19T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C9	sing	1.74Å	1.82Å
C10	C9	doub	1.34Å	1.37Å	Aromatic
C10	C11	sing	1.38Å	1.42Å	Aromatic
C9	S8	sing	1.76Å	1.68Å	Aromatic
C11	C7	doub	1.35Å	1.38Å	Aromatic
C7	S8	sing	1.76Å	1.67Å	Aromatic
C7	C2	sing	1.47Å	1.41Å
N3	C2	doub	1.33Å	1.37Å	Aromatic
N3	C4	sing	1.32Å	1.33Å	Aromatic
C2	N7	sing	1.33Å	1.35Å	Aromatic
C15	C14	sing	1.53Å	1.52Å
C13	C4	sing	1.51Å	1.53Å
C4	C5	doub	1.38Å	1.41Å	Aromatic
N7	C6	doub	1.33Å	1.28Å	Aromatic
C18	C19	doub	1.38Å	1.43Å	Aromatic
C18	C17	sing	1.39Å	1.42Å	Aromatic
C5	C6	sing	1.40Å	1.41Å	Aromatic
C5	C14	sing	1.51Å	1.51Å
C6	N16	sing	1.39Å	1.35Å
C19	C20	sing	1.38Å	1.41Å	Aromatic
N16	C17	sing	1.40Å	1.38Å
C17	C22	doub	1.39Å	1.39Å	Aromatic
C20	C23	sing	1.51Å	1.54Å
C20	C21	doub	1.38Å	1.37Å	Aromatic
O25	C24	doub	1.21Å	1.22Å
C23	C24	sing	1.51Å	1.50Å
C22	C21	sing	1.38Å	1.37Å	Aromatic
C24	O26	sing	1.34Å	1.25Å
O26	H1	sing	0.97Å	0.95Å
C23	H2	sing	1.09Å	1.10Å
C23	H3	sing	1.09Å	1.10Å
C19	H4	sing	1.08Å	1.08Å
C18	H5	sing	1.08Å	1.08Å
C21	H6	sing	1.08Å	1.08Å
C22	H7	sing	1.08Å	1.08Å
N16	H8	sing	0.97Å	1.00Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.08Å	1.08Å
C10	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C9	C10	124.4°	125.1°
CL1	C9	S8	123.8°	125.1°
C9	C10	C11	111.8°	115.0°
C10	C9	S8	111.8°	109.7°
C9	C10	H18	124.1°	122.5°
C10	C11	C7	111.5°	114.8°
C10	C11	H17	124.3°	122.6°
C11	C10	H18	124.1°	122.5°
C9	S8	C7	92.8°	91.0°
C11	C7	S8	112.1°	109.5°
C11	C7	C2	124.6°	125.3°
C7	C11	H17	124.2°	122.6°
S8	C7	C2	123.3°	125.3°
C7	C2	N3	120.8°	119.2°
C7	C2	N7	116.3°	119.2°
C2	N3	C4	118.4°	120.9°
N3	C2	N7	122.6°	121.6°
N3	C4	C13	120.1°	120.4°
N3	C4	C5	119.1°	119.4°
C2	N7	C6	121.4°	120.6°
C15	C14	C5	108.7°	109.5°
C15	C14	H9	109.7°	109.5°
C15	C14	H10	109.7°	109.4°
C14	C15	H11	109.5°	109.5°
C14	C15	H12	109.5°	109.5°
C14	C15	H13	109.4°	109.5°
C13	C4	C5	120.8°	120.3°
C4	C13	H14	109.5°	109.5°
C4	C13	H15	109.5°	109.5°
C4	C13	H16	109.5°	109.5°
C4	C5	C6	119.7°	118.5°
C4	C5	C14	120.4°	120.8°
N7	C6	C5	118.8°	119.1°
N7	C6	N16	121.2°	120.5°
C19	C18	C17	118.3°	119.9°
C18	C19	C20	120.1°	120.1°
C18	C19	H4	120.0°	120.0°
C19	C18	H5	120.8°	120.0°
C18	C17	N16	121.7°	120.1°
C18	C17	C22	119.3°	119.8°
C17	C18	H5	120.9°	120.1°
C6	C5	C14	119.8°	120.7°
C5	C6	N16	120.1°	120.5°
C5	C14	H9	109.7°	109.5°
C5	C14	H10	109.6°	109.5°
C6	N16	C17	124.4°	120.0°
