M3A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	trip	1.14Å	1.15Å
C12	C13	doub	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C	C1	sing	1.43Å	1.44Å
C13	C8	sing	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.40Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C1	C15	sing	1.40Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C8	N5	sing	1.40Å	1.43Å
C8	C9	doub	1.39Å	1.40Å	Aromatic
N5	C7	sing	1.35Å	1.37Å
C10	C9	sing	1.38Å	1.39Å	Aromatic
C4	C14	sing	1.39Å	1.39Å	Aromatic
C4	N1	sing	1.39Å	1.42Å
N6	N4	sing	1.40Å	1.38Å	Aromatic
N6	C5	doub	1.31Å	1.32Å	Aromatic
C7	N4	sing	1.35Å	1.44Å
C7	O	doub	1.21Å	1.23Å
N1	C5	sing	1.39Å	1.36Å
N4	C6	sing	1.36Å	1.39Å	Aromatic
C5	N2	sing	1.34Å	1.36Å	Aromatic
C6	N2	doub	1.31Å	1.33Å	Aromatic
C6	N3	sing	1.38Å	1.33Å
N1	H1	sing	0.97Å	1.00Å
C9	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
N3	H6	sing	0.97Å	1.00Å
N3	H7	sing	0.97Å	1.00Å
C13	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C3	H12	sing	1.08Å	1.08Å
N5	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	179.0°	179.9°
C13	C12	C11	120.5°	120.1°
C12	C13	C8	120.8°	119.9°
C13	C12	H5	119.8°	120.0°
C12	C13	H8	119.6°	120.0°
C12	C11	C10	119.4°	120.1°
C12	C11	H4	120.3°	119.9°
C11	C12	H5	119.8°	119.9°
C	C1	C2	120.3°	120.0°
C	C1	C15	120.2°	120.1°
C13	C8	N5	117.3°	120.1°
C13	C8	C9	118.5°	119.9°
C8	C13	H8	119.6°	120.1°
C1	C2	C3	120.1°	119.9°
C2	C1	C15	119.5°	119.8°
C1	C2	H11	119.9°	120.1°
C2	C3	C4	120.5°	120.0°
C3	C2	H11	120.0°	120.0°
C2	C3	H12	119.8°	119.9°
C1	C15	C14	120.4°	119.9°
C1	C15	H10	119.8°	120.0°
C11	C10	C9	120.8°	120.1°
C11	C10	H3	119.6°	119.9°
C10	C11	H4	120.3°	120.0°
C3	C4	C14	119.1°	120.2°
C3	C4	N1	124.9°	119.9°
C4	C3	H12	119.7°	120.0°
C15	C14	C4	120.4°	120.1°
C15	C14	H9	119.8°	119.9°
C14	C15	H10	119.8°	120.1°
N5	C8	C9	124.2°	120.1°
C8	N5	C7	126.4°	120.0°
C8	N5	H13	116.8°	120.0°
C8	C9	C10	120.1°	119.9°
C8	C9	H2	120.0°	120.0°
N5	C7	N4	116.9°	120.0°
N5	C7	O	123.1°	120.0°
C7	N5	H13	116.8°	120.0°
C10	C9	H2	120.0°	120.1°
C9	C10	H3	119.6°	120.0°
C14	C4	N1	115.9°	119.9°
C4	C14	H9	119.8°	120.0°
C4	N1	C5	132.8°	120.0°
C4	N1	H1	113.6°	120.0°
N4	N6	C5	102.3°	107.0°
N6	N4	C7	121.5°	126.9°
N6	N4	C6	108.4°	106.3°
N6	C5	N1	121.4°	125.4°
N6	C5	N2	116.7°	109.3°
N4	C7	O	120.0°	120.0°
C7	N4	C6	130.1°	126.8°
N1	C5	N2	121.9°	125.4°
C5	N1	H1	113.6°	120.0°
N4	C6	N2	110.2°	107.7°
N4	C6	N3	123.8°	126.1°
C5	N2	C6	102.4°	109.8°
N2	C6	N3	126.0°	126.1°
C6	N3	H6	109.5°	120.0°
C6	N3	H7	109.4°	119.9°
H6	N3	H7	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	C2	14.4°	154.4°
N	C	C1	C15	165.8°	25.5°
C13	C12	C11	H5	180.0°	179.5°
C12	C13	C8	H8	180.0°	179.4°
C13	C12	C11	C10	0.4°	0.3°
C12	C13	C8	N5	179.9°	179.7°
