4G4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	doub	1.38Å	1.43Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.40Å	Aromatic
C5	C4	doub	1.39Å	1.41Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C4	C9	sing	1.39Å	1.44Å	Aromatic
C4	N2	sing	1.40Å	1.45Å
C9	C10	sing	1.51Å	1.54Å
N2	C3	sing	1.47Å	1.47Å
N2	C1	sing	1.47Å	1.42Å
C10	N11	sing	1.47Å	1.46Å
N11	C12	sing	1.38Å	1.43Å
C13	C12	doub	1.39Å	1.41Å	Aromatic
C13	C14	sing	1.37Å	1.40Å	Aromatic
C12	N17	sing	1.33Å	1.34Å	Aromatic
C14	C15	doub	1.40Å	1.40Å	Aromatic
N17	C16	doub	1.32Å	1.33Å	Aromatic
C15	C16	sing	1.40Å	1.39Å	Aromatic
C15	C18	sing	1.48Å	1.49Å
C18	O20	doub	1.22Å	1.22Å
C18	N19	sing	1.35Å	1.43Å
C7	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
N19	H16	sing	0.97Å	1.00Å
N19	H17	sing	0.97Å	1.00Å
N11	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	C5	120.1°	120.1°
C6	C7	C8	122.0°	120.1°
C6	C7	H1	119.0°	119.9°
C7	C6	H2	120.0°	120.0°
C6	C5	C4	118.4°	120.0°
C5	C6	H2	119.9°	119.9°
C6	C5	H5	120.8°	120.1°
C7	C8	C9	118.0°	120.1°
C8	C7	H1	119.0°	119.9°
C7	C8	H4	121.0°	120.0°
C5	C4	C9	120.5°	119.8°
C5	C4	N2	115.9°	120.1°
C4	C5	H5	120.8°	120.0°
C8	C9	C4	121.1°	120.0°
C8	C9	C10	119.3°	120.1°
C9	C8	H4	121.0°	119.9°
C9	C4	N2	123.6°	120.1°
C4	C9	C10	119.5°	120.0°
C4	N2	C3	125.0°	111.0°
C4	N2	C1	116.0°	111.0°
C9	C10	N11	109.6°	109.5°
C9	C10	H14	109.5°	109.5°
C9	C10	H15	109.4°	109.5°
C3	N2	C1	119.0°	111.0°
N2	C3	H11	109.5°	109.4°
N2	C3	H12	109.4°	109.5°
N2	C3	H13	109.5°	109.5°
N2	C1	H8	109.5°	109.5°
N2	C1	H9	109.5°	109.5°
N2	C1	H10	109.5°	109.4°
C10	N11	C12	121.5°	120.0°
N11	C10	H14	109.4°	109.4°
N11	C10	H15	109.4°	109.5°
C10	N11	H18	106.4°	120.0°
N11	C12	C13	122.6°	119.5°
N11	C12	N17	115.4°	119.5°
C12	N11	H18	106.4°	120.0°
C12	C13	C14	119.6°	119.4°
C13	C12	N17	122.0°	120.9°
C12	C13	H6	120.2°	120.3°
C13	C14	C15	115.7°	118.5°
C13	C14	H3	122.2°	120.7°
C14	C13	H6	120.2°	120.3°
C12	N17	C16	119.7°	121.6°
C14	C15	C16	122.1°	119.0°
C14	C15	C18	119.6°	120.4°
C15	C14	H3	122.1°	120.8°
N17	C16	C15	120.9°	120.6°
N17	C16	H7	119.6°	119.7°
C16	C15	C18	118.3°	120.5°
C15	C16	H7	119.5°	119.7°
C15	C18	O20	120.5°	120.0°
C15	C18	N19	117.5°	120.0°
O20	C18	N19	122.0°	120.0°
C18	N19	H16	120.0°	120.0°
C18	N19	H17	120.0°	120.0°
H8	C1	H9	109.4°	109.5°
H8	C1	H10	109.5°	109.4°
H9	C1	H10	109.4°	109.4°
H11	C3	H12	109.5°	109.5°
H11	C3	H13	109.4°	109.5°
H12	C3	H13	109.5°	109.4°
H14	C10	H15	109.4°	109.4°
H16	N19	H17	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	C5	H2	180.0°	180.0°
C6	C7	C8	H1	180.0°	179.7°
C7	C6	C5	C4	0.3°	0.0°
C6	C7	C8	C9	2.0°	0.2°
C6	C7	C8	H4	178.0°	179.7°
C7	C6	C5	H5	179.7°	180.0°
C5	C6	C7	C8	1.2°	0.0°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C9	0.8°	0.2°
C6	C5	C4	N2	177.0°	180.0°
C5	C6	C7	H1	178.8°	179.7°
C7	C8	C9	H4	180.0°	180.0°
C7	C8	C9	C4	1.4°	0.5°