C6	N16	H8	117.8°	120.0°
C19	C20	C23	121.1°	119.9°
C19	C20	C21	119.6°	120.1°
C20	C19	H4	119.9°	119.9°
N16	C17	C22	119.0°	120.1°
C17	N16	H8	117.8°	120.0°
C17	C22	C21	121.6°	120.0°
C17	C22	H7	119.2°	120.0°
C23	C20	C21	119.2°	119.9°
C20	C23	C24	110.0°	109.5°
C20	C23	H2	109.3°	109.5°
C20	C23	H3	109.3°	109.5°
C20	C21	C22	121.1°	120.0°
C20	C21	H6	119.5°	120.0°
O25	C24	C23	115.5°	120.0°
O25	C24	O26	122.8°	120.0°
C23	C24	O26	121.6°	120.0°
C24	C23	H2	109.3°	109.5°
C24	C23	H3	109.3°	109.4°
C22	C21	H6	119.5°	120.0°
C21	C22	H7	119.2°	120.0°
C24	O26	H1	109.5°	117.0°
H2	C23	H3	109.5°	109.4°
H9	C14	H10	109.5°	109.5°
H11	C15	H12	109.5°	109.4°
H11	C15	H13	109.5°	109.5°
H12	C15	H13	109.5°	109.4°
H14	C13	H15	109.5°	109.4°
H14	C13	H16	109.5°	109.5°
H15	C13	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C9	C10	S8	179.5°	179.7°
CL1	C9	C10	C11	179.7°	179.7°
CL1	C9	S8	C7	179.9°	179.7°
CL1	C9	C10	H18	0.3°	0.2°
C9	C10	C11	H18	180.0°	180.0°
C9	C10	C11	C7	0.4°	0.0°
C10	C9	S8	C7	0.5°	0.0°
C9	C10	C11	H17	179.6°	180.0°
C11	C10	C9	S8	0.2°	0.0°
C10	C11	C7	H17	180.0°	180.0°
C10	C11	C7	S8	0.8°	0.0°
C10	C11	C7	C2	179.0°	180.0°
C9	S8	C7	C11	0.8°	0.0°
C9	S8	C7	C2	179.0°	180.0°
S8	C9	C10	H18	179.8°	180.0°
C11	C7	S8	C2	178.2°	180.0°
C11	C7	C2	N3	0.8°	0.2°
C11	C7	C2	N7	172.7°	180.0°
C7	C11	C10	H18	179.6°	180.0°
S8	C7	C2	N3	178.8°	179.7°
S8	C7	C2	N7	5.3°	0.1°
S8	C7	C11	H17	179.2°	180.0°
C7	C2	N3	N7	173.0°	179.8°
C7	C2	N3	C4	176.3°	179.7°
C7	C2	N7	C6	175.8°	179.7°
C2	C7	C11	H17	1.0°	0.0°
C2	N3	C4	C13	179.7°	180.0°
C2	N3	C4	C5	1.3°	0.0°
N3	C2	N7	C6	2.5°	0.1°
C4	N3	C2	N7	3.3°	0.0°
N3	C4	C13	C5	179.0°	180.0°
N3	C4	C5	C6	1.4°	0.0°
N3	C4	C5	C14	178.8°	180.0°
N3	C4	C13	H14	0.0°	90.0°
N3	C4	C13	H15	120.0°	30.0°
N3	C4	C13	H16	120.0°	150.0°
C2	N7	C6	C5	0.3°	0.0°
C2	N7	C6	N16	179.6°	179.9°
C15	C14	C5	C4	99.7°	90.0°
C15	C14	C5	C6	77.7°	90.0°
C15	C14	C5	H9	119.9°	120.0°
C15	C14	C5	H10	119.9°	120.0°
C15	C14	H9	H10	120.4°	120.0°
C14	C15	H11	H12	120.0°	120.0°
C14	C15	H11	H13	120.0°	120.0°
C14	C15	H12	H13	120.0°	120.0°
C13	C4	C5	C6	177.7°	180.0°
C13	C4	C5	C14	0.3°	0.0°
C4	C13	H14	H15	120.0°	120.0°
C4	C13	H14	H16	120.0°	120.1°
C4	C13	H15	H16	120.0°	120.0°
C4	C5	C6	N7	2.2°	0.0°
C4	C5	C6	C14	177.4°	180.0°
C4	C5	C6	N16	178.5°	180.0°
C4	C5	C14	H9	20.2°	150.0°
C4	C5	C14	H10	140.4°	30.0°
C5	C4	C13	H14	179.1°	90.0°
