LM0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.51Å	1.52Å
O2	C8	doub	1.21Å	1.22Å
C8	N2	sing	1.35Å	1.36Å
O1	C2	doub	1.21Å	1.23Å
N2	C7	sing	1.47Å	1.47Å
N2	C3	sing	1.47Å	1.47Å
C7	C6	sing	1.51Å	1.50Å
C10	C11	doub	1.38Å	1.38Å	Aromatic
C10	C6	sing	1.39Å	1.39Å	Aromatic
C2	N1	sing	1.35Å	1.35Å
C2	C3	sing	1.51Å	1.53Å
C11	C12	sing	1.38Å	1.38Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
N1	N	sing	1.40Å	1.39Å
N	C1	sing	1.35Å	1.34Å
C3	C4	sing	1.53Å	1.53Å
O	C1	doub	1.21Å	1.23Å
C1	C	sing	1.51Å	1.50Å
C12	C13	doub	1.38Å	1.38Å	Aromatic
C5	C13	sing	1.39Å	1.39Å	Aromatic
C5	C4	sing	1.51Å	1.51Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
N	H12	sing	0.97Å	1.00Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.08Å	1.08Å
C12	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	O2	120.3°	120.0°
C9	C8	N2	117.6°	120.0°
C8	C9	H8	109.5°	109.5°
C8	C9	H9	109.4°	109.5°
C8	C9	H10	109.5°	109.5°
O2	C8	N2	122.0°	120.0°
C8	N2	C7	120.5°	121.3°
C8	N2	C3	117.2°	121.4°
O1	C2	N1	123.5°	120.0°
O1	C2	C3	121.2°	120.0°
C7	N2	C3	122.2°	117.3°
N2	C7	C6	111.1°	109.7°
N2	C7	H4	109.1°	109.5°
N2	C7	H5	109.1°	109.4°
N2	C3	C2	114.7°	109.8°
N2	C3	C4	111.1°	107.9°
N2	C3	H11	107.1°	109.7°
C7	C6	C10	121.6°	117.8°
C7	C6	C5	118.6°	122.3°
C6	C7	H4	109.1°	109.4°
C6	C7	H5	109.1°	109.4°
C11	C10	C6	120.3°	120.5°
C10	C11	C12	120.1°	119.7°
C11	C10	H6	119.8°	119.8°
C10	C11	H16	120.0°	120.2°
C10	C6	C5	119.6°	119.9°
C6	C10	H6	119.9°	119.7°
N1	C2	C3	115.1°	120.0°
C2	N1	N	121.3°	120.0°
C2	N1	H1	119.4°	119.9°
C2	C3	C4	110.6°	109.7°
C2	C3	H11	106.4°	109.8°
C11	C12	C13	120.3°	119.8°
C12	C11	H16	120.0°	120.1°
C11	C12	H17	119.9°	120.1°
C6	C5	C13	119.2°	119.5°
C6	C5	C4	118.1°	122.9°
N1	N	C1	134.1°	120.0°
N	N1	H1	119.3°	120.0°
N1	N	H12	113.0°	120.0°
N	C1	O	122.2°	120.0°
N	C1	C	115.6°	120.0°
C1	N	H12	112.9°	120.0°
C3	C4	C5	109.5°	110.8°
C3	C4	H2	109.5°	109.2°
C3	C4	H3	109.4°	109.2°
C4	C3	H11	106.4°	109.8°
O	C1	C	122.2°	120.0°
C1	C	H13	109.5°	109.5°
C1	C	H14	109.5°	109.5°
C1	C	H15	109.5°	109.5°
C12	C13	C5	120.5°	120.6°
C12	C13	H7	119.8°	119.7°
C13	C12	H17	119.9°	120.1°
C13	C5	C4	122.6°	117.6°
C5	C13	H7	119.8°	119.7°
C5	C4	H2	109.5°	109.2°
C5	C4	H3	109.5°	109.3°
H2	C4	H3	109.5°	109.2°
H4	C7	H5	109.4°	109.5°
H8	C9	H9	109.5°	109.4°
H8	C9	H10	109.5°	109.5°
H9	C9	H10	109.5°	109.5°
H13	C	H14	109.5°	109.5°
H13	C	H15	109.4°	109.5°
H14	C	H15	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	O2	N2	177.3°	180.0°
C9	C8	N2	C7	21.8°	4.6°
C9	C8	N2	C3	156.1°	175.4°
C8	C9	H8	H9	120.0°	120.0°
C8	C9	H8	H10	120.0°	120.0°
C8	C9	H9	H10	120.0°	120.0°
O2	C8	N2	C7	160.8°	175.4°
O2	C8	N2	C3	21.3°	4.6°
O2	C8	C9	H8	0.0°	174.5°
O2	C8	C9	H9	120.0°	54.6°
O2	C8	C9	H10	120.0°	65.5°
C8	N2	C7	C3	177.8°	180.0°
C8	N2	C7	C6	152.4°	135.6°
C8	N2	C3	C2	68.8°	3.9°
C8	N2	C3	C4	164.8°	115.7°
C8	N2	C7	H4	87.3°	15.6°
C8	N2	C7	H5	32.2°	104.4°
