L9N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.45Å	Aromatic
C1	C6	sing	1.38Å	1.45Å	Aromatic
N1	N4	sing	1.40Å	1.35Å	Aromatic
N1	C9	doub	1.30Å	1.37Å	Aromatic
S1	C12	sing	1.77Å	1.71Å	Aromatic
S1	C18	sing	1.76Å	1.74Å	Aromatic
C2	C3	sing	1.38Å	1.45Å	Aromatic
N2	N5	sing	1.26Å	1.36Å	Aromatic
N2	C12	doub	1.30Å	1.35Å	Aromatic
C3	C4	doub	1.38Å	1.45Å	Aromatic
C3	CL1	sing	1.51Å	1.77Å
N3	C10	sing	1.47Å	1.48Å
C4	C5	sing	1.38Å	1.43Å	Aromatic
N4	C14	sing	1.37Å	1.35Å	Aromatic
C5	C6	doub	1.38Å	1.45Å	Aromatic
N5	C18	doub	1.30Å	1.38Å	Aromatic
C6	C8	sing	1.51Å	1.53Å
N6	C7	sing	1.47Å	1.45Å
N6	C12	sing	1.39Å	1.46Å
C7	C10	sing	1.53Å	1.54Å
C8	C10	sing	1.53Å	1.55Å
C9	C15	sing	1.46Å	1.43Å	Aromatic
C11	C13	doub	1.36Å	1.49Å	Aromatic
C11	C17	sing	1.40Å	1.48Å	Aromatic
C13	C14	sing	1.39Å	1.46Å	Aromatic
C14	C15	doub	1.41Å	1.50Å	Aromatic
C15	C16	sing	1.40Å	1.45Å	Aromatic
C16	C17	doub	1.39Å	1.48Å	Aromatic
C17	C18	sing	1.48Å	1.51Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
N3	HN3	sing	1.01Å	1.00Å
N3	HN3A	sing	1.01Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
N4	HN4	sing	0.97Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
N6	HN6	sing	0.97Å	1.00Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
CL1	HL1	sing	1.09Å	1.10Å
CL1	HL1A	sing	1.09Å	1.10Å
CL1	HL1B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	118.4°	120.1°
C1	C2	C3	116.9°	120.0°
C2	C1	H1	120.8°	120.0°
C1	C2	H2	121.5°	120.0°
C1	C6	C5	123.6°	119.9°
C1	C6	C8	118.2°	120.1°
C6	C1	H1	120.8°	119.9°
N4	N1	C9	105.6°	110.1°
N1	N4	C14	118.0°	109.1°
N1	N4	HN4	121.0°	125.5°
N1	C9	C15	108.8°	107.8°
N1	C9	H9	125.6°	126.1°
C12	S1	C18	94.1°	88.9°
S1	C12	N2	105.2°	107.8°
S1	C12	N6	127.9°	126.1°
S1	C18	N5	109.7°	107.8°
S1	C18	C17	125.1°	126.1°
C2	C3	C4	124.8°	120.0°
C2	C3	CL1	120.1°	120.0°
C3	C2	H2	121.5°	120.0°
N5	N2	C12	121.4°	117.7°
N2	N5	C18	109.5°	117.7°
N2	C12	N6	126.9°	126.1°
C4	C3	CL1	115.1°	120.0°
C3	C4	C5	118.0°	120.0°
C3	C4	H4	121.0°	120.0°
C3	CL1	HL1	109.5°	109.5°
C3	CL1	HL1A	109.5°	109.4°
C3	CL1	HL1B	109.5°	109.5°
N3	C10	C7	107.9°	109.5°
N3	C10	C8	110.3°	109.5°
C10	N3	HN3	109.5°	111.0°
C10	N3	HN3A	109.4°	111.0°
N3	C10	H10	111.2°	109.4°
C4	C5	C6	118.2°	120.0°
C5	C4	H4	121.0°	120.0°
C4	C5	H5	120.9°	120.1°
N4	C14	C13	138.3°	133.6°
N4	C14	C15	100.6°	106.7°
C14	N4	HN4	121.0°	125.4°
C5	C6	C8	118.2°	120.0°
C6	C5	H5	120.9°	119.9°
N5	C18	C17	125.1°	126.0°
C6	C8	C10	110.2°	109.5°
C6	C8	H8	109.2°	109.5°
C6	C8	H8A	109.2°	109.5°
C7	N6	C12	122.5°	120.0°
N6	C7	C10	109.4°	109.5°
C7	N6	HN6	105.3°	120.0°
N6	C7	H7	109.5°	109.5°
