7H1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	doub	0.00Å	1.40Å	Aromatic
C11	C12	sing	0.00Å	1.39Å	Aromatic
C10	C9	sing	0.00Å	1.39Å	Aromatic
C12	C13	doub	0.00Å	1.40Å	Aromatic
C9	C8	doub	0.00Å	1.40Å	Aromatic
C13	C8	sing	0.00Å	1.41Å	Aromatic
C8	N1	sing	0.00Å	1.37Å
N1	C7	sing	0.00Å	1.34Å
C7	O2	doub	0.00Å	1.21Å
C7	C6	sing	0.00Å	1.51Å
F10	C6	sing	0.00Å	1.33Å
C6	F11	sing	0.00Å	1.32Å
C6	C5	sing	0.00Å	1.50Å
F9	C5	sing	0.00Å	1.31Å
C5	F8	sing	0.00Å	1.33Å
C5	C4	sing	0.00Å	1.52Å
F6	C4	sing	0.00Å	1.32Å
C4	F7	sing	0.00Å	1.30Å
C4	C3	sing	0.00Å	1.49Å
F5	C3	sing	0.00Å	1.31Å
C3	F4	sing	0.00Å	1.33Å
C3	C2	sing	0.00Å	1.49Å
C2	F3	sing	0.00Å	1.29Å
C2	F2	sing	0.00Å	1.29Å
C2	C1	sing	0.00Å	1.55Å
F1	C1	sing	0.00Å	1.33Å
C1	F	sing	0.00Å	1.33Å
C1	C	sing	0.00Å	1.53Å
C	O1	doub	0.00Å	1.22Å
C	N	sing	0.00Å	1.31Å
N	O	sing	0.00Å	1.38Å
N	H1	sing	0.00Å	1.00Å
O	H2	sing	0.00Å	0.95Å
N1	H3	sing	0.00Å	1.00Å
C9	H4	sing	0.00Å	1.08Å
C10	H5	sing	0.00Å	1.08Å
C11	H6	sing	0.00Å	1.08Å
C12	H7	sing	0.00Å	1.08Å
C13	H8	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	119.7°	90.0°
C11	C10	C9	119.6°	90.0°
C11	C10	H5	120.2°	90.0°
C10	C11	H6	120.1°	90.0°
C11	C12	C13	120.6°	90.0°
C12	C11	H6	120.2°	90.0°
C11	C12	H7	119.7°	90.0°
C10	C9	C8	121.6°	90.0°
C10	C9	H4	119.2°	90.0°
C9	C10	H5	120.2°	90.0°
C12	C13	C8	120.5°	90.0°
C13	C12	H7	119.7°	90.0°
C12	C13	H8	119.7°	90.0°
C9	C8	C13	118.1°	90.0°
C9	C8	N1	116.4°	90.0°
C8	C9	H4	119.2°	90.0°
C13	C8	N1	125.5°	90.0°
C8	C13	H8	119.8°	90.0°
C8	N1	C7	125.8°	90.0°
C8	N1	H3	117.1°	90.0°
N1	C7	O2	123.8°	90.0°
N1	C7	C6	120.1°	90.0°
C7	N1	H3	117.1°	90.0°
O2	C7	C6	116.0°	90.0°
C7	C6	F10	109.8°	90.0°
C7	C6	F11	109.0°	90.0°
C7	C6	C5	111.4°	90.0°
F10	C6	F11	115.4°	90.0°
F10	C6	C5	108.2°	90.0°
F11	C6	C5	102.9°	90.0°
C6	C5	F9	104.9°	90.0°
C6	C5	F8	108.8°	90.0°
C6	C5	C4	114.1°	90.0°
F9	C5	F8	112.7°	90.0°
F9	C5	C4	108.9°	90.0°
F8	C5	C4	107.6°	90.0°
C5	C4	F6	111.5°	90.0°
C5	C4	F7	106.7°	90.0°
C5	C4	C3	110.8°	90.0°
F6	C4	F7	113.5°	90.0°
F6	C4	C3	111.2°	90.0°
