GJG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C8	doub	1.37Å	1.38Å	Aromatic
C10	C4	sing	1.39Å	1.38Å	Aromatic
C8	C1	sing	1.40Å	1.38Å	Aromatic
O7	C2	doub	1.22Å	1.23Å
N6	C4	sing	1.38Å	1.35Å
N6	C11	sing	1.46Å	1.44Å
C4	N3	doub	1.33Å	1.36Å	Aromatic
C1	C2	sing	1.47Å	1.48Å
C1	C5	doub	1.40Å	1.40Å	Aromatic
C2	N9	sing	1.35Å	1.32Å
C13	C11	sing	1.53Å	1.53Å
C13	C14	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.52Å
N3	C5	sing	1.32Å	1.35Å	Aromatic
C12	C15	sing	1.53Å	1.52Å
C14	C16	sing	1.53Å	1.52Å
C16	C15	sing	1.53Å	1.52Å
C5	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
N9	H8	sing	0.97Å	1.00Å
N9	H9	sing	0.97Å	1.00Å
N6	H10	sing	0.97Å	1.00Å
C11	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.09Å	1.10Å
C16	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C10	C4	119.4°	119.4°
C10	C8	C1	119.0°	118.5°
C10	C8	H2	120.5°	120.8°
C8	C10	H3	120.3°	120.3°
C10	C4	N6	116.0°	119.5°
C10	C4	N3	121.4°	120.9°
C4	C10	H3	120.3°	120.3°
C8	C1	C2	117.0°	120.5°
C8	C1	C5	120.4°	119.1°
C1	C8	H2	120.5°	120.8°
O7	C2	C1	116.4°	120.0°
O7	C2	N9	124.6°	120.0°
C4	N6	C11	122.7°	120.0°
N6	C4	N3	122.6°	119.6°
C4	N6	H10	106.1°	119.9°
N6	C11	C13	111.1°	109.5°
N6	C11	C12	106.3°	109.4°
C11	N6	H10	106.1°	120.1°
N6	C11	H11	110.2°	109.5°
C4	N3	C5	120.2°	121.7°
C2	C1	C5	122.6°	120.5°
C1	C2	N9	119.0°	120.0°
C1	C5	N3	119.7°	120.5°
C1	C5	H1	120.2°	119.8°
C2	N9	H8	120.0°	120.0°
C2	N9	H9	120.0°	120.0°
C11	C13	C14	112.0°	109.5°
C13	C11	C12	111.1°	109.5°
C11	C13	H4	108.9°	109.5°
C11	C13	H5	108.8°	109.4°
C13	C11	H11	109.0°	109.5°
C13	C14	C16	112.1°	109.5°
C14	C13	H4	108.8°	109.5°
C14	C13	H5	108.8°	109.5°
C13	C14	H12	108.8°	109.5°
C13	C14	H13	108.8°	109.5°
C11	C12	C15	111.5°	109.4°
C12	C11	H11	109.1°	109.4°
C11	C12	H16	109.0°	109.5°
C11	C12	H17	109.0°	109.5°
N3	C5	H1	120.2°	119.7°
C12	C15	C16	109.8°	109.5°
C12	C15	H6	109.4°	109.4°
C12	C15	H7	109.4°	109.5°
C15	C12	H16	109.0°	109.5°
C15	C12	H17	109.0°	109.5°
C14	C16	C15	110.6°	109.5°
C16	C14	H12	108.8°	109.5°
C16	C14	H13	108.8°	109.5°
C14	C16	H14	109.2°	109.5°
C14	C16	H15	109.2°	109.5°
C16	C15	H6	109.4°	109.5°
C16	C15	H7	109.4°	109.5°
C15	C16	H14	109.2°	109.4°
C15	C16	H15	109.2°	109.5°
H4	C13	H5	109.5°	109.5°
H6	C15	H7	109.5°	109.5°
H8	N9	H9	120.0°	120.0°
H12	C14	H13	109.5°	109.4°
H14	C16	H15	109.5°	109.5°
H16	C12	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C10	C4	H3	180.0°	180.0°
C10	C8	C1	H2	180.0°	179.9°
C8	C10	C4	N6	179.9°	180.0°
C8	C10	C4	N3	0.5°	0.1°
C10	C8	C1	C2	180.0°	180.0°
C10	C8	C1	C5	0.6°	0.0°
C4	C10	C8	C1	0.5°	0.0°
C10	C4	N6	N3	179.4°	179.9°
C10	C4	N6	C11	174.6°	0.1°
C10	C4	N3	C5	0.6°	0.1°
C4	C10	C8	H2	179.5°	180.0°
C10	C4	N6	H10	52.8°	180.0°
C8	C1	C2	O7	18.1°	0.0°
C8	C1	C2	C5	179.4°	180.0°
C8	C1	C2	N9	161.0°	180.0°
C8	C1	C5	N3	0.6°	0.0°
C8	C1	C5	H1	179.3°	180.0°
C1	C8	C10	H3	179.5°	180.0°
O7	C2	C1	N9	179.1°	180.0°
O7	C2	C1	C5	162.5°	180.0°
O7	C2	N9	H8	0.0°	0.0°
O7	C2	N9	H9	180.0°	180.0°
C4	N6	C11	H10	121.8°	179.9°
C4	N6	C11	C13	135.4°	155.0°