N6	C7	H7A	109.5°	109.4°
C12	N6	HN6	105.3°	120.0°
C7	C10	C8	112.8°	109.5°
C10	C7	H7	109.5°	109.5°
C10	C7	H7A	109.5°	109.5°
C7	C10	H10	108.7°	109.5°
C10	C8	H8	109.3°	109.5°
C10	C8	H8A	109.2°	109.5°
C8	C10	H10	106.1°	109.4°
C9	C15	C14	107.0°	106.3°
C9	C15	C16	134.1°	133.9°
C15	C9	H9	125.6°	126.1°
C13	C11	C17	122.2°	120.7°
C11	C13	C14	118.3°	120.2°
C13	C11	H11	118.9°	119.7°
C11	C13	H13	120.8°	119.9°
C11	C17	C16	117.0°	120.2°
C11	C17	C18	123.1°	119.9°
C17	C11	H11	118.9°	119.6°
C13	C14	C15	121.0°	119.8°
C14	C13	H13	120.8°	119.9°
C14	C15	C16	118.9°	119.8°
C15	C16	C17	122.5°	119.4°
C15	C16	H16	118.7°	120.3°
C16	C17	C18	119.9°	119.9°
C17	C16	H16	118.8°	120.3°
HN3	N3	HN3A	109.5°	111.0°
H7	C7	H7A	109.5°	109.5°
H8	C8	H8A	109.7°	109.4°
HL1	CL1	HL1A	109.5°	109.5°
HL1	CL1	HL1B	109.4°	109.5°
HL1A	CL1	HL1B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.7°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.1°
C1	C2	C3	CL1	179.6°	180.0°
C2	C1	C6	C5	0.4°	0.0°
C2	C1	C6	C8	178.2°	180.0°
C6	C1	C2	C3	0.0°	0.0°
C1	C6	C5	C4	0.4°	0.1°
C1	C6	C5	C8	178.6°	180.0°
C1	C6	C8	C10	79.0°	90.0°
C6	C1	C2	H2	180.0°	180.0°
C1	C6	C5	H5	179.6°	180.0°
C1	C6	C8	H8	161.0°	150.0°
C1	C6	C8	H8A	40.9°	30.1°
N1	N4	C14	HN4	180.0°	180.0°
N4	N1	C9	C15	0.1°	0.0°
N1	N4	C14	C13	179.9°	179.9°
N1	N4	C14	C15	0.0°	0.0°
N4	N1	C9	H9	179.8°	180.0°
C9	N1	N4	C14	0.1°	0.0°
N1	C9	C15	H9	180.0°	180.0°
N1	C9	C15	C14	0.2°	0.0°
N1	C9	C15	C16	179.9°	179.9°
C9	N1	N4	HN4	179.9°	180.0°
S1	C12	N2	N5	0.0°	0.1°
S1	C12	N2	N6	179.9°	180.0°
C12	S1	C18	N5	0.0°	0.0°
S1	C12	N6	C7	10.2°	180.0°
C12	S1	C18	C17	179.7°	180.0°
S1	C12	N6	HN6	109.8°	0.1°
S1	C18	N5	N2	0.0°	0.1°
C18	S1	C12	N2	0.0°	0.0°
S1	C18	N5	C17	179.6°	179.9°
C18	S1	C12	N6	179.9°	180.0°
S1	C18	C17	C11	176.0°	0.0°
S1	C18	C17	C16	3.3°	180.0°
C2	C3	C4	CL1	179.9°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C3	C2	C1	H1	180.0°	179.7°
C2	C3	C4	H4	179.7°	180.0°
C2	C3	CL1	HL1	90.0°	90.0°
C2	C3	CL1	HL1A	149.9°	150.0°
C2	C3	CL1	HL1B	29.9°	30.1°
N5	N2	C12	N6	179.9°	180.0°
N2	N5	C18	C17	179.7°	180.0°
C12	N2	N5	C18	0.0°	0.1°
N2	C12	N6	C7	169.7°	0.0°
N2	C12	N6	HN6	70.3°	179.9°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.0°	0.0°
C4	C3	C2	H2	179.7°	180.0°
C3	C4	C5	H5	179.9°	180.0°
C4	C3	CL1	HL1	90.1°	90.0°
C4	C3	CL1	HL1A	30.0°	30.0°
C4	C3	CL1	HL1B	150.0°	150.0°
CL1	C3	C4	C5	179.6°	180.0°
CL1	C3	C2	H2	0.5°	0.0°
CL1	C3	C4	H4	0.4°	0.1°
C3	CL1	HL1	HL1A	120.0°	120.0°
C3	CL1	HL1	HL1B	120.0°	120.0°
C3	CL1	HL1A	HL1B	120.0°	119.9°
N3	C10	C8	C6	174.9°	64.9°
N3	C10	C7	N6	83.4°	55.0°
N3	C10	C7	C8	122.1°	120.0°
