4T6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.40Å	1.41Å	Aromatic
N21	C16	doub	1.31Å	1.30Å	Aromatic
N21	N19	sing	1.40Å	1.40Å	Aromatic
N15	C13	sing	1.39Å	1.39Å
N15	C16	sing	1.40Å	1.40Å
C11	N10	sing	1.33Å	1.33Å	Aromatic
C13	N14	doub	1.33Å	1.33Å	Aromatic
C16	C17	sing	1.40Å	1.43Å	Aromatic
N19	C18	sing	1.35Å	1.35Å	Aromatic
N10	C9	doub	1.32Å	1.33Å	Aromatic
N14	C9	sing	1.32Å	1.33Å	Aromatic
C17	C18	doub	1.35Å	1.37Å	Aromatic
C18	C22	sing	1.51Å	1.52Å
C9	N8	sing	1.38Å	1.39Å
C22	C24	sing	1.53Å	1.53Å
C22	C23	sing	1.53Å	1.53Å
N8	C7	sing	1.47Å	1.47Å
C24	C23	sing	1.53Å	1.53Å
C1	C2	doub	1.37Å	1.39Å	Aromatic
C1	C6	sing	1.39Å	1.40Å	Aromatic
C7	C6	sing	1.51Å	1.51Å
C2	C3	sing	1.40Å	1.38Å	Aromatic
C6	C5	doub	1.38Å	1.37Å	Aromatic
C3	C4	doub	1.40Å	1.42Å	Aromatic
C3	N28	sing	1.36Å	1.38Å	Aromatic
C5	C4	sing	1.39Å	1.41Å	Aromatic
C5	CL1	sing	1.74Å	1.75Å
C4	N26	sing	1.38Å	1.35Å	Aromatic
N28	C27	doub	1.30Å	1.36Å	Aromatic
N26	C27	sing	1.36Å	1.30Å	Aromatic
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.08Å	1.08Å
C22	H4	sing	1.09Å	1.10Å
C24	H5	sing	1.09Å	1.10Å
C24	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å
N8	H9	sing	0.97Å	1.00Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
N15	H12	sing	0.97Å	1.00Å
N19	H13	sing	0.97Å	1.00Å
C23	H14	sing	1.09Å	1.10Å
C23	H15	sing	1.09Å	1.10Å
N26	H16	sing	0.97Å	1.00Å
C27	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C13	118.5°	118.5°
C12	C11	N10	118.9°	119.3°
C12	C11	H10	120.6°	120.4°
C11	C12	H11	120.7°	120.7°
C12	C13	N15	118.7°	120.4°
C12	C13	N14	119.1°	119.0°
C13	C12	H11	120.8°	120.8°
C16	N21	N19	108.4°	108.1°
N21	C16	N15	120.3°	125.9°
N21	C16	C17	107.9°	108.1°
N21	N19	C18	109.4°	108.1°
N21	N19	H13	125.3°	125.9°
C13	N15	C16	126.0°	120.0°
N15	C13	N14	122.2°	120.5°
C13	N15	H12	117.0°	120.0°
N15	C16	C17	131.8°	126.0°
C16	N15	H12	117.0°	120.0°
C11	N10	C9	121.5°	120.9°
N10	C11	H10	120.6°	120.4°
C13	N14	C9	120.8°	120.6°
C16	C17	C18	107.5°	107.8°
C16	C17	H3	126.2°	126.1°
N19	C18	C17	106.7°	107.9°
N19	C18	C22	122.1°	126.1°
C18	N19	H13	125.3°	126.0°
N10	C9	N14	121.2°	121.7°
N10	C9	N8	118.5°	119.1°
N14	C9	N8	120.3°	119.2°
C17	C18	C22	131.2°	126.1°
C18	C17	H3	126.2°	126.1°
C18	C22	C24	119.0°	117.5°
C18	C22	C23	120.8°	117.5°
C18	C22	H4	115.4°	115.5°
C9	N8	C7	122.6°	120.1°
C9	N8	H9	106.1°	120.0°
C24	C22	C23	60.0°	60.0°
C22	C24	C23	60.1°	60.0°
C24	C22	H4	115.2°	117.5°
C22	C24	H5	120.0°	117.5°
C22	C24	H6	120.0°	117.6°
C22	C23	C24	60.0°	60.0°
C23	C22	H4	115.1°	117.5°
C22	C23	H14	120.0°	117.5°
C22	C23	H15	120.0°	117.4°
