FG9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	sing	1.53Å	1.50Å
C10	N3	sing	1.46Å	1.44Å
C11	C12	sing	1.53Å	1.51Å
C12	N4	sing	1.47Å	1.46Å
N3	C9	sing	1.38Å	1.35Å
C15	C16	sing	1.53Å	1.50Å
C15	O	sing	1.43Å	1.41Å
N2	C9	doub	1.33Å	1.34Å	Aromatic
N2	C8	sing	1.31Å	1.32Å	Aromatic
C16	N4	sing	1.47Å	1.48Å
C9	N5	sing	1.32Å	1.32Å	Aromatic
O	C14	sing	1.43Å	1.42Å
C8	C7	doub	1.41Å	1.43Å	Aromatic
N4	C13	sing	1.47Å	1.48Å
C14	C13	sing	1.53Å	1.51Å
N5	C17	doub	1.34Å	1.34Å	Aromatic
C7	C17	sing	1.47Å	1.41Å	Aromatic
C7	C6	sing	1.39Å	1.39Å	Aromatic
C17	C	sing	1.40Å	1.38Å	Aromatic
C6	C5	doub	1.39Å	1.39Å	Aromatic
C	N	sing	1.39Å	1.33Å
C	C1	doub	1.40Å	1.40Å	Aromatic
C5	C1	sing	1.47Å	1.42Å	Aromatic
C5	C4	sing	1.41Å	1.41Å	Aromatic
C1	C2	sing	1.41Å	1.41Å	Aromatic
C4	N1	doub	1.31Å	1.33Å	Aromatic
C2	C3	doub	1.36Å	1.36Å	Aromatic
N1	C3	sing	1.33Å	1.34Å	Aromatic
N	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å
C6	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
N3	H8	sing	0.97Å	1.00Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C16	H16	sing	1.09Å	1.10Å
C16	H17	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C15	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
C14	H21	sing	1.09Å	1.10Å
C13	H22	sing	1.09Å	1.10Å
C13	H23	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	N3	106.3°	109.4°
C10	C11	C12	112.5°	109.4°
C11	C10	H9	110.3°	109.5°
C11	C10	H10	110.3°	109.4°
C10	C11	H11	108.7°	109.5°
C10	C11	H12	108.7°	109.5°
C10	N3	C9	132.2°	120.0°
C10	N3	H8	103.5°	120.0°
N3	C10	H9	110.2°	109.5°
N3	C10	H10	110.2°	109.5°
C11	C12	N4	112.4°	109.5°
C12	C11	H11	108.7°	109.5°
C12	C11	H12	108.7°	109.4°
C11	C12	H13	108.7°	109.5°
C11	C12	H14	108.7°	109.5°
C12	N4	C16	111.8°	111.0°
C12	N4	C13	112.7°	111.0°
N4	C12	H13	108.7°	109.5°
N4	C12	H14	108.8°	109.4°
N3	C9	N2	120.0°	118.3°
N3	C9	N5	113.6°	118.3°
C9	N3	H8	103.6°	120.0°
C16	C15	O	111.1°	109.3°
C15	C16	N4	110.6°	109.2°
C15	C16	H16	109.2°	109.5°
C15	C16	H17	109.2°	109.6°
C16	C15	H18	109.1°	109.6°
C16	C15	H19	109.1°	109.5°
C15	O	C14	107.5°	113.7°
O	C15	H18	109.1°	109.5°
O	C15	H19	109.0°	109.4°
C9	N2	C8	115.8°	122.3°
N2	C9	N5	126.4°	123.4°
N2	C8	C7	124.9°	118.3°
N2	C8	H7	117.6°	120.9°
C16	N4	C13	111.6°	110.8°
N4	C16	H16	109.2°	109.5°
N4	C16	H17	109.2°	109.5°
C9	N5	C17	117.0°	120.1°
O	C14	C13	111.7°	109.3°
O	C14	H20	108.9°	109.5°
O	C14	H21	108.9°	109.5°
C8	C7	C17	112.1°	117.8°
C8	C7	C6	130.4°	121.7°
C7	C8	H7	117.5°	120.8°
N4	C13	C14	111.3°	109.2°
N4	C13	H22	109.0°	109.5°
N4	C13	H23	109.0°	109.5°
C13	C14	H20	108.9°	109.5°
C13	C14	H21	108.9°	109.5°
C14	C13	H22	109.0°	109.5°
C14	C13	H23	109.0°	109.5°
N5	C17	C7	123.8°	118.2°
N5	C17	C	114.3°	121.7°
C17	C7	C6	117.5°	120.5°
C7	C17	C	121.9°	120.2°
