O6M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C11	trip	1.14Å	1.15Å
C11	C10	sing	1.43Å	1.44Å
C10	C9	doub	1.40Å	1.39Å	Aromatic
C10	C12	sing	1.40Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C12	C6	doub	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C6	S1	sing	1.76Å	1.76Å
O2	S1	doub	1.42Å	1.43Å
O1	S1	doub	1.42Å	1.43Å
S1	N1	sing	1.66Å	1.63Å
N1	C5	sing	1.40Å	1.43Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.39Å	1.40Å	Aromatic
C5	C13	sing	1.40Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C13	N3	sing	1.38Å	1.38Å	Aromatic
C13	C17	doub	1.40Å	1.40Å	Aromatic
C2	C17	sing	1.39Å	1.41Å	Aromatic
C2	C1	sing	1.51Å	1.50Å
N3	C14	sing	1.36Å	1.37Å	Aromatic
C17	C15	sing	1.47Å	1.44Å	Aromatic
C14	C15	doub	1.36Å	1.38Å	Aromatic
C15	C16	sing	1.43Å	1.42Å
C16	N4	trip	1.14Å	1.15Å
C12	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.08Å	1.08Å
C4	H7	sing	1.08Å	1.08Å
N1	H8	sing	0.97Å	1.00Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
N3	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C11	C10	177.5°	180.0°
C11	C10	C9	120.6°	120.2°
C11	C10	C12	119.9°	120.1°
C9	C10	C12	119.5°	119.7°
C10	C9	C8	119.8°	119.9°
C10	C9	H11	120.1°	120.1°
C10	C12	C6	120.3°	119.8°
C10	C12	H1	119.8°	120.0°
C9	C8	C7	120.8°	120.1°
C9	C8	H10	119.6°	120.0°
C8	C9	H11	120.1°	120.0°
C12	C6	C7	120.4°	120.2°
C12	C6	S1	119.3°	119.9°
C6	C12	H1	119.9°	120.1°
C8	C7	C6	119.2°	120.3°
C8	C7	H9	120.4°	119.8°
C7	C8	H10	119.6°	119.9°
C7	C6	S1	120.3°	119.9°
C6	C7	H9	120.4°	119.8°
C6	S1	O2	108.1°	106.5°
C6	S1	O1	108.1°	106.4°
C6	S1	N1	108.5°	107.2°
O2	S1	O1	119.2°	123.2°
O2	S1	N1	107.1°	106.4°
O1	S1	N1	105.5°	106.4°
S1	N1	C5	129.9°	120.0°
S1	N1	H8	104.1°	120.0°
N1	C5	C4	122.9°	120.1°
N1	C5	C13	118.8°	120.1°
C5	N1	H8	104.2°	120.0°
C5	C4	C3	120.4°	120.5°
C4	C5	C13	118.3°	119.8°
C5	C4	H7	119.8°	119.7°
C4	C3	C2	122.0°	120.4°
C4	C3	H6	119.0°	119.8°
C3	C4	H7	119.8°	119.7°
C5	C13	N3	129.8°	133.2°
C5	C13	C17	122.2°	119.4°
C3	C2	C17	117.9°	119.8°
C3	C2	C1	120.8°	120.1°
C2	C3	H6	119.0°	119.8°
N3	C13	C17	108.0°	107.5°
C13	N3	C14	109.8°	110.3°
C13	N3	H12	125.1°	124.8°
C13	C17	C2	119.1°	120.1°
C13	C17	C15	106.1°	105.9°
C17	C2	C1	121.3°	120.1°
C2	C17	C15	134.8°	134.0°
C2	C1	H3	109.5°	109.4°
C2	C1	H4	109.5°	109.5°
C2	C1	H5	109.5°	109.5°
N3	C14	C15	108.5°	109.7°
N3	C14	H2	125.7°	125.1°
C14	N3	H12	125.1°	124.9°
C17	C15	C14	107.7°	106.5°
C17	C15	C16	127.5°	126.7°
C14	C15	C16	124.8°	126.7°
C15	C14	H2	125.8°	125.2°
C15	C16	N4	177.8°	180.0°
H3	C1	H4	109.5°	109.5°
H3	C1	H5	109.4°	109.5°
H4	C1	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C11	C10	C9	105.7°	74.8°
N2	C11	C10	C12	73.7°	105.4°
C11	C10	C9	C12	179.4°	179.8°
C11	C10	C9	C8	179.4°	179.7°
C11	C10	C12	C6	179.8°	179.7°
C11	C10	C12	H1	0.2°	0.3°
C11	C10	C9	H11	0.6°	0.3°
C10	C9	C8	H11	180.0°	180.0°
C9	C10	C12	C6	0.4°	0.0°
C10	C9	C8	C7	0.0°	0.0°
C9	C10	C12	H1	179.6°	180.0°
