120.0°
C6	C61	H13	H14	120.0°	119.9°
C61	C6	C62	H15	63.0°	58.1°
C61	C6	C62	H16	177.0°	62.0°
C61	C6	C62	H17	57.0°	178.0°
C4	C3	C2	H10	120.6°	120.4°
C4	C3	C2	H11	120.6°	120.4°
C4	C3	C2	N1	35.2°	48.5°
C4	C3	C2	C22	85.5°	76.1°
C4	C3	C2	C21	160.5°	167.8°
C3	C4	C5	H2	77.4°	59.0°
C3	C4	C5	H3	164.7°	178.5°
C4	C3	H10	H11	118.3°	119.4°
C3	C4	N2	H18	63.5°	180.0°
C3	C4	N2	H19	176.5°	56.0°
C62	C6	N1	O1	75.1°	25.9°
C62	C6	N1	C2	93.3°	160.8°
C62	C6	C5	H2	14.1°	50.1°
C62	C6	C5	H3	132.0°	69.5°
C62	C6	C61	H12	56.3°	176.5°
C62	C6	C61	H13	63.7°	63.4°
C62	C6	C61	H14	176.3°	56.6°
C6	C62	H15	H16	120.0°	120.1°
C6	C62	H15	H17	120.0°	119.9°
C6	C62	H16	H17	120.0°	120.0°
C6	N1	C2	C3	11.3°	40.8°
C6	N1	O1	C2	168.9°	138.5°
C6	N1	C2	C22	133.0°	82.9°
C6	N1	C2	C21	110.8°	159.7°
N1	C6	C5	H2	119.9°	68.8°
N1	C6	C5	H3	122.2°	171.6°
N1	C6	C61	H12	41.2°	65.2°
N1	C6	C61	H13	161.2°	54.9°
N1	C6	C61	H14	78.8°	174.8°
N1	C6	C62	H15	60.6°	178.5°
N1	C6	C62	H16	59.4°	58.4°
N1	C6	C62	H17	179.4°	61.6°
C3	C2	N1	O1	179.8°	94.1°
C3	C2	N1	C22	121.7°	123.7°
C3	C2	N1	C21	122.1°	118.9°
C3	C2	C22	C21	114.9°	116.3°
C2	C3	C4	H1	59.7°	61.5°
C3	C2	C21	H4	180.0°	177.6°
C3	C2	C21	H5	60.0°	57.5°
C3	C2	C21	H6	60.0°	62.4°
C3	C2	C22	H7	180.0°	65.8°
C3	C2	C22	H8	60.0°	54.2°
C3	C2	C22	H9	60.0°	174.2°
C2	C3	H10	H11	118.3°	119.5°
O1	N1	C2	C22	58.5°	142.2°
O1	N1	C2	C21	57.7°	24.8°
N1	C2	C22	C21	120.8°	118.0°
N1	C2	C21	H4	54.1°	60.0°
N1	C2	C21	H5	174.1°	180.0°
N1	C2	C21	H6	65.9°	60.0°
N1	C2	C22	H7	55.7°	59.9°
N1	C2	C22	H8	64.3°	180.0°
N1	C2	C22	H9	175.7°	60.1°
N1	C2	C3	H10	155.8°	168.9°
N1	C2	C3	H11	85.3°	71.9°
C22	C2	C21	H4	63.3°	60.0°
C22	C2	C21	H5	56.6°	60.1°
C22	C2	C21	H6	176.6°	180.0°
C2	C22	H7	H8	120.0°	120.0°
C2	C22	H7	H9	120.0°	120.0°
C2	C22	H8	H9	120.0°	119.9°
C22	C2	C3	H10	35.1°	44.3°
C22	C2	C3	H11	154.0°	163.4°
C2	C21	H4	H5	120.0°	120.0°
C2	C21	H4	H6	120.0°	120.0°
C2	C21	H5	H6	120.0°	119.9°
C21	C2	C22	H7	65.1°	177.9°
C21	C2	C22	H8	174.9°	62.0°
C21	C2	C22	H9	54.9°	57.9°
C21	C2	C3	H10	78.9°	71.8°
C21	C2	C3	H11	39.9°	47.3°
H1	C4	C5	H2	161.6°	179.7°
H1	C4	C5	H3	43.6°	60.3°
H1	C4	C3	H10	60.9°	59.0°
H1	C4	C3	H11	179.8°	178.0°
H1	C4	N2	H18	58.2°	59.1°
H1	C4	N2	H19	61.8°	176.9°
H4	C21	H5	H6	120.0°	120.1°
H7	C22	H8	H9	120.0°	120.1°
H12	C61	H13	H14	120.0°	120.0°
H15	C62	H16	H17	120.0°	120.0°

Release date:	2020-10-07
Definition date:	2019-12-06
Last modified:	2020-10-02
Release status:	REL
Processing site:	RCSB
Derived from:	6V51