N3	C10	C7	H10	120.6°	120.0°
N3	C10	C8	H10	120.5°	119.9°
C10	N3	HN3	HN3A	120.0°	123.9°
N3	C10	C7	H7	36.6°	65.0°
N3	C10	C7	H7A	156.6°	174.9°
N3	C10	C8	H8	65.1°	175.0°
N3	C10	C8	H8A	55.0°	55.1°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C8	178.2°	180.0°
N4	C14	C15	C9	0.1°	0.0°
N4	C14	C13	C11	180.0°	179.9°
N4	C14	C13	C15	179.9°	180.0°
N4	C14	C15	C16	180.0°	179.9°
N4	C14	C13	H13	0.0°	0.0°
C5	C6	C8	C10	99.6°	90.0°
C5	C6	C1	H1	179.6°	179.7°
C6	C5	C4	H4	179.9°	179.9°
C5	C6	C8	H8	20.4°	30.0°
C5	C6	C8	H8A	140.4°	149.9°
N5	C18	C17	C11	3.5°	179.9°
N5	C18	C17	C16	177.2°	0.1°
C6	C8	C10	C7	64.4°	175.0°
C6	C8	C10	H8	120.0°	120.0°
C6	C8	C10	H8A	120.0°	120.0°
C8	C6	C1	H1	1.8°	0.3°
C8	C6	C5	H5	1.8°	0.0°
C6	C8	H8	H8A	119.7°	120.0°
C6	C8	C10	H10	54.4°	55.0°
C7	N6	C12	HN6	120.0°	179.9°
N6	C7	C10	H7	120.0°	120.0°
N6	C7	C10	H7A	120.0°	120.0°
N6	C7	C10	C8	154.5°	175.0°
N6	C7	H7	H7A	120.0°	120.0°
N6	C7	C10	H10	37.2°	65.0°
C12	N6	C7	C10	70.8°	180.0°
C12	N6	C7	H7	169.2°	60.0°
C12	N6	C7	H7A	49.2°	60.0°
C7	C10	C8	H10	118.8°	120.0°
C7	C10	N3	HN3	180.0°	64.0°
C7	C10	N3	HN3A	60.0°	60.0°
C10	C7	N6	HN6	169.2°	0.0°
C10	C7	H7	H7A	120.0°	120.0°
C7	C10	C8	H8	55.6°	55.0°
C7	C10	C8	H8A	175.6°	64.9°
C8	C10	N3	HN3	56.4°	176.0°
C8	C10	N3	HN3A	176.5°	60.0°
C8	C10	C7	H7	85.5°	55.0°
C8	C10	C7	H7A	34.5°	65.0°
C10	C8	H8	H8A	119.7°	120.0°
C9	C15	C14	C13	180.0°	180.0°
C9	C15	C14	C16	179.9°	179.9°
C9	C15	C16	C17	179.8°	179.9°
C9	C15	C16	H16	0.2°	0.1°
C13	C11	C17	H11	180.0°	179.9°
C11	C13	C14	H13	180.0°	179.9°
C11	C13	C14	C15	0.2°	0.0°
C13	C11	C17	C16	0.0°	0.0°
C13	C11	C17	C18	179.3°	180.0°
C17	C11	C13	C14	0.2°	0.0°
C11	C17	C16	C15	0.1°	0.0°
C11	C17	C16	C18	179.3°	180.0°
C17	C11	C13	H13	179.9°	180.0°
C11	C17	C16	H16	179.8°	179.9°
C13	C14	C15	C16	0.0°	0.1°
C13	C14	N4	HN4	0.1°	0.0°
C14	C13	C11	H11	179.8°	179.9°
C14	C15	C16	C17	0.1°	0.0°
C15	C14	N4	HN4	180.0°	180.0°
C14	C15	C9	H9	179.8°	180.0°
C15	C14	C13	H13	179.8°	180.0°
C14	C15	C16	H16	179.9°	179.9°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C18	179.2°	180.0°
C16	C15	C9	H9	0.1°	0.1°
C16	C17	C11	H11	179.9°	179.9°
C18	C17	C11	H11	0.6°	0.1°
C18	C17	C16	H16	0.8°	0.0°
H1	C1	C2	H2	0.0°	0.3°
HN3	N3	C10	H10	61.0°	56.1°
HN3A	N3	C10	H10	59.1°	180.0°
H4	C4	C5	H5	0.1°	0.0°
HN6	N6	C7	H7	49.2°	120.0°
HN6	N6	C7	H7A	70.8°	120.0°
H7	C7	C10	H10	157.2°	175.0°
H7A	C7	C10	H10	82.8°	55.0°
H8	C8	C10	H10	174.4°	65.1°
H8A	C8	C10	H10	65.5°	175.0°
H11	C11	C13	H13	0.2°	0.2°
HL1	CL1	HL1A	HL1B	119.9°	120.1°

Definition date:	2010-04-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3L9N