F7	C4	C3	102.9°	90.0°
C4	C3	F5	105.8°	90.0°
C4	C3	F4	106.4°	90.0°
C4	C3	C2	110.7°	90.0°
F5	C3	F4	113.4°	90.0°
F5	C3	C2	106.2°	90.0°
F4	C3	C2	114.0°	90.0°
C3	C2	F3	112.8°	90.0°
C3	C2	F2	118.3°	90.0°
C3	C2	C1	103.0°	90.0°
F3	C2	F2	121.3°	90.0°
F3	C2	C1	96.9°	90.0°
F2	C2	C1	97.8°	90.0°
C2	C1	F1	109.2°	90.0°
C2	C1	F	106.5°	90.0°
C2	C1	C	116.5°	90.0°
F1	C1	F	111.7°	90.0°
F1	C1	C	105.5°	90.0°
F	C1	C	107.6°	90.0°
C1	C	O1	123.5°	90.0°
C1	C	N	120.6°	90.0°
O1	C	N	115.9°	90.0°
C	N	O	115.3°	90.0°
C	N	H1	122.4°	90.0°
O	N	H1	122.3°	90.0°
N	O	H2	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H6	180.0°	90.0°
C11	C10	C9	H5	180.0°	90.0°
C10	C11	C12	C13	0.9°	90.0°
C11	C10	C9	C8	0.5°	90.0°
C11	C10	C9	H4	179.4°	90.0°
C10	C11	C12	H7	179.1°	90.0°
C12	C11	C10	C9	0.3°	90.0°
C11	C12	C13	H7	180.0°	90.0°
C11	C12	C13	C8	0.7°	90.0°
C12	C11	C10	H5	179.7°	90.0°
C11	C12	C13	H8	179.3°	90.0°
C10	C9	C8	H4	180.0°	90.0°
C10	C9	C8	C13	0.8°	90.0°
C10	C9	C8	N1	179.5°	90.0°
C9	C10	C11	H6	179.7°	90.0°
C12	C13	C8	C9	0.2°	90.0°
C12	C13	C8	H8	180.0°	90.0°
C12	C13	C8	N1	178.7°	90.0°
C13	C12	C11	H6	179.1°	90.0°
C9	C8	C13	N1	178.5°	90.0°
C9	C8	N1	C7	172.0°	90.0°
C9	C8	N1	H3	8.0°	90.0°
C8	C9	C10	H5	179.4°	90.0°
C9	C8	C13	H8	179.8°	90.0°
C13	C8	N1	C7	6.6°	90.0°
C13	C8	N1	H3	173.4°	90.0°
C13	C8	C9	H4	179.2°	90.0°
C8	C13	C12	H7	179.3°	90.0°
C8	N1	C7	H3	180.0°	90.0°
C8	N1	C7	O2	5.5°	90.0°
C8	N1	C7	C6	171.3°	90.0°
N1	C8	C9	H4	0.5°	90.0°
N1	C8	C13	H8	1.3°	90.0°
N1	C7	O2	C6	177.0°	90.0°
N1	C7	C6	F10	73.2°	90.0°
N1	C7	C6	F11	54.1°	90.0°
N1	C7	C6	C5	167.0°	90.0°
O2	C7	C6	F10	109.7°	90.0°
O2	C7	C6	F11	123.0°	90.0°
O2	C7	C6	C5	10.1°	90.0°
O2	C7	N1	H3	174.4°	90.0°
C7	C6	F10	F11	123.6°	90.0°
C7	C6	F10	C5	121.8°	90.0°
C7	C6	F11	C5	118.4°	90.0°
C7	C6	C5	F9	62.9°	90.0°
C7	C6	C5	F8	57.8°	90.0°
C7	C6	C5	C4	178.0°	90.0°
C6	C7	N1	H3	8.7°	90.0°
F10	C6	F11	C5	117.6°	90.0°
F10	C6	C5	F9	57.8°	90.0°
F10	C6	C5	F8	178.6°	90.0°
F10	C6	C5	C4	61.2°	90.0°
F11	C6	C5	F9	179.6°	90.0°
