9G3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	N7	doub	1.30Å	1.28Å
C8	N9	sing	1.36Å	1.37Å
N7	C4	sing	1.36Å	1.40Å
C14	N9	sing	1.46Å	1.45Å
C14	C15	sing	1.51Å	1.51Å
N9	C10	sing	1.35Å	1.39Å
C4	C3	doub	1.40Å	1.40Å	Aromatic
C4	C5	sing	1.41Å	1.40Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C16	C15	sing	1.51Å	1.46Å
C16	C17	sing	1.53Å	1.53Å
C15	O18	doub	1.21Å	1.22Å
C23	C17	sing	1.53Å	1.51Å
C23	C22	sing	1.53Å	1.52Å
C10	C5	sing	1.47Å	1.46Å
C10	O11	doub	1.22Å	1.21Å
C5	C6	doub	1.39Å	1.39Å	Aromatic
C17	N19	sing	1.47Å	1.47Å
C2	CL1	sing	1.74Å	1.73Å
C2	C1	doub	1.39Å	1.38Å	Aromatic
C22	C21	sing	1.53Å	1.52Å
C6	C1	sing	1.38Å	1.37Å	Aromatic
C1	F12	sing	1.35Å	1.35Å
N19	C20	sing	1.47Å	1.46Å
C21	C20	sing	1.53Å	1.45Å
C3	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.09Å	1.10Å
C16	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C20	H9	sing	1.09Å	1.10Å
C20	H10	sing	1.09Å	1.10Å
C21	H11	sing	1.09Å	1.10Å
C21	H12	sing	1.09Å	1.10Å
C22	H13	sing	1.09Å	1.10Å
C22	H14	sing	1.09Å	1.10Å
C23	H15	sing	1.09Å	1.10Å
C23	H16	sing	1.09Å	1.10Å
N19	H17	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N7	C8	N9	126.2°	123.4°
C8	N7	C4	116.3°	121.6°
N7	C8	H3	116.9°	118.3°
C8	N9	C14	122.2°	119.7°
C8	N9	C10	121.7°	120.6°
N9	C8	H3	116.9°	118.3°
N7	C4	C3	118.4°	121.6°
N7	C4	C5	122.1°	119.0°
N9	C14	C15	115.0°	109.5°
C14	N9	C10	115.7°	119.7°
N9	C14	H4	108.1°	109.5°
N9	C14	H5	108.1°	109.5°
C14	C15	C16	113.0°	120.0°
C14	C15	O18	124.4°	120.0°
C15	C14	H4	108.0°	109.4°
C15	C14	H5	108.1°	109.5°
N9	C10	C5	114.1°	117.4°
N9	C10	O11	121.2°	121.2°
C3	C4	C5	119.4°	119.4°
C4	C3	C2	119.5°	119.7°
C4	C3	H1	120.2°	120.1°
C4	C5	C10	119.5°	118.0°
C4	C5	C6	120.3°	120.1°
C3	C2	CL1	119.7°	119.6°
C3	C2	C1	120.1°	120.8°
C2	C3	H1	120.2°	120.2°
C15	C16	C17	122.5°	109.5°
C16	C15	O18	122.6°	120.0°
C15	C16	H6	106.1°	109.5°
C15	C16	H7	106.1°	109.4°
C16	C17	C23	113.3°	109.4°
C16	C17	N19	112.7°	109.5°
C17	C16	H6	106.1°	109.5°
C17	C16	H7	106.1°	109.5°
C16	C17	H8	106.9°	109.4°
C17	C23	C22	110.6°	109.3°
C23	C17	N19	108.9°	109.5°
C23	C17	H8	107.1°	109.4°
C17	C23	H15	109.2°	109.5°
C17	C23	H16	109.2°	109.5°
C23	C22	C21	111.7°	109.2°
C23	C22	H13	108.9°	109.5°
C23	C22	H14	108.9°	109.6°
C22	C23	H15	109.2°	109.5°
C22	C23	H16	109.2°	109.5°
C5	C10	O11	124.7°	121.3°
C10	C5	C6	120.2°	121.9°
C5	C6	C1	119.2°	119.5°
C5	C6	H2	120.4°	120.3°
C17	N19	C20	112.5°	111.2°
N19	C17	H8	107.6°	109.5°
C17	N19	H17	108.7°	111.0°
CL1	C2	C1	120.2°	119.6°
C2	C1	C6	121.5°	120.5°
C2	C1	F12	119.1°	119.7°
