73F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.40Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.39Å	1.34Å	Aromatic
C2	C1	doub	1.39Å	1.35Å	Aromatic
C18	C19	doub	1.38Å	1.40Å	Aromatic
C18	C17	sing	1.38Å	1.41Å	Aromatic
C6	C1	sing	1.41Å	1.37Å	Aromatic
C6	N7	sing	1.39Å	1.35Å
C19	C14	sing	1.38Å	1.41Å	Aromatic
C1	C9	sing	1.47Å	1.42Å
N7	C12	sing	1.47Å	1.49Å
N7	C8	sing	1.34Å	1.33Å
C12	C13	sing	1.53Å	1.50Å
C17	C16	doub	1.38Å	1.40Å	Aromatic
C14	C13	sing	1.51Å	1.45Å
C14	C15	doub	1.38Å	1.40Å	Aromatic
C9	O11	doub	1.21Å	1.40Å
C9	C8	sing	1.50Å	1.42Å
C8	O10	doub	1.21Å	1.24Å
C16	C15	sing	1.38Å	1.40Å	Aromatic
C2	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C17	H13	sing	1.08Å	1.08Å
C18	H14	sing	1.08Å	1.08Å
C19	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	121.2°	120.7°
C4	C3	C2	116.3°	120.0°
C4	C3	H4	121.8°	120.0°
C3	C4	H5	119.4°	119.6°
C4	C5	C6	120.4°	120.2°
C5	C4	H5	119.4°	119.7°
C4	C5	H6	119.8°	119.9°
C3	C2	C1	121.4°	119.8°
C3	C2	H3	119.3°	120.1°
C2	C3	H4	121.8°	120.0°
C5	C6	C1	118.8°	119.0°
C5	C6	N7	130.2°	131.4°
C6	C5	H6	119.8°	119.9°
C2	C1	C6	121.9°	120.3°
C2	C1	C9	131.6°	133.1°
C1	C2	H3	119.3°	120.1°
C19	C18	C17	119.2°	120.0°
C18	C19	C14	121.4°	120.0°
C19	C18	H14	120.4°	120.0°
C18	C19	H15	119.3°	120.1°
C18	C17	C16	119.8°	120.0°
C18	C17	H13	120.1°	120.0°
C17	C18	H14	120.4°	120.0°
C1	C6	N7	110.7°	109.6°
C6	C1	C9	106.3°	106.6°
C6	N7	C12	128.3°	124.3°
C6	N7	C8	107.4°	111.4°
C19	C14	C13	119.1°	120.0°
C19	C14	C15	118.9°	120.0°
C14	C19	H15	119.3°	120.0°
C1	C9	O11	115.2°	127.6°
C1	C9	C8	104.1°	104.8°
C12	N7	C8	123.1°	124.3°
N7	C12	C13	107.5°	109.4°
N7	C12	H7	110.0°	109.5°
N7	C12	H8	110.0°	109.5°
N7	C8	C9	109.6°	107.5°
N7	C8	O10	125.0°	126.2°
C12	C13	C14	108.6°	109.5°
C13	C12	H7	110.0°	109.5°
C13	C12	H8	109.9°	109.5°
C12	C13	H9	109.7°	109.5°
C12	C13	H10	109.7°	109.5°
C17	C16	C15	120.5°	120.0°
C17	C16	H12	119.8°	120.0°
C16	C17	H13	120.1°	120.0°
C13	C14	C15	121.9°	120.0°
C14	C13	H9	109.7°	109.5°
C14	C13	H10	109.7°	109.5°
C14	C15	C16	120.3°	120.0°
C14	C15	H11	119.9°	120.0°
O11	C9	C8	113.6°	127.6°
C9	C8	O10	125.1°	126.2°
C16	C15	H11	119.8°	120.0°
C15	C16	H12	119.8°	120.0°
H7	C12	H8	109.5°	109.5°
H9	C13	H10	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H5	180.0°	180.0°
C4	C3	C2	H4	180.0°	180.0°
C3	C4	C5	C6	1.6°	0.0°
C4	C3	C2	C1	0.2°	0.0°
C4	C3	C2	H3	179.8°	180.0°
C3	C4	C5	H6	178.4°	179.9°
C5	C4	C3	C2	0.4°	0.0°
C4	C5	C6	H6	180.0°	179.9°
C4	C5	C6	C1	3.7°	0.0°
C4	C5	C6	N7	177.1°	179.7°
C5	C4	C3	H4	179.6°	180.0°
C3	C2	C1	H3	180.0°	180.0°
C3	C2	C1	C6	2.0°	0.0°
C3	C2	C1	C9	176.5°	179.9°
C2	C3	C4	H5	179.6°	180.0°
C5	C6	C1	C2	4.0°	0.0°
