6DL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N11	C12	sing	0.00Å	1.34Å
N11	N10	sing	0.00Å	1.40Å
O20	C12	doub	0.00Å	1.22Å
C12	N13	sing	0.00Å	1.35Å
N10	C9	doub	0.00Å	1.30Å
F21	C15	sing	0.00Å	1.34Å
N13	C9	sing	0.00Å	1.40Å
N13	C14	sing	0.00Å	1.42Å
C9	C4	sing	0.00Å	1.47Å
C15	C14	doub	0.00Å	1.41Å	Aromatic
C15	C16	sing	0.00Å	1.39Å	Aromatic
C14	C19	sing	0.00Å	1.40Å	Aromatic
C4	C5	doub	0.00Å	1.40Å	Aromatic
C4	C3	sing	0.00Å	1.41Å	Aromatic
C16	C17	doub	0.00Å	1.39Å	Aromatic
O8	C3	sing	0.00Å	1.35Å
C5	C6	sing	0.00Å	1.38Å	Aromatic
C3	C2	doub	0.00Å	1.39Å	Aromatic
C19	C18	doub	0.00Å	1.39Å	Aromatic
C17	C18	sing	0.00Å	1.39Å	Aromatic
C6	BR	sing	0.00Å	1.88Å
C6	C1	doub	0.00Å	1.38Å	Aromatic
C2	C1	sing	0.00Å	1.39Å	Aromatic
C1	O7	sing	0.00Å	1.35Å
C2	H1	sing	0.00Å	1.08Å
C16	H2	sing	0.00Å	1.08Å
C19	H3	sing	0.00Å	1.08Å
C5	H4	sing	0.00Å	1.08Å
O7	H5	sing	0.00Å	0.95Å
O8	H6	sing	0.00Å	0.95Å
N11	H7	sing	0.00Å	1.00Å
C17	H8	sing	0.00Å	1.08Å
C18	H9	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	N11	N10	109.2°	90.0°
N11	C12	O20	126.3°	90.0°
N11	C12	N13	107.3°	90.0°
C12	N11	H7	125.4°	90.0°
N11	N10	C9	106.9°	90.0°
N10	N11	H7	125.4°	90.0°
O20	C12	N13	126.4°	90.0°
C12	N13	C9	107.4°	90.0°
C12	N13	C14	124.0°	90.0°
N10	C9	N13	109.2°	90.0°
N10	C9	C4	123.0°	90.0°
F21	C15	C14	120.5°	90.0°
F21	C15	C16	118.3°	90.0°
C9	N13	C14	128.5°	90.0°
N13	C9	C4	127.6°	90.0°
N13	C14	C15	120.3°	90.0°
N13	C14	C19	120.2°	90.0°
C9	C4	C5	119.6°	90.0°
C9	C4	C3	120.1°	90.0°
C14	C15	C16	121.2°	90.0°
C15	C14	C19	119.3°	90.0°
C15	C16	C17	118.3°	90.0°
C15	C16	H2	120.8°	90.0°
C14	C19	C18	119.9°	90.0°
C14	C19	H3	120.0°	90.0°
C5	C4	C3	119.9°	90.0°
C4	C5	C6	118.0°	90.0°
C4	C5	H4	121.0°	90.0°
C4	C3	O8	119.7°	90.0°
C4	C3	C2	121.4°	90.0°
C16	C17	C18	121.5°	90.0°
C17	C16	H2	120.8°	90.0°
C16	C17	H8	119.2°	90.0°
O8	C3	C2	118.8°	90.0°
C3	O8	H6	109.5°	90.0°
C5	C6	BR	119.4°	90.0°
C5	C6	C1	121.7°	90.0°
C6	C5	H4	121.0°	90.0°
C3	C2	C1	117.2°	90.0°
C3	C2	H1	121.4°	90.0°
C19	C18	C17	119.8°	90.0°
C18	C19	H3	120.1°	90.0°
C19	C18	H9	120.1°	90.0°
C18	C17	H8	119.3°	90.0°
C17	C18	H9	120.1°	90.0°
BR	C6	C1	118.7°	90.0°
C6	C1	C2	121.5°	90.0°
C6	C1	O7	117.1°	90.0°
C2	C1	O7	121.4°	90.0°
C1	C2	H1	121.4°	90.0°
C1	O7	H5	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	N11	N10	H7	180.0°	90.0°
N11	C12	O20	N13	178.7°	90.0°
C12	N11	N10	C9	1.2°	90.0°
N11	C12	N13	C9	0.5°	90.0°
N11	C12	N13	C14	178.4°	90.0°
N10	N11	C12	O20	178.6°	90.0°