C7	C6	C5	121.8°	119.5°
C7	C6	H3	119.1°	120.3°
C17	C	N	119.7°	120.4°
C17	C	C1	120.0°	119.2°
C6	C5	C1	119.4°	120.2°
C6	C5	C4	123.6°	121.8°
C5	C6	H3	119.1°	120.3°
N	C	C1	120.4°	120.4°
C	N	H1	109.5°	120.0°
C	N	H2	109.5°	120.0°
C	C1	C5	119.4°	120.4°
C	C1	C2	123.1°	121.9°
C1	C5	C4	117.0°	118.0°
C5	C1	C2	117.5°	117.7°
C5	C4	N1	124.3°	119.7°
C5	C4	H4	117.9°	120.2°
C1	C2	C3	119.5°	118.5°
C1	C2	H6	120.2°	120.7°
C4	N1	C3	117.5°	123.5°
N1	C4	H4	117.8°	120.1°
C2	C3	N1	124.1°	122.7°
C2	C3	H5	118.0°	118.7°
C3	C2	H6	120.3°	120.7°
N1	C3	H5	117.9°	118.7°
H1	N	H2	109.4°	120.0°
H9	C10	H10	109.5°	109.5°
H11	C11	H12	109.5°	109.5°
H13	C12	H14	109.4°	109.5°
H16	C16	H17	109.5°	109.5°
H18	C15	H19	109.5°	109.5°
H20	C14	H21	109.5°	109.6°
H22	C13	H23	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	N3	H9	119.5°	120.0°
C11	C10	N3	H10	119.5°	120.0°
C10	C11	C12	H11	120.5°	120.0°
C10	C11	C12	H12	120.4°	120.0°
C10	C11	C12	N4	129.3°	180.0°
C11	C10	N3	C9	152.8°	179.9°
C11	C10	N3	H8	29.9°	0.0°
C11	C10	H9	H10	121.5°	120.0°
C10	C11	H11	H12	118.6°	120.0°
C10	C11	C12	H13	110.2°	60.0°
C10	C11	C12	H14	8.9°	60.0°
N3	C10	C11	C12	21.7°	180.0°
C10	N3	C9	H8	122.9°	179.9°
C10	N3	C9	N2	2.9°	0.1°
C10	N3	C9	N5	176.0°	180.0°
N3	C10	H9	H10	121.4°	120.0°
N3	C10	C11	H11	98.7°	60.0°
N3	C10	C11	H12	142.1°	60.1°
C11	C12	N4	H13	120.5°	120.0°
C11	C12	N4	H14	120.4°	120.0°
C11	C12	N4	C16	66.6°	66.4°
C11	C12	N4	C13	166.8°	170.0°
C12	C11	C10	H9	97.8°	60.0°
C12	C11	C10	H10	141.2°	60.0°
C12	C11	H11	H12	118.6°	120.0°
C11	C12	H13	H14	118.6°	120.1°
C12	N4	C16	C15	78.2°	177.6°
C12	N4	C16	C13	127.2°	123.7°
C12	N4	C13	C14	79.6°	177.6°
N4	C12	C11	H11	8.9°	60.0°
N4	C12	C11	H12	110.2°	60.0°
N4	C12	H13	H14	118.7°	120.0°
C12	N4	C16	H16	42.0°	57.7°
C12	N4	C16	H17	161.7°	62.4°
C12	N4	C13	H22	40.7°	62.5°
C12	N4	C13	H23	160.2°	57.7°
N3	C9	N2	N5	178.8°	179.9°
N3	C9	N2	C8	178.8°	180.0°
N3	C9	N5	C17	178.9°	180.0°
C9	N3	C10	H9	87.7°	60.0°
C9	N3	C10	H10	33.3°	60.1°
C16	C15	O	H18	120.2°	120.0°
C16	C15	O	H19	120.2°	119.9°
C15	C16	N4	H16	120.2°	119.9°
C15	C16	N4	H17	120.2°	120.0°
C16	C15	O	C14	65.3°	58.7°
C15	C16	N4	C13	49.1°	58.7°
C15	C16	H16	H17	119.5°	120.2°
C16	C15	H18	H19	119.3°	120.1°
O	C15	C16	N4	59.1°	56.9°
C15	O	C14	C13	63.2°	58.7°
O	C15	C16	H16	179.3°	176.8°
O	C15	C16	H17	61.1°	63.0°
O	C15	H18	H19	119.2°	120.0°
C15	O	C14	H20	176.5°	61.3°
C15	O	C14	H21	57.2°	178.6°
C9	N2	C8	C7	0.3°	0.1°
N2	C9	N5	C17	0.1°	0.1°
C9	N2	C8	H7	179.7°	179.9°
N2	C9	N3	H8	125.8°	179.9°
C8	N2	C9	N5	0.0°	0.1°
N2	C8	C7	H7	180.0°	180.0°
N2	C8	C7	C17	0.5°	0.1°
N2	C8	C7	C6	179.4°	180.0°
C16	N4	C13	C14	47.2°	58.7°
C16	N4	C12	H13	53.8°	53.6°
C16	N4	C12	H14	172.9°	173.6°
N4	C16	H16	H17	119.5°	120.1°
N4	C16	C15	H18	179.3°	63.1°
N4	C16	C15	H19	61.1°	176.8°