N8	C7	C6	112.2°	109.5°
N8	C7	H1	108.8°	109.5°
N8	C7	H2	108.7°	109.4°
C7	N8	H9	106.1°	119.9°
C23	C24	H5	120.0°	117.5°
C23	C24	H6	120.0°	117.5°
C24	C23	H14	120.0°	117.5°
C24	C23	H15	120.0°	117.5°
C2	C1	C6	122.0°	120.7°
C1	C2	C3	118.5°	119.9°
C2	C1	H7	119.0°	119.7°
C1	C2	H8	120.8°	120.0°
C1	C6	C7	121.8°	119.8°
C1	C6	C5	120.0°	120.5°
C6	C1	H7	119.0°	119.7°
C7	C6	C5	118.2°	119.7°
C6	C7	H1	108.8°	109.4°
C6	C7	H2	108.8°	109.5°
C2	C3	C4	119.9°	119.5°
C2	C3	N28	133.4°	133.6°
C3	C2	H8	120.7°	120.1°
C6	C5	C4	118.7°	119.6°
C6	C5	CL1	120.1°	120.2°
C4	C3	N28	106.7°	106.9°
C3	C4	C5	120.8°	119.8°
C3	C4	N26	106.5°	106.0°
C3	N28	C27	106.4°	109.7°
C4	C5	CL1	121.1°	120.1°
C5	C4	N26	132.7°	134.2°
C4	N26	C27	109.3°	107.3°
C4	N26	H16	125.3°	126.4°
N28	C27	N26	111.0°	110.1°
N28	C27	H17	124.5°	125.0°
C27	N26	H16	125.3°	126.4°
N26	C27	H17	124.5°	124.9°
H1	C7	H2	109.5°	109.5°
H5	C24	H6	109.5°	115.5°
H14	C23	H15	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C13	H11	180.0°	179.9°
C11	C12	C13	N15	179.5°	179.8°
C12	C11	N10	H10	180.0°	180.0°
C11	C12	C13	N14	2.0°	0.1°
C12	C11	N10	C9	1.3°	0.0°
C12	C13	N15	N14	177.4°	179.7°
C12	C13	N15	C16	163.0°	174.6°
C13	C12	C11	N10	1.1°	0.1°
C12	C13	N14	C9	3.1°	0.0°
C13	C12	C11	H10	178.9°	179.9°
C12	C13	N15	H12	17.0°	5.4°
N21	C16	N15	C13	165.5°	174.2°
N21	C16	N15	C17	177.4°	180.0°
C16	N21	N19	C18	0.5°	0.4°
N21	C16	C17	C18	0.1°	0.0°
N21	C16	C17	H3	179.9°	179.8°
N21	C16	N15	H12	14.5°	5.8°
C16	N21	N19	H13	179.5°	180.0°
N19	N21	C16	N15	178.2°	179.8°
N19	N21	C16	C17	0.2°	0.2°
N21	N19	C18	H13	180.0°	179.6°
N21	N19	C18	C17	0.6°	0.4°
N21	N19	C18	C22	179.3°	179.7°
C13	N15	C16	H12	180.0°	180.0°
C13	N15	C16	C17	17.1°	5.8°
N15	C13	N14	C9	179.5°	179.7°
N15	C13	C12	H11	0.5°	0.4°
C16	N15	C13	N14	19.6°	5.7°
N15	C16	C17	C18	177.5°	180.0°
N15	C16	C17	H3	2.5°	0.2°
C11	N10	C9	N14	2.4°	0.1°
C11	N10	C9	N8	179.1°	180.0°
N10	C11	C12	H11	178.9°	179.9°
C13	N14	C9	N10	3.3°	0.1°
C13	N14	C9	N8	178.2°	180.0°
N14	C13	C12	H11	178.0°	179.9°
N14	C13	N15	H12	160.4°	174.3°
C16	C17	C18	N19	0.5°	0.3°
C16	C17	C18	H3	180.0°	179.7°
C16	C17	C18	C22	179.0°	179.8°
C17	C16	N15	H12	162.9°	174.2°
N19	C18	C17	C22	178.5°	179.9°
N19	C18	C22	C24	117.5°	35.1°
N19	C18	C22	C23	172.1°	33.6°
N19	C18	C17	H3	179.5°	180.0°
N19	C18	C22	H4	25.8°	179.3°
N10	C9	N14	N8	178.5°	179.9°
N10	C9	N8	C7	175.0°	0.1°
N10	C9	N8	H9	53.1°	180.0°
C9	N10	C11	H10	178.7°	180.0°
N14	C9	N8	C7	6.5°	179.9°
N14	C9	N8	H9	128.3°	0.1°
C17	C18	C22	C24	64.1°	145.0°
C17	C18	C22	C23	6.2°	146.3°
C17	C18	C22	H4	152.5°	0.6°