C7	C8	C9	C10	175.2°	180.0°
C8	C7	C6	H2	178.8°	180.0°
C5	C4	C9	C8	0.0°	0.5°
C5	C4	C9	N2	177.7°	179.8°
C5	C4	C9	C10	176.5°	180.0°
C5	C4	N2	C3	124.4°	60.0°
C5	C4	N2	C1	53.6°	63.9°
C4	C5	C6	H2	179.7°	180.0°
C8	C9	C4	C10	176.6°	179.5°
C8	C9	C4	N2	177.7°	179.8°
C8	C9	C10	N11	117.4°	100.0°
C9	C8	C7	H1	178.0°	180.0°
C8	C9	C10	H14	2.6°	20.0°
C8	C9	C10	H15	122.5°	140.0°
C9	C4	N2	C3	57.9°	120.2°
C9	C4	N2	C1	124.2°	115.8°
C4	C9	C10	N11	59.2°	79.6°
C4	C9	C8	H4	178.6°	179.5°
C9	C4	C5	H5	179.1°	179.8°
C4	C9	C10	H14	179.2°	160.5°
C4	C9	C10	H15	60.9°	40.5°
N2	C4	C9	C10	1.1°	0.2°
C4	N2	C3	C1	177.9°	123.9°
N2	C4	C5	H5	3.0°	0.0°
C4	N2	C1	H8	180.0°	59.9°
C4	N2	C1	H9	60.0°	180.0°
C4	N2	C1	H10	60.0°	60.0°
C4	N2	C3	H11	180.0°	60.0°
C4	N2	C3	H12	60.0°	180.0°
C4	N2	C3	H13	60.0°	60.0°
C9	C10	N11	H14	120.1°	120.0°
C9	C10	N11	H15	120.0°	120.1°
C9	C10	N11	C12	67.4°	180.0°
C10	C9	C8	H4	4.8°	0.0°
C9	C10	H14	H15	119.9°	120.1°
C9	C10	N11	H18	170.9°	0.0°
C3	N2	C1	H8	1.9°	64.0°
C3	N2	C1	H9	118.1°	56.1°
C3	N2	C1	H10	122.0°	176.0°
N2	C3	H11	H12	120.0°	120.0°
N2	C3	H11	H13	120.0°	120.0°
N2	C3	H12	H13	120.0°	120.0°
N2	C1	H8	H9	120.0°	120.1°
N2	C1	H8	H10	120.0°	120.0°
N2	C1	H9	H10	120.0°	119.9°
C1	N2	C3	H11	2.1°	176.1°
C1	N2	C3	H12	122.1°	56.0°
C1	N2	C3	H13	117.9°	63.9°
C10	N11	C12	H18	121.7°	180.0°
C10	N11	C12	C13	11.6°	0.0°
C10	N11	C12	N17	170.1°	180.0°
N11	C10	H14	H15	119.9°	119.9°
N11	C12	C13	N17	178.2°	180.0°
N11	C12	C13	C14	179.6°	180.0°
N11	C12	N17	C16	179.4°	179.7°
N11	C12	C13	H6	0.4°	0.0°
C12	N11	C10	H14	52.6°	60.0°
C12	N11	C10	H15	172.5°	59.9°
C12	C13	C14	H6	180.0°	180.0°
C12	C13	C14	C15	0.4°	0.0°
C13	C12	N17	C16	1.1°	0.3°
C12	C13	C14	H3	179.6°	179.7°
C13	C12	N11	H18	110.1°	180.0°
C14	C13	C12	N17	1.4°	0.0°
C13	C14	C15	H3	180.0°	179.8°
C13	C14	C15	C16	0.8°	0.2°
C13	C14	C15	C18	179.9°	179.7°
C12	N17	C16	C15	0.2°	0.6°
N17	C12	C13	H6	178.6°	180.0°
C12	N17	C16	H7	179.9°	180.0°
N17	C12	N11	H18	68.2°	0.0°
C14	C15	C16	N17	1.2°	0.6°
C14	C15	C16	C18	179.1°	179.9°
C14	C15	C18	O20	13.1°	0.0°
C14	C15	C18	N19	165.4°	180.0°
C15	C14	C13	H6	179.6°	180.0°
C14	C15	C16	H7	178.9°	180.0°
N17	C16	C15	H7	180.0°	179.4°
N17	C16	C15	C18	179.7°	179.4°
C16	C15	C18	O20	166.1°	179.9°
C16	C15	C18	N19	15.4°	0.0°
C16	C15	C14	H3	179.2°	180.0°
C15	C18	O20	N19	178.4°	180.0°
C18	C15	C14	H3	0.1°	0.0°
C18	C15	C16	H7	0.3°	0.0°
C15	C18	N19	H16	178.5°	0.0°
C15	C18	N19	H17	1.5°	180.0°
O20	C18	N19	H16	0.0°	179.9°
O20	C18	N19	H17	180.0°	0.0°
C18	N19	H16	H17	180.0°	180.0°
H1	C7	C6	H2	1.2°	0.2°
H1	C7	C8	H4	2.0°	0.0°
H2	C6	C5	H5	0.3°	0.0°
H3	C14	C13	H6	0.4°	0.3°
H8	C1	H9	H10	120.0°	120.0°
H11	C3	H12	H13	120.0°	120.0°
H14	C10	N11	H18	69.0°	120.0°
H15	C10	N11	H18	50.9°	120.0°

Release date:	2016-03-16
Definition date:	2015-03-17
Last modified:	2016-03-11
Release status:	REL
Processing site:	RCSB
Derived from:	4YQ7