N10	N11	C12	N13	0.4°	90.0°
N11	N10	C9	N13	1.5°	90.0°
N11	N10	C9	C4	177.1°	90.0°
O20	C12	N13	C9	179.4°	90.0°
O20	C12	N13	C14	2.6°	90.0°
O20	C12	N11	H7	1.4°	90.0°
C12	N13	C9	N10	1.3°	90.0°
C12	N13	C9	C14	177.8°	90.0°
C12	N13	C9	C4	176.6°	90.0°
C12	N13	C14	C15	60.9°	90.0°
C12	N13	C14	C19	114.6°	90.0°
N13	C12	N11	H7	179.6°	90.0°
N10	C9	N13	C4	175.4°	90.0°
N10	C9	N13	C14	179.1°	90.0°
N10	C9	C4	C5	125.9°	90.0°
N10	C9	C4	C3	61.0°	90.0°
C9	N10	N11	H7	178.8°	90.0°
F21	C15	C14	N13	2.7°	90.0°
F21	C15	C14	C16	179.2°	90.0°
F21	C15	C14	C19	178.3°	90.0°
F21	C15	C16	C17	179.7°	90.0°
F21	C15	C16	H2	0.3°	90.0°
C9	N13	C14	C15	116.6°	90.0°
C9	N13	C14	C19	67.9°	90.0°
N13	C9	C4	C5	59.4°	90.0°
N13	C9	C4	C3	113.8°	90.0°
C14	N13	C9	C4	5.6°	90.0°
N13	C14	C15	C19	175.6°	90.0°
N13	C14	C15	C16	178.1°	90.0°
N13	C14	C19	C18	178.6°	90.0°
N13	C14	C19	H3	1.4°	90.0°
C9	C4	C5	C3	173.1°	90.0°
C9	C4	C3	O8	6.5°	90.0°
C9	C4	C5	C6	178.4°	90.0°
C9	C4	C3	C2	177.4°	90.0°
C9	C4	C5	H4	1.5°	90.0°
C14	C15	C16	C17	1.1°	90.0°
C15	C14	C19	C18	3.0°	90.0°
C14	C15	C16	H2	178.9°	90.0°
C15	C14	C19	H3	177.0°	90.0°
C16	C15	C14	C19	2.5°	90.0°
C15	C16	C17	H2	180.0°	90.0°
C15	C16	C17	C18	0.1°	90.0°
C15	C16	C17	H8	179.9°	90.0°
C14	C19	C18	H3	180.0°	90.0°
C14	C19	C18	C17	2.1°	90.0°
C14	C19	C18	H9	177.9°	90.0°
C5	C4	C3	O8	179.6°	90.0°
C4	C5	C6	H4	180.0°	90.0°
C5	C4	C3	C2	4.3°	90.0°
C4	C5	C6	BR	171.2°	90.0°
C4	C5	C6	C1	3.9°	90.0°
C4	C3	O8	C2	176.2°	90.0°
C3	C4	C5	C6	5.3°	90.0°
C4	C3	C2	C1	1.6°	90.0°
C4	C3	C2	H1	178.4°	90.0°
C3	C4	C5	H4	174.7°	90.0°
C4	C3	O8	H6	180.0°	90.0°
C16	C17	C18	C19	0.6°	90.0°
C16	C17	C18	H8	180.0°	90.0°
C16	C17	C18	H9	179.4°	90.0°
O8	C3	C2	C1	177.7°	90.0°
O8	C3	C2	H1	2.3°	90.0°
C5	C6	BR	C1	175.3°	90.0°
C5	C6	C1	C2	1.3°	90.0°
C5	C6	C1	O7	176.8°	90.0°
C3	C2	C1	C6	0.1°	90.0°
C3	C2	C1	H1	180.0°	90.0°
C3	C2	C1	O7	177.9°	90.0°
C2	C3	O8	H6	3.8°	90.0°
C19	C18	C17	H9	180.0°	90.0°
C19	C18	C17	H8	179.4°	90.0°
C18	C17	C16	H2	179.8°	90.0°
C17	C18	C19	H3	177.9°	90.0°
BR	C6	C1	C2	173.9°	90.0°
BR	C6	C1	O7	8.0°	90.0°
BR	C6	C5	H4	8.8°	90.0°
C6	C1	C2	O7	178.0°	90.0°
C6	C1	C2	H1	179.9°	90.0°
C1	C6	C5	H4	176.1°	90.0°
C6	C1	O7	H5	180.0°	90.0°
C2	C1	O7	H5	1.9°	90.0°
O7	C1	C2	H1	2.1°	90.0°
H2	C16	C17	H8	0.2°	90.0°
H3	C19	C18	H9	2.1°	90.0°
H8	C17	C18	H9	0.6°	90.0°

Release date:	2017-12-06
Definition date:	2016-03-30
Last modified:	2017-12-01
Release status:	REL
Processing site:	EBI
Derived from:	5J2X