09T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N12	C13	sing	1.36Å	1.34Å	Aromatic
N12	C11	doub	1.30Å	1.37Å	Aromatic
C14	C13	doub	1.40Å	1.39Å	Aromatic
C14	C15	sing	1.37Å	1.38Å	Aromatic
C13	C20	sing	1.41Å	1.40Å	Aromatic
C16	C15	sing	1.51Å	1.50Å
C11	N10	sing	1.36Å	1.35Å	Aromatic
C15	C17	doub	1.39Å	1.38Å	Aromatic
C20	N10	sing	1.38Å	1.37Å	Aromatic
C20	C19	doub	1.39Å	1.40Å	Aromatic
N10	C9	sing	1.47Å	1.48Å
C17	C19	sing	1.38Å	1.38Å	Aromatic
C17	C18	sing	1.51Å	1.50Å
C9	C5	sing	1.51Å	1.51Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C2	C7	sing	1.38Å	1.39Å	Aromatic
C2	CL1	sing	1.74Å	1.82Å
C7	CL8	sing	1.74Å	1.80Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	N12	C11	107.5°	109.7°
N12	C13	C14	132.2°	133.6°
N12	C13	C20	107.5°	106.9°
N12	C11	N10	110.4°	110.1°
N12	C11	H6	124.8°	124.9°
C13	C14	C15	120.1°	119.9°
C14	C13	C20	120.3°	119.5°
C13	C14	H14	120.0°	120.1°
C14	C15	C16	119.3°	119.7°
C14	C15	C17	120.5°	120.6°
C15	C14	H14	120.0°	120.0°
C13	C20	N10	108.4°	106.0°
C13	C20	C19	118.2°	119.8°
C16	C15	C17	120.2°	119.6°
C15	C16	H11	109.5°	109.5°
C15	C16	H12	109.5°	109.4°
C15	C16	H13	109.4°	109.4°
C11	N10	C20	106.2°	107.3°
C11	N10	C9	125.9°	126.4°
N10	C11	H6	124.8°	125.0°
C15	C17	C19	119.4°	120.4°
C15	C17	C18	120.2°	119.8°
N10	C20	C19	133.4°	134.2°
C20	N10	C9	127.9°	126.3°
C20	C19	C17	121.4°	119.7°
C20	C19	H7	119.3°	120.2°
N10	C9	C5	111.3°	109.4°
N10	C9	H4	108.9°	109.5°
N10	C9	H5	108.9°	109.4°
C19	C17	C18	120.4°	119.8°
C17	C19	H7	119.3°	120.1°
C17	C18	H8	109.5°	109.5°
C17	C18	H9	109.5°	109.5°
C17	C18	H10	109.4°	109.5°
C9	C5	C4	119.5°	120.0°
C9	C5	C6	119.5°	119.9°
C5	C9	H4	108.8°	109.5°
C5	C9	H5	108.9°	109.5°
C5	C4	C3	121.4°	120.0°
C4	C5	C6	121.0°	120.0°
C5	C4	H1	119.3°	120.0°
C4	C3	C2	117.7°	120.1°
C3	C4	H1	119.3°	120.0°
C4	C3	H3	121.2°	119.9°
C5	C6	C7	117.3°	120.0°
C5	C6	H2	121.3°	120.0°
C3	C2	C7	120.7°	119.9°
C3	C2	CL1	121.1°	120.1°
C2	C3	H3	121.1°	120.0°
C6	C7	C2	121.8°	120.0°
C6	C7	CL8	120.6°	120.0°
C7	C6	H2	121.3°	120.0°
C7	C2	CL1	118.3°	120.0°
C2	C7	CL8	117.6°	120.0°
H4	C9	H5	110.1°	109.5°
H8	C18	H9	109.5°	109.5°
H8	C18	H10	109.5°	109.4°
H9	C18	H10	109.5°	109.5°
H11	C16	H12	109.5°	109.5°
H11	C16	H13	109.4°	109.5°
H12	C16	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N12	C13	C14	C20	179.0°	180.0°
N12	C13	C14	C15	177.7°	180.0°
C13	N12	C11	N10	0.9°	0.0°
N12	C13	C20	N10	1.7°	0.0°
N12	C13	C20	C19	178.7°	180.0°
C13	N12	C11	H6	179.0°	180.0°
N12	C13	C14	H14	2.4°	0.0°
C11	N12	C13	C14	179.4°	180.0°
C11	N12	C13	C20	1.6°	0.0°
N12	C11	N10	H6	180.0°	180.0°
N12	C11	N10	C20	0.1°	0.0°
N12	C11	N10	C9	180.0°	180.0°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	179.5°	179.9°
C13	C14	C15	C17	1.2°	0.0°
