G7A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F56	C13	sing	1.40Å	1.32Å
F57	C13	sing	1.40Å	1.33Å
C13	C3	sing	1.53Å	1.53Å
C13	F58	sing	1.40Å	1.32Å
C3	C2	sing	1.54Å	1.53Å
C3	N4	sing	1.47Å	1.47Å
C2	C1	sing	1.53Å	1.54Å
C8	C9	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.40Å	Aromatic
C1	C7	sing	1.51Å	1.49Å
C1	N6	sing	1.47Å	1.47Å
C9	C10	sing	1.38Å	1.39Å	Aromatic
N4	N19	sing	1.39Å	1.40Å	Aromatic
N4	C5	sing	1.35Å	1.31Å	Aromatic
N19	C18	doub	1.30Å	1.36Å	Aromatic
C7	C12	doub	1.38Å	1.40Å	Aromatic
C10	C32	sing	1.51Å	1.51Å
C10	C11	doub	1.38Å	1.40Å	Aromatic
C5	N6	sing	1.38Å	1.37Å
C5	C17	doub	1.39Å	1.39Å	Aromatic
C32	C33	sing	1.53Å	1.51Å
C12	C11	sing	1.38Å	1.39Å	Aromatic
C18	C17	sing	1.42Å	1.40Å	Aromatic
C17	C20	sing	1.47Å	1.49Å
C20	O21	doub	1.22Å	1.24Å
C20	O22	sing	1.35Å	1.25Å
O22	H2	sing	0.97Å	0.95Å
C18	H18	sing	1.08Å	1.08Å
C3	H3	sing	1.09Å	1.10Å
N6	H4	sing	1.01Å	1.00Å
C1	H1	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.09Å	1.10Å
C33	H331	sing	1.09Å	1.10Å
C33	H333	sing	1.09Å	1.10Å
C33	H332	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F56	C13	F57	108.4°	109.5°
F56	C13	C3	108.5°	109.4°
F56	C13	F58	109.0°	109.4°
F57	C13	C3	111.3°	109.5°
F57	C13	F58	109.7°	109.5°
C3	C13	F58	109.8°	109.5°
C13	C3	C2	113.4°	109.8°
C13	C3	N4	113.5°	109.8°
C13	C3	H3	108.1°	109.9°
C2	C3	N4	104.8°	107.8°
C3	C2	C1	113.7°	108.8°
C2	C3	H3	108.0°	109.8°
C3	C2	H22	108.4°	109.6°
C3	C2	H21	108.4°	109.6°
C3	N4	N19	120.7°	127.4°
C3	N4	C5	129.9°	124.0°
N4	C3	H3	108.8°	109.8°
C2	C1	C7	110.0°	109.5°
C2	C1	N6	109.4°	109.7°
C2	C1	H1	108.4°	109.3°
C1	C2	H22	108.4°	109.6°
C1	C2	H21	108.4°	109.5°
C9	C8	C7	121.1°	120.0°
C8	C9	C10	120.8°	120.0°
C8	C9	H9	119.6°	120.0°
C9	C8	H8	119.5°	120.0°
C8	C7	C1	120.3°	120.0°
C8	C7	C12	118.1°	120.0°
C7	C8	H8	119.5°	120.0°
C7	C1	N6	110.6°	109.4°
C1	C7	C12	121.7°	120.0°
C7	C1	H1	109.1°	109.5°
C1	N6	C5	118.7°	110.8°
C1	N6	H4	107.1°	111.1°
N6	C1	H1	109.3°	109.5°
C9	C10	C32	120.7°	120.0°
C9	C10	C11	118.7°	120.0°
C10	C9	H9	119.6°	120.0°
N19	N4	C5	109.3°	108.6°
N4	N19	C18	105.9°	109.2°
N4	C5	N6	120.3°	125.3°
N4	C5	C17	110.4°	107.1°
N19	C18	C17	109.4°	108.2°
N19	C18	H18	125.3°	125.9°
C7	C12	C11	120.8°	120.0°
C7	C12	H12	119.6°	120.0°
C32	C10	C11	120.6°	120.0°
C10	C32	C33	110.7°	109.4°
C10	C32	H321	109.2°	109.5°
C10	C32	H322	109.2°	109.5°
C10	C11	C12	120.5°	120.0°
C10	C11	H11	119.8°	120.0°
N6	C5	C17	129.3°	127.6°