C10	C9	C8	H10	180.0°	179.9°
C12	C10	C9	C8	0.0°	0.0°
C10	C12	C6	H1	180.0°	180.0°
C10	C12	C6	C7	0.8°	0.0°
C10	C12	C6	S1	179.7°	180.0°
C12	C10	C9	H11	180.0°	180.0°
C9	C8	C7	H10	180.0°	180.0°
C9	C8	C7	C6	0.4°	0.0°
C9	C8	C7	H9	179.6°	180.0°
C12	C6	C7	C8	0.8°	0.0°
C12	C6	C7	S1	178.9°	180.0°
C12	C6	S1	O2	12.0°	156.5°
C12	C6	S1	O1	118.3°	23.5°
C12	C6	S1	N1	127.9°	90.0°
C12	C6	C7	H9	179.2°	180.0°
C8	C7	C6	H9	180.0°	180.0°
C8	C7	C6	S1	179.7°	180.0°
C7	C8	C9	H11	180.0°	180.0°
C7	C6	S1	O2	169.0°	23.5°
C7	C6	S1	O1	60.7°	156.5°
C7	C6	S1	N1	53.2°	90.0°
C7	C6	C12	H1	179.3°	180.0°
C6	C7	C8	H10	179.6°	180.0°
C6	S1	O2	O1	123.8°	123.0°
C6	S1	O2	N1	116.7°	114.1°
C6	S1	O1	N1	115.9°	114.1°
C6	S1	N1	C5	65.3°	60.4°
S1	C6	C12	H1	0.3°	0.0°
C6	S1	N1	H8	57.4°	119.6°
S1	C6	C7	H9	0.3°	0.0°
O2	S1	O1	N1	120.3°	122.9°
O2	S1	N1	C5	51.2°	53.2°
O2	S1	N1	H8	173.8°	126.8°
O1	S1	N1	C5	179.1°	173.9°
O1	S1	N1	H8	58.2°	6.1°
S1	N1	C5	H8	122.6°	180.0°
S1	N1	C5	C4	12.4°	35.6°
S1	N1	C5	C13	168.6°	144.5°
N1	C5	C4	C13	179.0°	180.0°
N1	C5	C4	C3	179.2°	180.0°
N1	C5	C13	N3	1.0°	0.0°
N1	C5	C13	C17	179.2°	180.0°
N1	C5	C4	H7	0.8°	0.0°
C5	C4	C3	H7	180.0°	180.0°
C5	C4	C3	C2	0.3°	0.0°
C4	C5	C13	N3	180.0°	180.0°
C4	C5	C13	C17	0.1°	0.0°
C5	C4	C3	H6	179.7°	180.0°
C4	C5	N1	H8	110.2°	144.4°
C3	C4	C5	C13	0.2°	0.0°
C4	C3	C2	H6	180.0°	179.9°
C4	C3	C2	C17	0.3°	0.1°
C4	C3	C2	C1	179.9°	180.0°
C5	C13	N3	C17	179.9°	180.0°
C5	C13	C17	C2	0.1°	0.0°
C5	C13	N3	C14	179.7°	179.7°
C5	C13	C17	C15	179.8°	179.6°
C13	C5	C4	H7	179.8°	180.0°
C13	C5	N1	H8	68.8°	35.5°
C5	C13	N3	H12	0.3°	0.0°
C3	C2	C17	C13	0.3°	0.0°
C3	C2	C17	C1	179.5°	180.0°
C3	C2	C17	C15	179.6°	179.5°
C3	C2	C1	H3	90.2°	90.0°
C3	C2	C1	H4	149.8°	30.0°
C3	C2	C1	H5	29.8°	150.0°
C2	C3	C4	H7	179.7°	180.0°
N3	C13	C17	C2	180.0°	180.0°
C13	N3	C14	H12	180.0°	179.7°
N3	C13	C17	C15	0.1°	0.4°
C13	N3	C14	C15	0.1°	0.0°
C13	N3	C14	H2	179.9°	179.8°
C13	C17	C2	C15	179.9°	179.4°
C13	C17	C2	C1	179.8°	180.0°
C17	C13	N3	C14	0.1°	0.3°
C13	C17	C15	C14	0.0°	0.4°
C13	C17	C15	C16	179.4°	179.5°
C17	C13	N3	H12	179.8°	180.0°
C2	C17	C15	C14	179.9°	179.9°
C2	C17	C15	C16	0.7°	0.0°
C17	C2	C1	H3	90.3°	90.0°
C17	C2	C1	H4	29.8°	150.0°
C17	C2	C1	H5	149.8°	30.0°
C17	C2	C3	H6	179.7°	180.0°
C1	C2	C17	C15	0.1°	0.6°
C2	C1	H3	H4	120.0°	120.0°
C2	C1	H3	H5	120.0°	120.0°
C2	C1	H4	H5	120.0°	120.0°
C1	C2	C3	H6	0.1°	0.0°
N3	C14	C15	C17	0.1°	0.3°
N3	C14	C15	H2	180.0°	179.8°
N3	C14	C15	C16	179.4°	179.7°
C17	C15	C14	C16	179.4°	179.9°
C17	C15	C16	N4	149.7°	41.1°
C17	C15	C14	H2	179.9°	180.0°
C14	C15	C16	N4	29.6°	139.0°
C15	C14	N3	H12	179.9°	179.7°
C16	C15	C14	H2	0.6°	0.1°
H2	C14	N3	H12	0.1°	0.1°
H3	C1	H4	H5	120.0°	120.0°
H6	C3	C4	H7	0.3°	0.1°
H9	C7	C8	H10	0.4°	0.0°
H10	C8	C9	H11	0.0°	0.0°

Release date:	2019-09-18
Definition date:	2019-06-12
Last modified:	2019-09-13
Release status:	REL
Processing site:	RCSB
Derived from:	6PAI