T62

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N18	C17	sing	1.39Å	1.36Å
C17	N16	doub	1.32Å	1.35Å	Aromatic
C17	N19	sing	1.33Å	1.36Å	Aromatic
N16	N15	sing	1.40Å	1.39Å	Aromatic
N19	C20	doub	1.32Å	1.35Å	Aromatic
C20	C21	sing	1.47Å	1.39Å	Aromatic
C20	N15	sing	1.37Å	1.33Å	Aromatic
C21	C22	sing	1.39Å	1.40Å	Aromatic
C21	C12	doub	1.41Å	1.40Å	Aromatic
C22	C23	doub	1.37Å	1.40Å	Aromatic
C23	C14	sing	1.39Å	1.40Å	Aromatic
C14	C13	doub	1.37Å	1.39Å	Aromatic
C13	C12	sing	1.40Å	1.40Å	Aromatic
C12	N11	sing	1.36Å	1.36Å	Aromatic
N11	C10	doub	1.30Å	1.36Å	Aromatic
N15	C10	sing	1.36Å	1.34Å	Aromatic
C10	C9	sing	1.51Å	1.51Å
C9	C8	sing	1.51Å	1.51Å
C8	C3	sing	1.38Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.40Å	Aromatic
C3	C2	doub	1.39Å	1.40Å	Aromatic
C7	C5	sing	1.39Å	1.40Å	Aromatic
C5	O6	sing	1.36Å	1.36Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C4	C2	sing	1.39Å	1.41Å	Aromatic
C2	O1	sing	1.36Å	1.36Å
N18	H18A	sing	0.97Å	1.00Å
N18	H18B	sing	0.97Å	1.00Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C9	H91C	sing	1.09Å	1.10Å
C9	H92C	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
O6	H6	sing	0.97Å	0.95Å
C4	H4	sing	1.08Å	1.08Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N18	C17	N16	119.9°	125.4°
N18	C17	N19	122.5°	125.3°
C17	N18	H18A	109.5°	120.0°
C17	N18	H18B	109.4°	120.0°
N16	C17	N19	117.7°	109.3°
C17	N16	N15	97.4°	107.1°
C17	N19	C20	102.6°	109.7°
N16	N15	C20	114.2°	106.0°
N16	N15	C10	124.4°	133.7°
N19	C20	C21	130.2°	134.5°
N19	C20	N15	108.2°	107.8°
C21	C20	N15	121.7°	117.6°
C20	C21	C22	123.3°	122.3°
C20	C21	C12	116.5°	117.8°
C20	N15	C10	121.4°	120.3°
C22	C21	C12	120.2°	120.0°
C21	C22	C23	119.2°	119.5°
C21	C22	H22	120.4°	120.2°
C21	C12	C13	120.1°	119.1°
C21	C12	N11	119.8°	119.3°
C22	C23	C14	120.8°	120.7°
C23	C22	H22	120.4°	120.3°
C22	C23	H23	119.6°	119.7°
C23	C14	C13	119.5°	120.9°
C14	C23	H23	119.6°	119.6°
C23	C14	H14	120.3°	119.5°
C14	C13	C12	120.2°	119.7°
C13	C14	H14	120.2°	119.5°
C14	C13	H13	119.9°	120.1°
C13	C12	N11	120.2°	121.6°
C12	C13	H13	119.9°	120.2°
C12	N11	C10	121.2°	122.0°
N11	C10	N15	119.4°	123.0°
N11	C10	C9	122.2°	118.5°
N15	C10	C9	118.3°	118.5°
C10	C9	C8	122.4°	109.5°
C10	C9	H91C	106.1°	109.5°
C10	C9	H92C	106.2°	109.5°
C9	C8	C3	120.3°	119.9°
C9	C8	C7	118.2°	120.0°
C8	C9	H91C	106.1°	109.4°
C8	C9	H92C	106.1°	109.4°
C3	C8	C7	121.3°	120.1°
C8	C3	C2	118.4°	120.0°
C8	C3	H3	120.8°	120.0°
C8	C7	C5	119.6°	120.1°
C8	C7	H7	120.2°	119.9°
C3	C2	C4	121.0°	120.0°
C3	C2	O1	118.9°	120.0°
C2	C3	H3	120.8°	120.0°
C7	C5	O6	120.8°	120.0°
C7	C5	C4	119.9°	119.9°
C5	C7	H7	120.2°	120.0°
O6	C5	C4	119.3°	120.1°
C5	O6	H6	109.5°	114.0°
C5	C4	C2	119.9°	119.9°
C5	C4	H4	120.1°	120.0°
C4	C2	O1	120.1°	120.0°
C2	C4	H4	120.1°	120.1°
C2	O1	H1	109.5°	114.0°
H18A	N18	H18B	109.4°	120.0°
H91C	C9	H92C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N18	C17	N16	N19	179.9°	179.8°
N18	C17	N16	N15	179.4°	180.0°
N18	C17	N19	C20	179.8°	180.0°
C17	N18	H18A	H18B	120.0°	179.8°
N16	C17	N19	C20	0.3°	0.2°
C17	N16	N15	C20	0.9°	0.1°
C17	N16	N15	C10	179.6°	179.6°