C5	N6	H4	107.1°	111.0°
C5	C17	C18	105.0°	106.9°
C5	C17	C20	124.8°	126.6°
C33	C32	H321	109.1°	109.5°
C33	C32	H322	109.1°	109.4°
C32	C33	H331	109.5°	109.5°
C32	C33	H333	109.5°	109.5°
C32	C33	H332	109.5°	109.4°
C11	C12	H12	119.6°	120.0°
C12	C11	H11	119.7°	120.0°
C18	C17	C20	130.2°	126.5°
C17	C18	H18	125.3°	125.9°
C17	C20	O21	120.3°	119.9°
C17	C20	O22	118.3°	120.0°
O21	C20	O22	121.4°	120.1°
C20	O22	H2	109.5°	117.0°
H22	C2	H21	109.5°	109.7°
H321	C32	H322	109.5°	109.5°
H331	C33	H333	109.5°	109.5°
H331	C33	H332	109.5°	109.5°
H333	C33	H332	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F56	C13	F57	C3	119.3°	120.0°
F56	C13	F57	F58	119.0°	120.0°
F56	C13	C3	F58	119.1°	120.0°
F56	C13	C3	C2	57.6°	60.0°
F56	C13	C3	N4	177.1°	178.3°
F56	C13	C3	H3	62.1°	60.9°
F57	C13	C3	F58	121.7°	120.0°
F57	C13	C3	C2	176.8°	180.0°
F57	C13	C3	N4	63.7°	61.7°
F57	C13	C3	H3	57.1°	59.1°
C13	C3	C2	N4	124.4°	119.6°
C13	C3	C2	H3	119.8°	120.9°
C13	C3	N4	H3	120.4°	120.8°
C13	C3	C2	C1	169.7°	166.0°
C13	C3	N4	N19	38.3°	45.3°
C13	C3	N4	C5	144.9°	135.0°
C13	C3	C2	H22	49.0°	46.2°
C13	C3	C2	H21	69.7°	74.3°
F58	C13	C3	C2	61.5°	60.0°
F58	C13	C3	N4	58.0°	58.4°
F58	C13	C3	H3	178.8°	179.1°
C2	C3	N4	H3	115.3°	119.6°
C3	C2	C1	H22	120.6°	119.8°
C3	C2	C1	H21	120.6°	119.8°
C3	C2	C1	C7	177.0°	172.7°
C3	C2	C1	N6	55.4°	67.2°
C2	C3	N4	N19	162.6°	164.8°
C2	C3	N4	C5	20.6°	15.5°
C3	C2	C1	H1	63.7°	52.8°
C3	C2	H22	H21	118.1°	120.4°
N4	C3	C2	C1	45.3°	46.4°
C3	N4	N19	C5	177.4°	179.7°
C3	N4	N19	C18	178.3°	180.0°
C3	N4	C5	N6	3.4°	0.3°
C3	N4	C5	C17	178.4°	179.9°
N4	C3	C2	H22	75.3°	73.4°
N4	C3	C2	H21	165.9°	166.2°
C2	C1	C7	C8	103.7°	80.6°
C2	C1	C7	N6	120.9°	120.3°
C2	C1	C7	H1	118.8°	119.8°
C2	C1	N6	H1	118.5°	119.9°
C2	C1	C7	C12	76.4°	99.7°
C2	C1	N6	C5	36.6°	50.5°
C1	C2	C3	H3	70.6°	73.1°
C2	C1	N6	H4	84.7°	73.3°
C1	C2	H22	H21	118.1°	120.3°
C9	C8	C7	H8	180.0°	179.4°
C9	C8	C7	C1	179.6°	179.8°
C8	C9	C10	H9	180.0°	179.7°
C9	C8	C7	C12	0.3°	0.5°
C8	C9	C10	C32	180.0°	179.8°
C8	C9	C10	C11	0.4°	0.3°
C8	C7	C1	C12	179.9°	179.7°
C8	C7	C1	N6	135.4°	39.7°
C7	C8	C9	C10	0.5°	0.5°
C8	C7	C12	C11	0.2°	0.3°
C8	C7	C1	H1	15.1°	159.7°
C8	C7	C12	H12	179.8°	179.7°
C7	C8	C9	H9	179.6°	179.7°
C7	C1	N6	H1	120.2°	120.0°
C7	C1	N6	C5	157.9°	170.6°
C1	C7	C12	C11	179.8°	180.0°
C7	C1	N6	H4	36.6°	46.8°
C7	C1	C2	H22	56.4°	67.5°
C7	C1	C2	H21	62.3°	52.9°
C1	C7	C12	H12	0.3°	0.1°
C1	C7	C8	H8	0.4°	0.3°