C12	C13	C8	C9	0.2°	0.6°
C13	C12	C11	H4	179.6°	179.7°
C11	C12	C13	C8	0.3°	0.6°
C12	C11	C10	H4	180.0°	180.0°
C12	C11	C10	C9	0.5°	0.0°
C12	C11	C10	H3	179.6°	180.0°
C11	C12	C13	H8	179.7°	180.0°
C	C1	C2	C15	179.9°	179.9°
C	C1	C2	C3	179.8°	179.8°
C	C1	C15	C14	179.6°	180.0°
C	C1	C15	H10	0.4°	0.1°
C	C1	C2	H11	0.2°	0.0°
C13	C8	N5	C9	179.7°	179.7°
C13	C8	N5	C7	116.5°	146.5°
C13	C8	C9	C10	0.2°	0.3°
C13	C8	C9	H2	179.7°	179.8°
C8	C13	C12	H5	179.7°	180.0°
C13	C8	N5	H13	63.5°	33.5°
C1	C2	C3	H11	180.0°	179.8°
C1	C2	C3	C4	0.1°	0.5°
C2	C1	C15	C14	0.3°	0.1°
C2	C1	C15	H10	179.7°	180.0°
C1	C2	C3	H12	179.9°	179.9°
C3	C2	C1	C15	0.1°	0.3°
C2	C3	C4	H12	180.0°	179.5°
C2	C3	C4	C14	0.1°	0.5°
C2	C3	C4	N1	179.5°	179.8°
C1	C15	C14	H10	180.0°	179.9°
C1	C15	C14	C4	0.3°	0.1°
C1	C15	C14	H9	179.7°	180.0°
C15	C1	C2	H11	179.9°	179.9°
C11	C10	C9	C8	0.4°	0.0°
C11	C10	C9	H3	180.0°	179.9°
C11	C10	C9	H2	179.6°	179.9°
C10	C11	C12	H5	179.6°	179.8°
C3	C4	C14	C15	0.2°	0.3°
C3	C4	C14	N1	179.6°	179.7°
C3	C4	N1	C5	6.8°	148.2°
C3	C4	N1	H1	173.2°	31.7°
C3	C4	C14	H9	179.8°	179.8°
C4	C3	C2	H11	179.9°	179.7°
C15	C14	C4	H9	180.0°	179.9°
C15	C14	C4	N1	179.8°	180.0°
C8	N5	C7	H13	180.0°	180.0°
N5	C8	C9	C10	179.9°	180.0°
C8	N5	C7	N4	179.9°	174.9°
C8	N5	C7	O	0.0°	5.2°
N5	C8	C9	H2	0.0°	0.1°
N5	C8	C13	H8	0.0°	0.3°
C9	C8	N5	C7	63.2°	33.8°
C8	C9	C10	H2	180.0°	179.9°
C8	C9	C10	H3	179.7°	180.0°
C9	C8	C13	H8	179.8°	180.0°
C9	C8	N5	H13	116.8°	146.2°
N5	C7	N4	N6	0.4°	0.4°
N5	C7	N4	O	179.9°	179.9°
N5	C7	N4	C6	179.7°	179.9°
C9	C10	C11	H4	179.6°	180.0°
C14	C4	N1	C5	173.6°	31.5°
C14	C4	N1	H1	6.4°	148.6°
C4	C14	C15	H10	179.7°	180.0°
C14	C4	C3	H12	180.0°	179.9°
C4	N1	C5	N6	10.7°	174.1°
C4	N1	C5	H1	180.0°	179.9°
C4	N1	C5	N2	170.1°	5.5°
N1	C4	C14	H9	0.2°	0.1°
N1	C4	C3	H12	0.5°	0.2°
N6	N4	C7	C6	180.0°	179.6°
N6	N4	C7	O	179.7°	179.5°
N4	N6	C5	N1	179.2°	179.7°
N4	N6	C5	N2	0.0°	0.0°
N6	N4	C6	N2	0.0°	0.3°
N6	N4	C6	N3	179.5°	180.0°
C5	N6	N4	C7	179.9°	179.9°
N6	C5	N1	N2	179.2°	179.6°
C5	N6	N4	C6	0.0°	0.2°
N6	C5	N2	C6	0.0°	0.2°
N6	C5	N1	H1	169.3°	6.0°
C7	N4	C6	N2	179.9°	180.0°
C7	N4	C6	N3	0.5°	0.3°
N4	C7	N5	H13	0.1°	5.1°
O	C7	N4	C6	0.2°	0.2°
O	C7	N5	H13	180.0°	174.8°
N1	C5	N2	C6	179.2°	179.9°
N4	C6	N2	C5	0.0°	0.4°
N4	C6	N2	N3	179.5°	179.7°
N4	C6	N3	H6	179.5°	179.6°
N4	C6	N3	H7	59.5°	0.4°
C5	N2	C6	N3	179.5°	179.9°
N2	C5	N1	H1	9.9°	174.4°
N2	C6	N3	H6	0.0°	0.0°
N2	C6	N3	H7	120.0°	180.0°
C6	N3	H6	H7	120.0°	180.0°
H2	C9	C10	H3	0.4°	0.1°
H3	C10	C11	H4	0.4°	0.1°
H4	C11	C12	H5	0.4°	0.3°
H5	C12	C13	H8	0.3°	0.5°
H9	C14	C15	H10	0.3°	0.1°
H11	C2	C3	H12	0.1°	0.2°

Release date:	2020-03-25
Definition date:	2019-03-19
Last modified:	2020-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	6OAV