C22	C21	C20	112.5°	109.3°
C22	C21	H11	108.7°	109.5°
C22	C21	H12	108.7°	109.5°
C21	C22	H13	108.9°	109.5°
C21	C22	H14	108.9°	109.6°
C6	C1	F12	119.3°	119.7°
C1	C6	H2	120.4°	120.2°
N19	C20	C21	110.4°	109.5°
N19	C20	H9	109.2°	109.5°
N19	C20	H10	109.2°	109.5°
C20	N19	H17	108.7°	111.0°
C21	C20	H9	109.3°	109.5°
C21	C20	H10	109.3°	109.4°
C20	C21	H11	108.7°	109.5°
C20	C21	H12	108.7°	109.5°
H4	C14	H5	109.5°	109.4°
H6	C16	H7	109.4°	109.5°
H9	C20	H10	109.5°	109.4°
H11	C21	H12	109.5°	109.5°
H13	C22	H14	109.5°	109.5°
H15	C23	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N7	C8	N9	H3	180.0°	180.0°
N7	C8	N9	C14	169.6°	180.0°
N7	C8	N9	C10	3.1°	0.0°
C8	N7	C4	C3	178.0°	180.0°
C8	N7	C4	C5	1.1°	0.0°
N9	C8	N7	C4	1.1°	0.0°
C8	N9	C14	C10	173.0°	180.0°
C8	N9	C14	C15	101.5°	90.0°
C8	N9	C10	C5	2.5°	0.1°
C8	N9	C10	O11	177.8°	180.0°
C8	N9	C14	H4	19.3°	30.0°
C8	N9	C14	H5	137.7°	150.0°
N7	C4	C3	C5	179.0°	180.0°
N7	C4	C3	C2	179.5°	180.0°
N7	C4	C5	C10	1.3°	0.1°
N7	C4	C5	C6	179.8°	179.8°
N7	C4	C3	H1	0.5°	0.1°
C4	N7	C8	H3	178.9°	180.0°
N9	C14	C15	H4	120.8°	120.0°
N9	C14	C15	H5	120.8°	120.0°
N9	C14	C15	C16	179.3°	180.0°
N9	C14	C15	O18	0.5°	0.0°
C14	N9	C10	C5	170.6°	180.0°
C14	N9	C10	O11	9.1°	0.1°
C14	N9	C8	H3	10.4°	0.0°
N9	C14	H4	H5	117.5°	120.0°
C15	C14	N9	C10	71.5°	90.0°
C14	C15	C16	O18	178.8°	180.0°
C14	C15	C16	C17	177.0°	180.0°
C15	C14	H4	H5	117.5°	120.0°
C14	C15	C16	H6	55.1°	60.0°
C14	C15	C16	H7	61.2°	60.0°
N9	C10	C5	C4	0.4°	0.1°
N9	C10	C5	O11	179.7°	179.9°
N9	C10	C5	C6	178.5°	179.8°
C10	N9	C8	H3	176.9°	179.9°
C10	N9	C14	H4	167.7°	150.0°
C10	N9	C14	H5	49.3°	30.0°
C4	C3	C2	H1	180.0°	179.9°
C3	C4	C5	C10	177.7°	180.0°
C3	C4	C5	C6	1.2°	0.1°
C4	C3	C2	CL1	175.6°	180.0°
C4	C3	C2	C1	1.2°	0.0°
C5	C4	C3	C2	0.4°	0.1°
C4	C5	C10	C6	178.9°	179.9°
C4	C5	C10	O11	179.9°	180.0°
C4	C5	C6	C1	0.3°	0.4°
C5	C4	C3	H1	179.6°	180.0°
C4	C5	C6	H2	179.7°	180.0°
C3	C2	CL1	C1	176.8°	180.0°
C3	C2	C1	C6	2.2°	0.3°
C3	C2	C1	F12	175.9°	180.0°
C15	C16	C17	H6	121.8°	120.0°
C15	C16	C17	H7	121.8°	120.0°
C15	C16	C17	C23	79.3°	175.0°
C15	C16	C17	N19	44.9°	65.0°
C16	C15	C14	H4	58.5°	60.0°
C16	C15	C14	H5	59.9°	60.0°
C15	C16	H6	H7	114.1°	120.0°
C15	C16	C17	H8	162.9°	55.0°
C17	C16	C15	O18	1.9°	0.0°
C16	C17	C23	N19	126.2°	120.0°
C16	C17	C23	H8	117.7°	119.9°
C16	C17	C23	C22	178.7°	179.2°
C16	C17	N19	H8	117.6°	120.0°
C16	C17	N19	C20	172.5°	178.3°
C17	C16	H6	H7	114.1°	120.0°
C16	C17	C23	H15	61.1°	59.2°
C16	C17	C23	H16	58.5°	60.9°
C16	C17	N19	H17	52.0°	54.2°
O18	C15	C14	H4	120.3°	120.0°