C14	C13	C20	N10	179.1°	180.0°
C14	C13	C20	C19	0.5°	0.0°
C15	C14	C13	C20	1.3°	0.0°
C14	C15	C16	C17	178.4°	179.9°
C14	C15	C17	C19	0.3°	0.0°
C14	C15	C17	C18	179.0°	179.9°
C14	C15	C16	H11	90.8°	89.9°
C14	C15	C16	H12	149.2°	30.1°
C14	C15	C16	H13	29.2°	150.0°
C13	C20	N10	C11	1.1°	0.0°
C13	C20	N10	C19	179.5°	180.0°
C13	C20	N10	C9	179.0°	180.0°
C13	C20	C19	C17	0.4°	0.0°
C13	C20	C19	H7	179.6°	180.0°
C20	C13	C14	H14	178.7°	180.0°
C16	C15	C17	C19	178.6°	179.9°
C16	C15	C17	C18	0.6°	0.0°
C15	C16	H11	H12	120.0°	120.0°
C15	C16	H11	H13	120.0°	120.0°
C15	C16	H12	H13	120.0°	119.9°
C16	C15	C14	H14	0.4°	0.1°
C11	N10	C20	C9	179.9°	180.0°
C11	N10	C20	C19	179.4°	180.0°
C11	N10	C9	C5	90.7°	95.0°
C11	N10	C9	H4	29.3°	145.0°
C11	N10	C9	H5	149.3°	25.0°
C15	C17	C19	C20	0.6°	0.0°
C15	C17	C19	C18	179.2°	180.0°
C15	C17	C19	H7	179.5°	180.0°
C15	C17	C18	H8	90.4°	90.0°
C15	C17	C18	H9	149.6°	150.0°
C15	C17	C18	H10	29.6°	30.0°
C17	C15	C16	H11	90.8°	90.0°
C17	C15	C16	H12	29.2°	150.0°
C17	C15	C16	H13	149.2°	30.1°
C17	C15	C14	H14	178.8°	180.0°
N10	C20	C19	C17	179.9°	180.0°
C20	N10	C9	C5	89.2°	85.1°
C20	N10	C9	H4	150.8°	35.0°
C20	N10	C9	H5	30.8°	155.0°
C20	N10	C11	H6	179.9°	180.0°
N10	C20	C19	H7	0.1°	0.1°
C19	C20	N10	C9	0.5°	0.0°
C20	C19	C17	H7	180.0°	180.0°
C20	C19	C17	C18	179.8°	180.0°
N10	C9	C5	H4	120.0°	120.0°
N10	C9	C5	H5	120.0°	119.9°
N10	C9	C5	C4	111.1°	90.0°
N10	C9	C5	C6	69.5°	90.1°
N10	C9	H4	H5	119.3°	119.9°
C9	N10	C11	H6	0.0°	0.0°
C19	C17	C18	H8	90.4°	90.1°
C19	C17	C18	H9	29.6°	30.0°
C19	C17	C18	H10	149.6°	150.0°
C18	C17	C19	H7	0.2°	0.0°
C17	C18	H8	H9	120.0°	120.1°
C17	C18	H8	H10	120.0°	120.0°
C17	C18	H9	H10	120.0°	120.0°
C9	C5	C4	C6	179.4°	179.9°
C9	C5	C4	C3	179.7°	180.0°
C9	C5	C6	C7	179.4°	179.9°
C9	C5	C4	H1	0.3°	0.4°
C9	C5	C6	H2	0.6°	0.1°
C5	C9	H4	H5	119.2°	120.0°
C5	C4	C3	H1	180.0°	179.6°
C5	C4	C3	C2	0.1°	0.0°
C4	C5	C6	C7	1.2°	0.1°
C4	C5	C6	H2	178.8°	180.0°
C5	C4	C3	H3	179.9°	179.9°
C4	C5	C9	H4	8.9°	149.9°
C4	C5	C9	H5	129.0°	29.9°
C3	C4	C5	C6	0.9°	0.1°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C7	0.2°	0.0°
C4	C3	C2	CL1	179.5°	180.0°
C5	C6	C7	H2	180.0°	180.0°
C5	C6	C7	C2	0.8°	0.0°
C5	C6	C7	CL8	178.8°	180.0°
C6	C5	C4	H1	179.1°	179.7°
C6	C5	C9	H4	170.5°	29.9°
C6	C5	C9	H5	50.5°	150.0°
C3	C2	C7	C6	0.1°	0.0°
C3	C2	C7	CL1	179.8°	180.0°
C3	C2	C7	CL8	179.5°	180.0°
C2	C3	C4	H1	179.8°	179.7°
C6	C7	C2	CL8	179.6°	180.0°
C6	C7	C2	CL1	179.9°	180.0°
C2	C7	C6	H2	179.2°	180.0°
C7	C2	C3	H3	179.8°	180.0°
CL1	C2	C7	CL8	0.3°	0.0°
CL1	C2	C3	H3	0.5°	0.0°
CL8	C7	C6	H2	1.2°	0.0°
H1	C4	C3	H3	0.2°	0.3°
H8	C18	H9	H10	120.0°	119.9°
H11	C16	H12	H13	120.0°	120.0°

Definition date:	2011-11-09
Last modified:	2012-06-01
Release status:	REL
Processing site:	RCSB
Derived from:	3UIC