N16	C17	N18	H18A	0.0°	0.1°
N16	C17	N18	H18B	120.0°	179.7°
N19	C17	N16	N15	0.7°	0.2°
C17	N19	C20	C21	179.9°	180.0°
C17	N19	C20	N15	0.3°	0.1°
N19	C17	N18	H18A	179.9°	179.7°
N19	C17	N18	H18B	60.1°	0.5°
N16	N15	C20	N19	0.8°	0.0°
N16	N15	C20	C21	179.4°	179.9°
N16	N15	C20	C10	179.5°	179.8°
N16	N15	C10	N11	178.8°	180.0°
N16	N15	C10	C9	2.7°	0.1°
N19	C20	C21	N15	179.8°	179.8°
N19	C20	C21	C22	0.2°	0.0°
N19	C20	C21	C12	179.7°	180.0°
N19	C20	N15	C10	179.7°	179.8°
C20	C21	C22	C12	179.5°	180.0°
C20	C21	C22	C23	179.8°	180.0°
C20	C21	C12	C13	180.0°	180.0°
C20	C21	C12	N11	0.6°	0.0°
C21	C20	N15	C10	0.1°	0.3°
C20	C21	C22	H22	0.2°	0.1°
N15	C20	C21	C22	179.6°	179.8°
N15	C20	C21	C12	0.1°	0.2°
C20	N15	C10	N11	0.6°	0.3°
C20	N15	C10	C9	176.7°	179.8°
C21	C22	C23	H22	180.0°	179.9°
C21	C22	C23	C14	0.3°	0.0°
C22	C21	C12	C13	0.4°	0.0°
C22	C21	C12	N11	179.9°	180.0°
C21	C22	C23	H23	179.8°	180.0°
C12	C21	C22	C23	0.3°	0.0°
C21	C12	C13	C14	0.0°	0.1°
C21	C12	C13	N11	179.4°	180.0°
C21	C12	N11	C10	1.2°	0.1°
C12	C21	C22	H22	179.7°	179.9°
C21	C12	C13	H13	180.0°	179.9°
C22	C23	C14	H23	180.0°	180.0°
C22	C23	C14	C13	0.7°	0.1°
C22	C23	C14	H14	179.3°	180.0°
C23	C14	C13	H14	180.0°	179.9°
C23	C14	C13	C12	0.6°	0.1°
C14	C23	C22	H22	179.8°	180.0°
C23	C14	C13	H13	179.4°	180.0°
C14	C13	C12	H13	180.0°	179.9°
C14	C13	C12	N11	179.4°	179.9°
C13	C14	C23	H23	179.3°	179.9°
C13	C12	N11	C10	179.4°	180.0°
C12	C13	C14	H14	179.4°	180.0°
C12	N11	C10	N15	1.2°	0.1°
C12	N11	C10	C9	177.1°	180.0°
N11	C12	C13	H13	0.6°	0.0°
N11	C10	N15	C9	176.1°	179.9°
N11	C10	C9	C8	53.0°	0.0°
N11	C10	C9	H91C	174.8°	120.0°
N11	C10	C9	H92C	68.8°	120.0°
N15	C10	C9	C8	131.1°	179.8°
N15	C10	C9	H91C	9.3°	60.2°
N15	C10	C9	H92C	107.2°	59.9°
C10	C9	C8	H91C	121.8°	120.0°
C10	C9	C8	H92C	121.8°	120.0°
C10	C9	C8	C3	46.1°	90.0°
C10	C9	C8	C7	137.8°	90.3°
C10	C9	H91C	H92C	114.2°	120.1°
C9	C8	C3	C7	176.0°	179.7°
C9	C8	C3	C2	177.4°	180.0°
C9	C8	C7	C5	177.4°	180.0°
C8	C9	H91C	H92C	114.1°	119.9°
C9	C8	C3	H3	2.6°	0.0°
C9	C8	C7	H7	2.6°	0.0°
C8	C3	C2	H3	180.0°	180.0°
C3	C8	C7	C5	1.3°	0.3°
C8	C3	C2	C4	1.0°	0.0°
C8	C3	C2	O1	179.4°	180.0°
C3	C8	C9	H91C	75.7°	30.0°
C3	C8	C9	H92C	167.9°	150.0°
C3	C8	C7	H7	178.7°	179.7°
C7	C8	C3	C2	1.4°	0.3°
C8	C7	C5	H7	180.0°	180.0°
C8	C7	C5	O6	178.5°	180.0°
C8	C7	C5	C4	0.7°	0.0°
C7	C8	C9	H91C	100.5°	149.7°
C7	C8	C9	H92C	16.0°	29.8°
C7	C8	C3	H3	178.6°	179.7°
C3	C2	C4	C5	0.4°	0.3°
C3	C2	C4	O1	178.5°	180.0°
C3	C2	C4	H4	179.6°	180.0°
C3	C2	O1	H1	180.0°	90.0°
C7	C5	O6	C4	179.2°	179.9°
C7	C5	C4	C2	0.3°	0.3°
C7	C5	O6	H6	180.0°	90.0°
C7	C5	C4	H4	179.7°	180.0°
O6	C5	C4	C2	178.9°	179.8°
O6	C5	C7	H7	1.5°	0.0°
O6	C5	C4	H4	1.1°	0.1°
C5	C4	C2	H4	180.0°	179.7°
C5	C4	C2	O1	178.9°	179.7°
C4	C5	C7	H7	179.3°	180.0°
C4	C5	O6	H6	0.8°	89.9°
C4	C2	C3	H3	179.0°	180.0°
C4	C2	O1	H1	1.5°	90.0°
O1	C2	C3	H3	0.5°	0.0°
O1	C2	C4	H4	1.1°	0.0°
H22	C22	C23	H23	0.2°	0.0°
H23	C23	C14	H14	0.7°	0.0°
H14	C14	C13	H13	0.6°	0.2°

Release date:	2014-07-08
Definition date:	2014-04-03
Last modified:	2014-07-03
Release status:	REL
Processing site:	EBI
Derived from:	4CWO