C1	N6	C5	N4	11.7°	18.1°
N6	C1	C7	C12	44.6°	140.0°
C1	N6	C5	H4	121.3°	123.8°
C1	N6	C5	C17	170.5°	162.4°
N6	C1	C2	H22	65.2°	52.6°
N6	C1	C2	H21	176.0°	173.0°
C9	C10	C32	C11	179.6°	179.9°
C9	C10	C32	C33	121.7°	90.0°
C9	C10	C11	C12	0.3°	0.0°
C9	C10	C11	H11	179.7°	180.0°
C9	C10	C32	H321	118.1°	30.0°
C9	C10	C32	H322	1.5°	150.0°
C10	C9	C8	H8	179.6°	180.0°
N19	N4	C5	N6	179.5°	180.0°
N19	N4	C5	C17	1.3°	0.4°
N4	N19	C18	C17	0.1°	0.0°
N4	N19	C18	H18	179.8°	180.0°
N19	N4	C3	H3	82.1°	75.6°
C5	N4	N19	C18	0.9°	0.2°
N4	C5	N6	C17	177.9°	179.5°
N4	C5	C17	C18	1.2°	0.4°
N4	C5	C17	C20	179.6°	179.9°
C5	N4	C3	H3	94.7°	104.1°
N4	C5	N6	H4	109.7°	105.7°
N19	C18	C17	C5	0.6°	0.2°
N19	C18	C17	H18	180.0°	180.0°
N19	C18	C17	C20	178.9°	180.0°
C7	C12	C11	C10	0.2°	0.0°
C7	C12	C11	H12	180.0°	179.9°
C12	C7	C1	H1	164.8°	20.1°
C7	C12	C11	H11	179.8°	180.0°
C12	C7	C8	H8	179.7°	180.0°
C10	C32	C33	H321	120.2°	120.0°
C10	C32	C33	H322	120.2°	120.0°
C32	C10	C11	C12	179.9°	179.9°
C32	C10	C11	H11	0.1°	0.1°
C10	C32	H321	H322	119.5°	120.1°
C10	C32	C33	H331	180.0°	180.0°
C10	C32	C33	H333	60.0°	60.0°
C10	C32	C33	H332	60.0°	60.0°
C32	C10	C9	H9	0.0°	0.1°
C11	C10	C32	C33	57.9°	90.0°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	H12	179.8°	179.9°
C11	C10	C32	H321	62.3°	149.9°
C11	C10	C32	H322	178.1°	29.9°
C11	C10	C9	H9	179.6°	180.0°
N6	C5	C17	C18	179.2°	180.0°
N6	C5	C17	C20	2.4°	0.3°
C5	N6	C1	H1	81.9°	69.4°
C5	C17	C18	C20	178.3°	179.8°
C5	C17	C20	O21	5.4°	0.3°
C5	C17	C20	O22	172.5°	179.5°
C5	C17	C18	H18	179.4°	179.8°
C17	C5	N6	H4	68.2°	73.8°
C33	C32	H321	H322	119.4°	119.9°
C32	C33	H331	H333	120.0°	120.0°
C32	C33	H331	H332	120.0°	119.9°
C32	C33	H333	H332	120.0°	120.0°
C18	C17	C20	O21	176.6°	180.0°
C18	C17	C20	O22	5.5°	0.3°
C17	C20	O21	O22	177.8°	179.7°
C17	C20	O22	H2	177.9°	179.7°
C20	C17	C18	H18	1.1°	0.0°
O21	C20	O22	H2	0.0°	0.0°
H3	C3	C2	H22	168.8°	167.1°
H3	C3	C2	H21	50.0°	46.6°
H4	N6	C1	H1	156.7°	166.8°
H1	C1	C2	H22	175.7°	172.7°
H1	C1	C2	H21	56.9°	66.9°
H12	C12	C11	H11	0.2°	0.0°
H321	C32	C33	H331	59.8°	59.9°
H321	C32	C33	H333	179.8°	NaN°
H321	C32	C33	H332	60.2°	60.0°
H322	C32	C33	H331	59.8°	60.0°
H322	C32	C33	H333	60.2°	60.0°
H322	C32	C33	H332	179.8°	180.0°
H331	C33	H333	H332	120.0°	120.0°
H9	C9	C8	H8	0.4°	0.3°

Release date:	2016-01-20
Definition date:	2015-09-20
Last modified:	2016-01-15
Release status:	REL
Processing site:	EBI
Derived from:	5DUF