O18	C15	C14	H5	121.3°	120.1°
O18	C15	C16	H6	123.7°	120.0°
O18	C15	C16	H7	119.9°	120.0°
C17	C23	C22	H15	120.2°	120.0°
C17	C23	C22	H16	120.2°	120.0°
C23	C17	N19	H8	115.8°	120.0°
C17	C23	C22	C21	50.7°	57.7°
C23	C17	N19	C20	61.0°	61.7°
C23	C17	C16	H6	42.5°	65.0°
C23	C17	C16	H7	158.9°	55.0°
C17	C23	C22	H13	171.0°	62.3°
C17	C23	C22	H14	69.6°	177.6°
C17	C23	H15	H16	119.5°	120.1°
C23	C17	N19	H17	178.6°	174.2°
C22	C23	C17	N19	55.1°	59.2°
C23	C22	C21	H13	120.3°	119.9°
C23	C22	C21	H14	120.4°	120.0°
C23	C22	C21	C20	50.9°	57.6°
C22	C23	C17	H8	61.0°	60.9°
C23	C22	C21	H11	69.6°	177.5°
C23	C22	C21	H12	171.4°	62.3°
C23	C22	H13	H14	119.0°	120.2°
C22	C23	H15	H16	119.5°	120.1°
C10	C5	C6	C1	178.5°	179.7°
C10	C5	C6	H2	1.5°	0.1°
O11	C10	C5	C6	1.3°	0.1°
C5	C6	C1	C2	1.4°	0.5°
C5	C6	C1	H2	180.0°	179.6°
C5	C6	C1	F12	176.7°	179.8°
C17	N19	C20	H17	120.4°	124.1°
C17	N19	C20	C21	61.0°	61.8°
N19	C17	C16	H6	166.7°	55.0°
N19	C17	C16	H7	76.9°	175.0°
C17	N19	C20	H9	59.2°	178.2°
C17	N19	C20	H10	178.9°	58.3°
N19	C17	C23	H15	65.1°	60.8°
N19	C17	C23	H16	175.3°	179.1°
CL1	C2	C1	C6	174.6°	179.7°
CL1	C2	C1	F12	7.3°	0.0°
CL1	C2	C3	H1	4.4°	0.1°
C2	C1	C6	F12	178.1°	179.7°
C1	C2	C3	H1	178.8°	179.9°
C2	C1	C6	H2	178.6°	180.0°
C22	C21	C20	N19	54.6°	59.2°
C22	C21	C20	H11	120.5°	119.9°
C22	C21	C20	H12	120.4°	120.0°
C22	C21	C20	H9	65.5°	179.2°
C22	C21	C20	H10	174.8°	60.9°
C22	C21	H11	H12	118.6°	120.1°
C21	C22	H13	H14	119.0°	120.2°
C21	C22	C23	H15	69.4°	62.3°
C21	C22	C23	H16	170.9°	177.6°
F12	C1	C6	H2	3.3°	0.2°
N19	C20	C21	H9	120.1°	120.0°
N19	C20	C21	H10	120.1°	120.0°
C20	N19	C17	H8	54.9°	58.3°
N19	C20	H9	H10	119.6°	120.0°
N19	C20	C21	H11	65.9°	179.1°
N19	C20	C21	H12	175.1°	60.8°
C21	C20	H9	H10	119.6°	119.9°
C20	C21	H11	H12	118.6°	120.1°
C20	C21	C22	H13	171.2°	62.3°
C20	C21	C22	H14	69.5°	177.7°
C21	C20	N19	H17	178.6°	174.1°
H6	C16	C17	H8	75.3°	175.1°
H7	C16	C17	H8	41.1°	64.9°
H8	C17	C23	H15	178.8°	179.2°
H8	C17	C23	H16	59.1°	59.1°
H8	C17	N19	H17	65.6°	65.8°
H9	C20	C21	H11	174.0°	60.9°
H9	C20	C21	H12	55.0°	59.2°
H9	C20	N19	H17	61.3°	54.1°
H10	C20	C21	H11	54.3°	59.1°
H10	C20	C21	H12	64.8°	179.2°
H10	C20	N19	H17	58.5°	65.9°
H11	C21	C22	H13	50.7°	57.7°
H11	C21	C22	H14	170.1°	62.4°
H12	C21	C22	H13	68.3°	177.8°
H12	C21	C22	H14	51.0°	57.7°
H13	C22	C23	H15	50.9°	177.7°
H13	C22	C23	H16	68.8°	57.7°
H14	C22	C23	H15	170.2°	57.7°
H14	C22	C23	H16	50.5°	62.4°

Release date:	2019-05-29
Definition date:	2018-04-13
Last modified:	2019-05-24
Release status:	REL
Processing site:	PDBJ
Derived from:	5ZNK