C4	N6	C11	C12	103.6°	85.0°
N6	C4	N3	C5	179.9°	180.0°
N6	C4	C10	H3	0.1°	0.1°
C4	N6	C11	H11	14.5°	34.9°
C11	N6	C4	N3	4.8°	180.0°
N6	C11	C13	C12	118.1°	120.0°
N6	C11	C13	H11	121.7°	120.1°
N6	C11	C13	C14	169.8°	180.0°
N6	C11	C12	H11	118.8°	120.0°
N6	C11	C12	C15	176.7°	180.0°
N6	C11	C13	H4	49.4°	60.0°
N6	C11	C13	H5	69.9°	60.0°
N6	C11	C12	H16	63.0°	60.0°
N6	C11	C12	H17	56.4°	60.0°
C4	N3	C5	C1	0.6°	0.0°
C4	N3	C5	H1	179.4°	180.0°
N3	C4	C10	H3	179.5°	180.0°
N3	C4	N6	H10	126.6°	0.1°
C2	C1	C5	N3	180.0°	180.0°
C2	C1	C5	H1	0.1°	0.1°
C2	C1	C8	H2	0.0°	0.1°
C1	C2	N9	H8	179.0°	180.0°
C1	C2	N9	H9	1.0°	0.0°
C5	C1	C2	N9	18.4°	0.0°
C1	C5	N3	H1	180.0°	180.0°
C5	C1	C8	H2	179.4°	179.9°
C2	N9	H8	H9	180.0°	180.0°
C11	C13	C14	H4	120.4°	120.0°
C11	C13	C14	H5	120.4°	120.0°
C13	C11	C12	H11	120.2°	120.0°
C13	C11	C12	C15	55.7°	60.0°
C11	C13	C14	C16	52.0°	60.0°
C11	C13	H4	H5	118.8°	120.0°
C13	C11	N6	H10	102.7°	24.9°
C11	C13	C14	H12	172.4°	180.0°
C11	C13	C14	H13	68.4°	60.0°
C13	C11	C12	H16	176.0°	60.0°
C13	C11	C12	H17	64.6°	180.0°
C14	C13	C11	C12	51.6°	60.0°
C13	C14	C16	H12	120.4°	120.0°
C13	C14	C16	H13	120.4°	120.0°
C13	C14	C16	C15	55.4°	60.0°
C14	C13	H4	H5	118.8°	120.1°
C14	C13	C11	H11	68.6°	60.0°
C13	C14	H12	H13	118.8°	120.0°
C13	C14	C16	H14	64.7°	180.0°
C13	C14	C16	H15	175.6°	60.0°
C11	C12	C15	H16	120.3°	120.0°
C11	C12	C15	H17	120.3°	120.0°
C11	C12	C15	C16	59.2°	60.0°
C12	C11	C13	H4	68.7°	60.0°
C12	C11	C13	H5	172.0°	180.0°
C11	C12	C15	H6	60.8°	180.0°
C11	C12	C15	H7	179.3°	60.0°
C12	C11	N6	H10	18.2°	95.1°
C11	C12	H16	H17	119.1°	120.0°
C12	C15	C16	C14	58.5°	60.0°
C12	C15	C16	H6	120.1°	120.0°
C12	C15	C16	H7	120.1°	120.0°
C12	C15	H6	H7	119.8°	120.0°
C15	C12	C11	H11	64.5°	60.0°
C12	C15	C16	H14	61.6°	180.0°
C12	C15	C16	H15	178.7°	60.0°
C15	C12	H16	H17	119.1°	120.0°
C14	C16	C15	H14	120.1°	120.0°
C14	C16	C15	H15	120.2°	120.0°
C16	C14	C13	H4	68.4°	60.0°
C16	C14	C13	H5	172.4°	180.0°
C14	C16	C15	H6	61.5°	179.9°
C14	C16	C15	H7	178.6°	60.0°
C16	C14	H12	H13	118.8°	119.9°
C14	C16	H14	H15	119.5°	120.0°
C16	C15	H6	H7	119.9°	120.0°
C15	C16	C14	H12	175.8°	180.0°
C15	C16	C14	H13	64.9°	60.0°
C15	C16	H14	H15	119.5°	120.0°
C16	C15	C12	H16	179.5°	60.0°
C16	C15	C12	H17	61.1°	180.0°
H2	C8	C10	H3	0.5°	0.1°
H4	C13	C11	H11	171.1°	179.9°
H4	C13	C14	H12	52.0°	60.1°
H4	C13	C14	H13	171.2°	180.0°
H5	C13	C11	H11	51.8°	60.0°
H5	C13	C14	H12	67.3°	60.0°
H5	C13	C14	H13	52.0°	60.0°
H6	C15	C16	H14	178.3°	60.0°
H6	C15	C16	H15	58.7°	60.0°
H6	C15	C12	H16	59.5°	60.0°
H6	C15	C12	H17	178.9°	60.0°
H7	C15	C16	H14	58.4°	60.0°
H7	C15	C16	H15	61.2°	180.0°
H7	C15	C12	H16	60.4°	180.0°
H7	C15	C12	H17	59.0°	60.0°
H10	N6	C11	H11	136.3°	145.0°
H11	C11	C12	H16	55.8°	180.0°
H11	C11	C12	H17	175.2°	60.0°
H12	C14	C16	H14	55.6°	60.0°
H12	C14	C16	H15	64.0°	60.1°
H13	C14	C16	H14	174.9°	60.0°
H13	C14	C16	H15	55.2°	NaN°

Release date:	2018-10-17
Definition date:	2018-05-23
Last modified:	2018-10-12
Release status:	REL
Processing site:	RCSB
Derived from:	6DI0