N2	C8	C9	H8	177.5°	5.4°
N2	C8	C9	H9	62.5°	125.4°
N2	C8	C9	H10	57.5°	114.6°
C8	N2	C3	H11	49.0°	124.7°
O1	C2	C3	N2	34.9°	57.9°
O1	C2	N1	C3	174.9°	179.9°
O1	C2	N1	N	43.6°	0.0°
O1	C2	C3	C4	91.7°	60.6°
O1	C2	N1	H1	136.4°	179.7°
O1	C2	C3	H11	153.2°	178.7°
N2	C7	C6	H4	120.2°	120.1°
N2	C7	C6	H5	120.2°	120.0°
N2	C7	C6	C10	138.5°	168.9°
C7	N2	C3	C2	113.3°	176.1°
N2	C7	C6	C5	36.2°	11.4°
C7	N2	C3	C4	13.1°	64.3°
N2	C7	H4	H5	119.2°	119.9°
C7	N2	C3	H11	128.8°	55.3°
C3	N2	C7	C6	29.7°	44.4°
N2	C3	C2	N1	140.1°	122.0°
N2	C3	C2	C4	126.6°	118.5°
N2	C3	C2	H11	118.2°	120.8°
N2	C3	C4	H11	116.2°	119.6°
N2	C3	C4	C5	49.9°	47.5°
N2	C3	C4	H2	169.9°	167.8°
N2	C3	C4	H3	70.1°	72.9°
C3	N2	C7	H4	90.5°	164.4°
C3	N2	C7	H5	150.0°	75.6°
C7	C6	C10	C11	172.6°	179.2°
C7	C6	C10	C5	174.6°	179.7°
C7	C6	C5	C13	174.5°	179.2°
C7	C6	C5	C4	1.6°	1.3°
C6	C7	H4	H5	119.3°	119.9°
C7	C6	C10	H6	7.4°	0.7°
C11	C10	C6	H6	180.0°	180.0°
C10	C11	C12	H16	180.0°	180.0°
C11	C10	C6	C5	2.0°	0.4°
C10	C11	C12	C13	0.3°	0.2°
C10	C11	C12	H17	179.8°	179.8°
C6	C10	C11	C12	2.0°	0.1°
C10	C6	C5	C13	0.3°	0.4°
C10	C6	C5	C4	176.4°	179.1°
C10	C6	C7	H4	101.3°	48.9°
C10	C6	C7	H5	18.3°	71.1°
C6	C10	C11	H16	178.0°	179.9°
C2	N1	N	H1	180.0°	179.8°
C2	N1	N	C1	32.9°	179.8°
N1	C2	C3	C4	93.3°	119.5°
N1	C2	C3	H11	21.9°	1.3°
C2	N1	N	H12	147.1°	0.2°
C3	C2	N1	N	141.5°	180.0°
C2	C3	C4	H11	115.2°	120.8°
C2	C3	C4	C5	78.7°	167.1°
C3	C2	N1	H1	38.5°	0.2°
C2	C3	C4	H2	41.3°	72.6°
C2	C3	C4	H3	161.2°	46.8°
C11	C12	C13	H17	180.0°	179.9°
C11	C12	C13	C5	1.5°	0.3°
C12	C11	C10	H6	178.0°	179.9°
C11	C12	C13	H7	178.5°	179.8°
C6	C5	C4	C3	45.8°	20.1°
C6	C5	C13	C12	1.4°	0.1°
C6	C5	C13	C4	175.9°	179.5°
C6	C5	C4	H2	165.9°	140.4°
C6	C5	C4	H3	74.1°	100.3°
C5	C6	C7	H4	84.1°	131.5°
C5	C6	C7	H5	156.4°	108.6°
C5	C6	C10	H6	178.0°	179.6°
C6	C5	C13	H7	178.6°	179.9°
N1	N	C1	H12	180.0°	180.0°
N1	N	C1	O	155.9°	0.0°
N1	N	C1	C	23.3°	180.0°
N	C1	O	C	179.1°	180.0°
C1	N	N1	H1	147.1°	0.0°
N	C1	C	H13	179.2°	0.0°
N	C1	C	H14	60.8°	120.0°
N	C1	C	H15	59.2°	120.0°
C3	C4	C5	C13	130.1°	160.4°
C3	C4	C5	H2	120.0°	120.3°
C3	C4	C5	H3	120.0°	120.3°
C3	C4	H2	H3	120.0°	119.3°
O	C1	N	H12	24.2°	180.0°
O	C1	C	H13	0.0°	180.0°
O	C1	C	H14	120.0°	60.0°
O	C1	C	H15	120.0°	60.0°
C	C1	N	H12	156.7°	0.0°
C1	C	H13	H14	120.0°	120.1°
C1	C	H13	H15	120.0°	120.0°
C1	C	H14	H15	120.0°	120.0°
C12	C13	C5	H7	180.0°	179.9°
C12	C13	C5	C4	174.5°	179.4°
C13	C12	C11	H16	179.8°	179.8°
C13	C5	C4	H2	10.1°	40.2°
C13	C5	C4	H3	109.9°	79.2°
C5	C13	C12	H17	178.5°	179.8°
C5	C4	H2	H3	120.0°	119.4°
C4	C5	C13	H7	5.5°	0.6°
C5	C4	C3	H11	166.1°	72.1°
H1	N1	N	H12	32.9°	180.0°
H2	C4	C3	H11	73.9°	48.2°
H3	C4	C3	H11	46.1°	167.5°
H6	C10	C11	H16	2.0°	0.1°
H7	C13	C12	H17	1.5°	0.1°
H8	C9	H9	H10	120.0°	120.0°
H13	C	H14	H15	120.0°	120.0°
H16	C11	C12	H17	0.2°	0.1°

Release date:	2023-11-08
Definition date:	2023-08-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GCP