F11	C6	C5	F8	58.8°	90.0°
F11	C6	C5	C4	61.3°	90.0°
C6	C5	F9	F8	118.2°	90.0°
C6	C5	F9	C4	122.5°	90.0°
C6	C5	F8	C4	124.1°	90.0°
C6	C5	C4	F6	43.5°	90.0°
C6	C5	C4	F7	80.8°	90.0°
C6	C5	C4	C3	167.9°	90.0°
F9	C5	F8	C4	120.1°	90.0°
F9	C5	C4	F6	73.2°	90.0°
F9	C5	C4	F7	162.4°	90.0°
F9	C5	C4	C3	51.2°	90.0°
F8	C5	C4	F6	164.4°	90.0°
F8	C5	C4	F7	40.0°	90.0°
F8	C5	C4	C3	71.3°	90.0°
C5	C4	F6	F7	120.5°	90.0°
C5	C4	F6	C3	124.1°	90.0°
C5	C4	F7	C3	116.6°	90.0°
C5	C4	C3	F5	55.9°	90.0°
C5	C4	C3	F4	65.0°	90.0°
C5	C4	C3	C2	170.5°	90.0°
F6	C4	F7	C3	120.2°	90.0°
F6	C4	C3	F5	68.7°	90.0°
F6	C4	C3	F4	170.4°	90.0°
F6	C4	C3	C2	46.0°	90.0°
F7	C4	C3	F5	169.6°	90.0°
F7	C4	C3	F4	48.6°	90.0°
F7	C4	C3	C2	75.8°	90.0°
C4	C3	F5	F4	116.3°	90.0°
C4	C3	F5	C2	117.7°	90.0°
C4	C3	F4	C2	122.4°	90.0°
C4	C3	C2	F3	98.9°	90.0°
C4	C3	C2	F2	51.3°	90.0°
C4	C3	C2	C1	157.8°	90.0°
F5	C3	F4	C2	121.7°	90.0°
F5	C3	C2	F3	15.5°	90.0°
F5	C3	C2	F2	165.7°	90.0°
F5	C3	C2	C1	87.8°	90.0°
F4	C3	C2	F3	141.2°	90.0°
F4	C3	C2	F2	68.6°	90.0°
F4	C3	C2	C1	37.8°	90.0°
C3	C2	F3	F2	149.2°	90.0°
C3	C2	F3	C1	107.3°	90.0°
C3	C2	F2	C1	109.4°	90.0°
C3	C2	C1	F1	53.3°	90.0°
C3	C2	C1	F	67.4°	90.0°
C3	C2	C1	C	172.6°	90.0°
F3	C2	F2	C1	103.0°	90.0°
F3	C2	C1	F1	62.1°	90.0°
F3	C2	C1	F	177.2°	90.0°
F3	C2	C1	C	57.2°	90.0°
F2	C2	C1	F1	174.9°	90.0°
F2	C2	C1	F	54.2°	90.0°
F2	C2	C1	C	65.8°	90.0°
C2	C1	F1	F	117.5°	90.0°
C2	C1	F1	C	125.9°	90.0°
C2	C1	F	C	125.6°	90.0°
C2	C1	C	O1	50.4°	90.0°
C2	C1	C	N	128.2°	90.0°
F1	C1	F	C	115.3°	90.0°
F1	C1	C	O1	70.9°	90.0°
F1	C1	C	N	110.4°	90.0°
F	C1	C	O1	169.8°	90.0°
F	C1	C	N	8.9°	90.0°
C1	C	O1	N	178.7°	90.0°
C1	C	N	O	168.4°	90.0°
C1	C	N	H1	11.6°	90.0°
O1	C	N	O	10.4°	90.0°
O1	C	N	H1	169.6°	90.0°
C	N	O	H1	180.0°	90.0°
C	N	O	H2	5.3°	90.0°
H1	N	O	H2	174.7°	90.0°
H4	C9	C10	H5	0.6°	90.0°
H5	C10	C11	H6	0.3°	90.0°
H6	C11	C12	H7	0.9°	90.0°
H7	C12	C13	H8	0.7°	90.0°

Release date:	2016-11-30
Definition date:	2016-03-24
Last modified:	2016-11-25
Release status:	REL
Processing site:	EBI
Derived from:	5G11