C5	C6	C1	N7	174.6°	179.7°
C5	C6	C1	C9	179.7°	179.9°
C5	C6	N7	C12	3.4°	0.0°
C5	C6	N7	C8	170.7°	179.9°
C6	C5	C4	H5	178.4°	180.0°
C2	C1	C6	C9	175.7°	179.9°
C2	C1	C6	N7	178.6°	179.7°
C2	C1	C9	O11	48.2°	0.1°
C2	C1	C9	C8	173.4°	180.0°
C1	C2	C3	H4	179.8°	180.0°
C19	C18	C17	H14	180.0°	179.4°
C18	C19	C14	H15	180.0°	179.4°
C19	C18	C17	C16	0.7°	0.3°
C18	C19	C14	C13	179.7°	179.7°
C18	C19	C14	C15	0.3°	0.5°
C19	C18	C17	H13	179.3°	179.7°
C17	C18	C19	C14	0.6°	0.6°
C18	C17	C16	H13	180.0°	179.9°
C18	C17	C16	C15	0.5°	0.0°
C18	C17	C16	H12	179.5°	180.0°
C17	C18	C19	H15	179.4°	180.0°
C1	C6	N7	C12	170.4°	179.7°
C1	C6	N7	C8	3.0°	0.4°
C6	C1	C9	O11	136.7°	180.0°
C6	C1	C9	C8	11.5°	0.0°
C6	C1	C2	H3	178.0°	180.0°
C1	C6	C5	H6	176.3°	179.9°
N7	C6	C1	C9	5.7°	0.2°
C6	N7	C12	C8	165.5°	179.9°
C6	N7	C12	C13	76.0°	90.0°
C6	N7	C8	C9	10.7°	0.4°
C6	N7	C8	O10	175.8°	179.9°
N7	C6	C5	H6	2.9°	0.4°
C6	N7	C12	H7	43.7°	150.0°
C6	N7	C12	H8	164.3°	30.0°
C19	C14	C13	C12	85.4°	90.3°
C19	C14	C13	C15	179.3°	179.8°
C19	C14	C15	C16	0.1°	0.2°
C19	C14	C13	H9	154.7°	149.7°
C19	C14	C13	H10	34.5°	29.7°
C19	C14	C15	H11	179.9°	179.7°
C14	C19	C18	H14	179.4°	180.0°
C1	C9	C8	N7	13.9°	0.3°
C1	C9	O11	C8	120.1°	180.0°
C1	C9	C8	O10	172.6°	180.0°
C9	C1	C2	H3	3.5°	0.1°
N7	C12	C13	H7	119.7°	120.0°
N7	C12	C13	H8	119.7°	120.0°
N7	C12	C13	C14	172.9°	180.0°
C12	N7	C8	C9	178.9°	179.7°
C12	N7	C8	O10	7.6°	0.0°
N7	C12	H7	H8	120.9°	120.0°
N7	C12	C13	H9	67.2°	60.0°
N7	C12	C13	H10	53.0°	60.0°
C8	N7	C12	C13	118.5°	90.1°
N7	C8	C9	O11	140.0°	179.8°
N7	C8	C9	O10	173.5°	179.7°
C8	N7	C12	H7	121.8°	29.9°
C8	N7	C12	H8	1.2°	149.9°
C12	C13	C14	H9	119.9°	120.0°
C12	C13	C14	H10	119.9°	120.0°
C12	C13	C14	C15	95.3°	89.9°
C13	C12	H7	H8	120.9°	120.1°
C12	C13	H9	H10	120.4°	120.0°
C17	C16	C15	C14	0.2°	0.0°
C17	C16	C15	H12	180.0°	179.9°
C17	C16	C15	H11	179.8°	179.9°
C16	C17	C18	H14	179.3°	179.7°
C13	C14	C15	C16	179.4°	180.0°
C14	C13	C12	H7	53.2°	60.0°
C14	C13	C12	H8	67.4°	60.0°
C14	C13	H9	H10	120.4°	120.0°
C13	C14	C15	H11	0.6°	0.1°
C13	C14	C19	H15	0.3°	0.3°
C14	C15	C16	H11	180.0°	179.9°
C15	C14	C13	H9	24.6°	30.1°
C15	C14	C13	H10	144.9°	150.0°
C14	C15	C16	H12	179.8°	179.9°
C15	C14	C19	H15	179.7°	179.9°
O11	C9	C8	O10	46.4°	0.0°
C15	C16	C17	H13	179.5°	180.0°
H3	C2	C3	H4	0.2°	0.1°
H4	C3	C4	H5	0.4°	0.0°
H5	C4	C5	H6	1.6°	0.0°
H7	C12	C13	H9	173.1°	180.0°
H7	C12	C13	H10	66.7°	60.0°
H8	C12	C13	H9	52.5°	60.0°
H8	C12	C13	H10	172.7°	NaN°
H11	C15	C16	H12	0.2°	0.0°
H12	C16	C17	H13	0.5°	0.1°
H13	C17	C18	H14	0.7°	0.3°
H14	C18	C19	H15	0.6°	0.6°

Release date:	2018-08-29
Definition date:	2016-08-19
Last modified:	2018-08-24
Release status:	REL
Processing site:	PDBJ
Derived from:	5GQ5