C17	C18	N19	H13	179.4°	180.0°
C18	C22	C24	C23	110.9°	107.6°
C18	C22	C24	H4	143.4°	144.9°
C18	C22	C23	H4	146.4°	145.1°
C22	C18	C17	H3	1.0°	0.1°
C18	C22	C24	H5	1.4°	0.1°
C18	C22	C24	H6	139.6°	145.0°
C22	C18	N19	H13	0.7°	0.1°
C18	C22	C23	H14	142.7°	145.0°
C18	C22	C23	H15	1.6°	0.0°
C9	N8	C7	H9	121.8°	180.0°
C9	N8	C7	C6	85.2°	179.9°
C9	N8	C7	H1	35.2°	60.0°
C9	N8	C7	H2	154.4°	60.0°
C24	C22	C23	H4	105.8°	107.5°
C22	C24	C23	H5	109.5°	107.5°
C22	C24	C23	H6	109.5°	107.5°
C22	C24	H5	H6	144.7°	145.7°
C24	C22	C23	H14	109.4°	107.5°
C24	C22	C23	H15	109.4°	107.5°
C22	C23	H14	H15	144.8°	145.7°
N8	C7	C6	C1	3.0°	100.0°
N8	C7	C6	H1	120.4°	120.0°
N8	C7	C6	H2	120.4°	120.0°
N8	C7	C6	C5	178.4°	80.0°
N8	C7	H1	H2	118.7°	120.0°
C23	C24	H5	H6	144.7°	145.6°
C24	C23	H14	H15	144.7°	145.7°
C2	C1	C6	H7	180.0°	179.6°
C2	C1	C6	C7	179.0°	180.0°
C1	C2	C3	H8	180.0°	179.6°
C2	C1	C6	C5	0.5°	0.0°
C1	C2	C3	C4	2.4°	0.7°
C1	C2	C3	N28	176.9°	180.0°
C1	C6	C7	C5	178.6°	180.0°
C6	C1	C2	C3	2.1°	0.3°
C1	C6	C5	C4	2.8°	0.0°
C1	C6	C5	CL1	178.8°	180.0°
C1	C6	C7	H1	117.4°	20.0°
C1	C6	C7	H2	123.4°	140.0°
C6	C1	C2	H8	177.9°	180.0°
C7	C6	C5	C4	178.6°	180.0°
C7	C6	C5	CL1	2.6°	0.0°
C6	C7	H1	H2	118.8°	120.0°
C7	C6	C1	H7	1.0°	0.4°
C6	C7	N8	H9	153.0°	0.0°
C2	C3	C4	N28	179.5°	179.5°
C2	C3	C4	C5	0.1°	0.7°
C2	C3	C4	N26	179.1°	179.6°
C2	C3	N28	C27	177.4°	179.2°
C3	C2	C1	H7	177.8°	180.0°
C6	C5	C4	C3	2.5°	0.4°
C6	C5	C4	CL1	176.0°	180.0°
C6	C5	C4	N26	176.2°	180.0°
C5	C6	C7	H1	61.2°	160.0°
C5	C6	C7	H2	58.0°	40.0°
C5	C6	C1	H7	179.5°	179.6°
C3	C4	C5	N26	178.7°	179.6°
C3	C4	C5	CL1	178.5°	179.6°
C4	C3	N28	C27	1.9°	0.2°
C3	C4	N26	C27	1.5°	0.3°
C4	C3	C2	H8	177.6°	179.7°
C3	C4	N26	H16	178.5°	179.7°
N28	C3	C4	C5	179.3°	179.8°
N28	C3	C4	N26	0.3°	0.1°
C3	N28	C27	N26	3.0°	0.4°
N28	C3	C2	H8	3.1°	0.3°
C3	N28	C27	H17	177.0°	179.9°
C5	C4	N26	C27	177.3°	180.0°
C5	C4	N26	H16	2.7°	0.0°
CL1	C5	C4	N26	0.2°	0.0°
C4	N26	C27	N28	2.8°	0.5°
C4	N26	C27	H16	180.0°	180.0°
C4	N26	C27	H17	177.2°	180.0°
N28	C27	N26	H17	180.0°	179.5°
N28	C27	N26	H16	177.2°	179.5°
H1	C7	N8	H9	86.6°	120.0°
H2	C7	N8	H9	32.5°	120.0°
H4	C22	C24	H5	144.8°	145.0°
H4	C22	C24	H6	3.8°	0.0°
H4	C22	C23	H14	3.7°	0.0°
H4	C22	C23	H15	144.8°	145.0°
H5	C24	C23	H14	141.0°	145.0°
H5	C24	C23	H15	0.0°	0.1°
H6	C24	C23	H14	0.0°	0.0°
H6	C24	C23	H15	141.1°	145.0°
H7	C1	C2	H8	2.2°	0.4°
H10	C11	C12	H11	1.1°	0.1°
H16	N26	C27	H17	2.8°	0.0°

Release date:	2015-07-01
Definition date:	2015-05-21
Last modified:	2015-06-26
Release status:	REL
Processing site:	RCSB
Derived from:	4ZY6