2TT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	N14	doub	1.32Å	1.35Å	Aromatic
C13	C12	sing	1.38Å	1.41Å	Aromatic
N14	C15	sing	1.32Å	1.34Å	Aromatic
C12	C11	doub	1.40Å	1.41Å	Aromatic
C15	N16	sing	1.39Å	1.39Å
C15	C22	doub	1.39Å	1.37Å	Aromatic
C11	C22	sing	1.39Å	1.38Å	Aromatic
C11	N10	sing	1.39Å	1.39Å
N16	C17	sing	1.35Å	1.37Å
O9	C8	doub	1.22Å	1.23Å
N10	C8	sing	1.35Å	1.34Å
C8	C7	sing	1.48Å	1.46Å
C17	C19	sing	1.51Å	1.51Å
C17	O18	doub	1.21Å	1.22Å
C19	C20	sing	1.53Å	1.53Å
C19	C21	sing	1.53Å	1.54Å
CL1	C2	sing	1.74Å	1.73Å
C7	C2	doub	1.40Å	1.40Å	Aromatic
C7	C6	sing	1.40Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.36Å	Aromatic
C20	C21	sing	1.53Å	1.53Å
C6	C5	doub	1.38Å	1.36Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
N10	H5	sing	0.97Å	1.00Å
C12	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
N16	H8	sing	0.97Å	1.00Å
C19	H9	sing	1.09Å	1.10Å
C20	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
C21	H12	sing	1.09Å	1.10Å
C21	H13	sing	1.09Å	1.10Å
C22	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N14	C13	C12	121.4°	121.0°
C13	N14	C15	121.9°	121.8°
N14	C13	H7	119.3°	119.6°
C13	C12	C11	116.7°	119.2°
C13	C12	H6	121.7°	120.4°
C12	C13	H7	119.3°	119.5°
N14	C15	N16	122.8°	119.7°
N14	C15	C22	118.9°	120.7°
C12	C11	C22	118.7°	118.3°
C12	C11	N10	128.1°	120.8°
C11	C12	H6	121.7°	120.4°
N16	C15	C22	118.3°	119.6°
C15	N16	C17	128.8°	120.0°
C15	N16	H8	115.6°	120.0°
C15	C22	C11	122.2°	119.0°
C15	C22	H14	118.9°	120.5°
C22	C11	N10	112.0°	120.8°
C11	C22	H14	118.9°	120.5°
C11	N10	C8	130.5°	120.0°
C11	N10	H5	114.7°	120.0°
N16	C17	C19	118.5°	120.0°
N16	C17	O18	123.1°	120.0°
C17	N16	H8	115.6°	120.0°
O9	C8	N10	125.0°	120.1°
O9	C8	C7	123.3°	119.9°
N10	C8	C7	111.7°	120.0°
C8	N10	H5	114.7°	120.0°
C8	C7	C2	124.0°	120.2°
C8	C7	C6	115.4°	120.2°
C19	C17	O18	118.4°	120.0°
C17	C19	C20	117.1°	117.5°
C17	C19	C21	119.3°	117.5°
C17	C19	H9	116.5°	115.5°
C20	C19	C21	59.8°	60.0°
C19	C20	C21	60.3°	60.0°
C20	C19	H9	116.2°	117.5°
C19	C20	H10	120.0°	117.5°
C19	C20	H11	120.0°	117.5°
C19	C21	C20	59.9°	60.0°
C21	C19	H9	116.0°	117.5°
C19	C21	H12	120.0°	117.5°
C19	C21	H13	120.0°	117.5°
CL1	C2	C7	123.3°	120.1°
CL1	C2	C3	117.6°	120.1°
C2	C7	C6	120.5°	119.7°
C7	C2	C3	119.1°	119.8°
C7	C6	C5	120.0°	119.9°
C7	C6	H2	120.0°	120.0°
C2	C3	C4	119.0°	120.1°
C2	C3	H3	120.5°	119.9°
C21	C20	H10	120.0°	117.5°
C21	C20	H11	119.9°	117.5°
C20	C21	H12	120.0°	117.5°
C20	C21	H13	120.0°	117.5°
C6	C5	C4	118.4°	120.2°
C5	C6	H2	120.0°	120.1°
C6	C5	H4	120.8°	119.9°
C3	C4	C5	122.9°	120.3°
C3	C4	H1	118.5°	119.8°
C4	C3	H3	120.5°	120.0°
C5	C4	H1	118.6°	119.9°
C4	C5	H4	120.8°	119.9°
H10	C20	H11	109.5°	115.6°
H12	C21	H13	109.4°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N14	C13	C12	H7	180.0°	179.9°
N14	C13	C12	C11	1.3°	0.0°
C13	N14	C15	N16	178.0°	180.0°
C13	N14	C15	C22	0.7°	0.1°
N14	C13	C12	H6	178.6°	179.9°
C12	C13	N14	C15	0.5°	0.1°
C13	C12	C11	H6	180.0°	179.9°