C16	N4	C13	H22	167.5°	61.3°
C16	N4	C13	H23	73.0°	178.6°
C9	N5	C17	C7	0.4°	0.0°
C9	N5	C17	C	178.0°	180.0°
N5	C9	N3	H8	53.1°	0.0°
O	C14	C13	N4	55.0°	56.8°
O	C14	C13	H20	120.4°	119.9°
O	C14	C13	H21	120.3°	119.9°
C14	O	C15	H18	174.5°	61.3°
C14	O	C15	H19	54.9°	178.6°
O	C14	H20	H21	119.0°	120.1°
O	C14	C13	H22	175.2°	63.1°
O	C14	C13	H23	65.3°	176.8°
C8	C7	C17	N5	0.6°	0.0°
C8	C7	C17	C6	179.9°	179.9°
C8	C7	C17	C	177.7°	180.0°
C8	C7	C6	C5	177.5°	180.0°
C8	C7	C6	H3	2.5°	0.0°
N4	C13	C14	H22	120.3°	119.9°
N4	C13	C14	H23	120.3°	120.0°
C13	N4	C12	H13	72.8°	70.0°
C13	N4	C12	H14	46.3°	50.0°
C13	N4	C16	H16	169.2°	178.6°
C13	N4	C16	H17	71.1°	61.3°
N4	C13	C14	H20	175.3°	63.1°
N4	C13	C14	H21	65.3°	176.8°
N4	C13	H22	H23	119.2°	120.1°
C13	C14	H20	H21	119.0°	120.1°
C14	C13	H22	H23	119.2°	120.1°
N5	C17	C7	C	178.3°	180.0°
N5	C17	C7	C6	179.4°	180.0°
N5	C17	C	N	0.8°	0.0°
N5	C17	C	C1	178.3°	179.7°
C17	C7	C6	C5	2.6°	0.0°
C7	C17	C	N	179.2°	180.0°
C7	C17	C	C1	0.2°	0.3°
C17	C7	C6	H3	177.4°	179.9°
C17	C7	C8	H7	179.5°	180.0°
C6	C7	C17	C	2.3°	0.1°
C7	C6	C5	H3	180.0°	180.0°
C7	C6	C5	C1	0.3°	0.3°
C7	C6	C5	C4	179.3°	180.0°
C6	C7	C8	H7	0.6°	0.0°
C17	C	N	C1	179.1°	179.7°
C17	C	C1	C5	2.5°	0.5°
C17	C	C1	C2	179.8°	179.7°
C17	C	N	H1	180.0°	179.7°
C17	C	N	H2	60.0°	0.0°
C6	C5	C1	C	2.3°	0.5°
C6	C5	C1	C4	179.0°	179.7°
C6	C5	C1	C2	179.7°	179.7°
C6	C5	C4	N1	178.8°	180.0°
C6	C5	C4	H4	1.2°	0.0°
N	C	C1	C5	178.5°	179.7°
N	C	C1	C2	1.1°	0.6°
C	N	H1	H2	120.0°	179.7°
C	C1	C5	C2	177.5°	179.2°
C	C1	C5	C4	176.8°	179.7°
C	C1	C2	C3	176.5°	179.8°
C1	C	N	H1	0.9°	0.0°
C1	C	N	H2	120.9°	179.7°
C	C1	C2	H6	3.5°	0.6°
C1	C5	C4	N1	0.2°	0.3°
C5	C1	C2	C3	0.9°	0.6°
C1	C5	C6	H3	179.7°	179.7°
C1	C5	C4	H4	179.8°	179.8°
C5	C1	C2	H6	179.1°	179.7°
C4	C5	C1	C2	0.7°	0.5°
C5	C4	N1	H4	180.0°	180.0°
C5	C4	N1	C3	1.0°	0.0°
C4	C5	C6	H3	0.7°	0.0°
C1	C2	C3	H6	180.0°	179.7°
C1	C2	C3	N1	0.1°	0.4°
C1	C2	C3	H5	179.9°	179.7°
C4	N1	C3	C2	0.8°	0.1°
C4	N1	C3	H5	179.2°	180.0°
C2	C3	N1	H5	180.0°	179.9°
C3	N1	C4	H4	179.1°	180.0°
N1	C3	C2	H6	179.9°	180.0°
H5	C3	C2	H6	0.1°	0.0°
H8	N3	C10	H9	149.4°	120.0°
H8	N3	C10	H10	89.6°	120.0°
H9	C10	C11	H11	141.8°	180.0°
H9	C10	C11	H12	22.6°	59.9°
H10	C10	C11	H11	20.8°	60.0°
H10	C10	C11	H12	98.4°	180.0°
H11	C11	C12	H13	129.3°	180.0°
H11	C11	C12	H14	111.6°	60.0°
H12	C11	C12	H13	10.2°	60.0°
H12	C11	C12	H14	129.3°	180.0°
H16	C16	C15	H18	60.5°	56.8°
H16	C16	C15	H19	59.0°	63.4°
H17	C16	C15	H18	59.1°	177.0°
H17	C16	C15	H19	178.7°	56.8°
H20	C14	C13	H22	64.4°	177.0°
H20	C14	C13	H23	55.1°	56.9°
H21	C14	C13	H22	54.9°	56.9°
H21	C14	C13	H23	174.4°	63.3°

Release date:	2019-02-20
Definition date:	2018-12-15
Last modified:	2019-02-15
Release status:	REL
Processing site:	EBI
Derived from:	6Q8K