C5	C4	C13	H15	59.0°	150.0°
C5	C4	C13	H16	60.9°	30.1°
N7	C6	C5	N16	179.3°	180.0°
N7	C6	C5	C14	179.6°	180.0°
N7	C6	N16	C17	7.4°	5.6°
N7	C6	N16	H8	172.5°	174.4°
C19	C18	C17	H5	180.0°	179.9°
C18	C19	C20	H4	180.0°	179.9°
C19	C18	C17	N16	176.6°	180.0°
C19	C18	C17	C22	1.5°	0.1°
C18	C19	C20	C23	177.0°	179.9°
C18	C19	C20	C21	1.1°	0.4°
C18	C17	N16	C6	35.1°	147.1°
C17	C18	C19	C20	0.0°	0.1°
C18	C17	N16	C22	178.1°	179.8°
C18	C17	C22	C21	2.2°	0.2°
C17	C18	C19	H4	180.0°	180.0°
C18	C17	C22	H7	177.8°	179.7°
C18	C17	N16	H8	144.9°	32.9°
C5	C6	N16	C17	171.8°	174.4°
C5	C6	N16	H8	8.2°	5.6°
C6	C5	C14	H9	162.4°	30.0°
C6	C5	C14	H10	42.2°	150.0°
C14	C5	C6	N16	1.1°	0.0°
C5	C14	H9	H10	120.3°	120.0°
C5	C14	C15	H11	180.0°	60.0°
C5	C14	C15	H12	60.0°	60.0°
C5	C14	C15	H13	60.0°	180.0°
C6	N16	C17	H8	180.0°	180.0°
C6	N16	C17	C22	143.0°	33.0°
C19	C20	C23	C21	175.9°	179.7°
C19	C20	C23	C24	69.2°	89.7°
C19	C20	C21	C22	0.5°	0.3°
C19	C20	C23	H2	170.7°	150.3°
C19	C20	C23	H3	50.9°	30.3°
C20	C19	C18	H5	180.0°	180.0°
C19	C20	C21	H6	179.5°	179.7°
N16	C17	C22	C21	176.0°	180.0°
N16	C17	C18	H5	3.4°	0.1°
N16	C17	C22	H7	4.0°	0.1°
C17	C22	C21	C20	1.2°	0.0°
C17	C22	C21	H7	180.0°	179.9°
C22	C17	C18	H5	178.5°	179.7°
C17	C22	C21	H6	178.8°	180.0°
C22	C17	N16	H8	37.0°	147.0°
C20	C23	C24	O25	117.6°	0.1°
C20	C23	C24	H2	120.1°	120.0°
C20	C23	C24	H3	120.1°	120.0°
C23	C20	C21	C22	176.5°	180.0°
C20	C23	C24	O26	65.8°	180.0°
C20	C23	H2	H3	119.7°	120.0°
C23	C20	C19	H4	3.0°	0.0°
C23	C20	C21	H6	3.5°	0.0°
C21	C20	C23	C24	114.9°	90.0°
C20	C21	C22	H6	180.0°	180.0°
C21	C20	C23	H2	5.2°	30.0°
C21	C20	C23	H3	125.0°	150.0°
C21	C20	C19	H4	178.9°	179.8°
C20	C21	C22	H7	178.8°	180.0°
O25	C24	C23	O26	176.6°	179.9°
O25	C24	O26	H1	0.0°	0.1°
O25	C24	C23	H2	122.3°	120.0°
O25	C24	C23	H3	2.4°	120.1°
C23	C24	O26	H1	176.4°	180.0°
C24	C23	H2	H3	119.7°	120.0°
O26	C24	C23	H2	54.3°	59.9°
O26	C24	C23	H3	174.2°	60.0°
H4	C19	C18	H5	0.1°	0.1°
H6	C21	C22	H7	1.2°	0.0°
H9	C14	C15	H11	60.1°	180.0°
H9	C14	C15	H12	59.9°	60.0°
H9	C14	C15	H13	179.9°	60.0°
H10	C14	C15	H11	60.1°	60.0°
H10	C14	C15	H12	179.9°	180.0°
H10	C14	C15	H13	59.8°	60.0°
H11	C15	H12	H13	120.0°	120.0°
H14	C13	H15	H16	120.0°	120.0°
H17	C11	C10	H18	0.4°	0.0°

Release date:	2014-01-01
Definition date:	2012-11-12
Last modified:	2013-12-27
Release status:	REL
Processing site:	RCSB
Derived from:	4HUI