C13	C12	C11	C22	4.4°	0.0°
C13	C12	C11	N10	171.1°	179.7°
N14	C15	N16	C22	178.8°	180.0°
N14	C15	C22	C11	4.0°	0.1°
N14	C15	N16	C17	176.5°	5.1°
C15	N14	C13	H7	179.5°	180.0°
N14	C15	N16	H8	3.5°	175.0°
N14	C15	C22	H14	176.0°	179.7°
C12	C11	C22	C15	5.9°	0.0°
C12	C11	C22	N10	168.8°	179.7°
C12	C11	N10	C8	57.9°	35.2°
C12	C11	N10	H5	122.0°	144.8°
C11	C12	C13	H7	178.6°	179.9°
C12	C11	C22	H14	174.1°	179.6°
N16	C15	C22	C11	174.8°	180.0°
C15	N16	C17	H8	180.0°	179.9°
C15	N16	C17	C19	179.4°	174.9°
C15	N16	C17	O18	0.9°	5.1°
N16	C15	C22	H14	5.2°	0.4°
C15	C22	C11	H14	180.0°	179.6°
C15	C22	C11	N10	174.7°	179.7°
C22	C15	N16	C17	4.7°	175.0°
C22	C15	N16	H8	175.3°	5.0°
C22	C11	N10	C8	134.6°	145.1°
C22	C11	N10	H5	45.5°	35.0°
C22	C11	C12	H6	175.6°	179.9°
C11	N10	C8	O9	0.8°	4.6°
C11	N10	C8	H5	180.0°	180.0°
C11	N10	C8	C7	179.4°	175.3°
N10	C11	C12	H6	8.8°	0.3°
N10	C11	C22	H14	5.3°	0.1°
N16	C17	C19	O18	178.6°	180.0°
N16	C17	C19	C20	136.7°	180.0°
N16	C17	C19	C21	154.5°	111.4°
N16	C17	C19	H9	7.2°	34.3°
O9	C8	N10	C7	178.6°	180.0°
O9	C8	C7	C2	16.9°	0.0°
O9	C8	C7	C6	166.5°	179.7°
O9	C8	N10	H5	179.2°	175.3°
N10	C8	C7	C2	161.7°	180.0°
N10	C8	C7	C6	14.9°	0.3°
C8	C7	C2	CL1	4.8°	0.3°
C8	C7	C2	C6	176.4°	179.7°
C8	C7	C2	C3	177.7°	179.7°
C8	C7	C6	C5	177.5°	179.7°
C8	C7	C6	H2	2.5°	0.3°
C7	C8	N10	H5	0.6°	4.7°
C17	C19	C20	C21	109.7°	107.5°
C17	C19	C20	H9	144.0°	145.0°
C17	C19	C21	H9	147.4°	145.0°
C19	C17	N16	H8	0.6°	5.0°
C17	C19	C20	H10	140.7°	145.0°
C17	C19	C20	H11	0.2°	0.1°
C17	C19	C21	H12	3.3°	0.1°
C17	C19	C21	H13	144.5°	145.0°
O18	C17	C19	C20	41.9°	0.0°
O18	C17	C19	C21	26.9°	68.6°
O18	C17	N16	H8	179.1°	175.0°
O18	C17	C19	H9	174.2°	145.7°
C20	C19	C21	H9	106.5°	107.4°
C19	C20	C21	H10	109.6°	107.5°
C19	C20	C21	H11	109.6°	107.5°
C19	C20	H10	H11	144.6°	145.7°
C20	C19	C21	H12	109.5°	107.5°
C20	C19	C21	H13	109.4°	107.5°
C19	C21	H12	H13	144.8°	145.7°
CL1	C2	C7	C3	177.5°	180.0°
CL1	C2	C7	C6	178.8°	179.9°
CL1	C2	C3	C4	178.8°	180.0°
CL1	C2	C3	H3	1.2°	0.0°
C2	C7	C6	C5	0.8°	0.1°
C7	C2	C3	C4	1.2°	0.0°
C2	C7	C6	H2	179.2°	180.0°
C7	C2	C3	H3	178.8°	180.0°
C6	C7	C2	C3	1.3°	0.0°
C7	C6	C5	H2	180.0°	180.0°
C7	C6	C5	C4	0.2°	0.0°
C7	C6	C5	H4	179.8°	179.9°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	H1	179.4°	179.9°
C21	C20	H10	H11	144.5°	145.7°
C20	C21	H12	H13	144.8°	145.6°
C6	C5	C4	C3	0.1°	0.0°
C6	C5	C4	H4	180.0°	180.0°
C6	C5	C4	H1	179.9°	179.9°
C3	C4	C5	H1	180.0°	180.0°
C3	C4	C5	H4	179.9°	180.0°
C4	C5	C6	H2	179.8°	180.0°
C5	C4	C3	H3	179.4°	180.0°
H1	C4	C3	H3	0.7°	0.1°
H1	C4	C5	H4	0.1°	0.0°
H2	C6	C5	H4	0.2°	0.1°
H6	C12	C13	H7	1.4°	0.0°
H9	C19	C20	H10	3.3°	0.0°
H9	C19	C20	H11	144.2°	145.0°
H9	C19	C21	H12	144.1°	145.1°
H9	C19	C21	H13	3.0°	0.0°
H10	C20	C21	H12	141.0°	145.0°
H10	C20	C21	H13	0.2°	0.0°
H11	C20	C21	H12	0.1°	0.0°
H11	C20	C21	H13	141.0°	145.0°

Release date:	2014-05-28
Definition date:	2014-01-30
Last modified:	2014-05-23
Release status:	REL
Processing site:	RCSB
Derived from:	4OLI