A1EG9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C13	sing	0.00Å	1.40Å
C13	C12	doub	0.00Å	1.39Å	Aromatic
C13	C14	sing	0.00Å	1.40Å	Aromatic
C12	C11	sing	0.00Å	1.41Å	Aromatic
C14	C15	doub	0.00Å	1.39Å	Aromatic
C01	N02	sing	0.00Å	1.45Å
C04	N02	sing	0.00Å	1.46Å
C11	C10	doub	0.00Å	1.37Å	Aromatic
C11	C07	sing	0.00Å	1.41Å	Aromatic
C15	C10	sing	0.00Å	1.43Å	Aromatic
C06	C07	sing	0.00Å	1.54Å
C06	C05	sing	0.00Å	1.55Å
N02	C05	sing	0.00Å	1.49Å
N02	C03	sing	0.00Å	1.44Å
C10	N09	sing	0.00Å	1.37Å	Aromatic
C07	C08	doub	0.00Å	1.37Å	Aromatic
N09	C08	sing	0.00Å	1.34Å	Aromatic
C15	H1	sing	0.00Å	1.08Å
C01	H2	sing	0.00Å	1.10Å
C01	H3	sing	0.00Å	1.10Å
C01	H4	sing	0.00Å	1.10Å
C03	H5	sing	0.00Å	1.10Å
C03	H6	sing	0.00Å	1.10Å
C03	H7	sing	0.00Å	1.10Å
C04	H8	sing	0.00Å	1.10Å
C04	H9	sing	0.00Å	1.10Å
C04	H10	sing	0.00Å	1.10Å
C05	H11	sing	0.00Å	1.10Å
C05	H12	sing	0.00Å	1.10Å
C06	H13	sing	0.00Å	1.10Å
C06	H14	sing	0.00Å	1.10Å
C08	H15	sing	0.00Å	1.08Å
N09	H16	sing	0.00Å	1.00Å
C12	H17	sing	0.00Å	1.08Å
C14	H18	sing	0.00Å	1.08Å
O16	H19	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O16	C13	C12	119.8°	90.0°
O16	C13	C14	120.2°	90.0°
C13	O16	H19	109.5°	90.0°
C12	C13	C14	120.0°	90.0°
C13	C12	C11	119.9°	90.0°
C13	C12	H17	120.1°	90.0°
C13	C14	C15	120.3°	90.0°
C13	C14	H18	119.9°	90.0°
C12	C11	C10	120.4°	90.0°
C12	C11	C07	132.8°	90.0°
C11	C12	H17	120.0°	90.0°
C14	C15	C10	119.6°	90.0°
C14	C15	H1	120.2°	90.0°
C15	C14	H18	119.8°	90.0°
C01	N02	C04	109.7°	90.0°
C01	N02	C05	109.8°	90.0°
C01	N02	C03	107.6°	90.0°
N02	C01	H2	109.5°	90.0°
N02	C01	H3	109.5°	90.0°
N02	C01	H4	109.5°	90.0°
C04	N02	C05	116.8°	90.0°
C04	N02	C03	103.1°	90.0°
N02	C04	H8	109.5°	90.0°
N02	C04	H9	109.4°	90.0°
N02	C04	H10	109.4°	90.0°
C10	C11	C07	106.8°	90.0°
C11	C10	C15	119.9°	90.0°
C11	C10	N09	107.7°	90.0°
C11	C07	C06	122.7°	90.0°
C11	C07	C08	107.5°	90.0°
C15	C10	N09	132.5°	90.0°
C10	C15	H1	120.2°	90.0°
C07	C06	C05	120.8°	90.0°
C06	C07	C08	129.7°	90.0°
C07	C06	H13	106.6°	90.0°
C07	C06	H14	106.6°	90.0°
C06	C05	N02	112.5°	90.0°
C06	C05	H11	108.7°	90.0°
C06	C05	H12	108.7°	90.0°
C05	C06	H13	106.6°	90.0°
C05	C06	H14	106.6°	90.0°
C05	N02	C03	109.4°	90.0°
N02	C05	H11	108.7°	90.0°
N02	C05	H12	108.7°	90.0°
N02	C03	H5	109.5°	90.0°
N02	C03	H6	109.5°	90.0°
N02	C03	H7	109.5°	90.0°
C10	N09	C08	110.2°	90.0°
C10	N09	H16	124.9°	90.0°
C07	C08	N09	107.7°	90.0°
C07	C08	H15	126.1°	90.0°
N09	C08	H15	126.1°	90.0°
C08	N09	H16	124.9°	90.0°
H2	C01	H3	109.5°	90.0°
H2	C01	H4	109.4°	90.0°
H3	C01	H4	109.5°	90.0°
H5	C03	H6	109.5°	90.0°
H5	C03	H7	109.4°	90.0°
H6	C03	H7	109.5°	90.0°
H8	C04	H9	109.5°	90.0°
H8	C04	H10	109.5°	90.0°
H9	C04	H10	109.5°	90.0°
H11	C05	H12	109.5°	90.0°
H13	C06	H14	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C13	C12	C14	179.9°	90.0°
O16	C13	C12	C11	179.9°	90.0°
O16	C13	C14	C15	179.9°	90.0°
O16	C13	C12	H17	0.1°	90.0°
O16	C13	C14	H18	0.1°	90.0°
C13	C12	C11	H17	180.0°	90.0°
C12	C13	C14	C15	0.1°	90.0°
C13	C12	C11	C10	0.2°	90.0°
C13	C12	C11	C07	179.2°	90.0°
C12	C13	C14	H18	179.9°	90.0°
C12	C13	O16	H19	180.0°	90.0°
C14	C13	C12	C11	0.2°	90.0°
C13	C14	C15	H18	180.0°	90.0°
C13	C14	C15	C10	0.1°	90.0°
C13	C14	C15	H1	179.9°	90.0°
C14	C13	C12	H17	179.8°	90.0°
C14	C13	O16	H19	0.1°	90.0°
C12	C11	C10	C07	179.5°	90.0°
C12	C11	C10	C15	0.1°	90.0°
C12	C11	C07	C06	2.1°	90.0°
C12	C11	C10	N09	180.0°	90.0°
C12	C11	C07	C08	179.7°	90.0°
C14	C15	C10	C11	0.1°	90.0°
C14	C15	C10	H1	180.0°	90.0°
C14	C15	C10	N09	179.9°	90.0°
C01	N02	C04	C05	125.6°	90.0°
C01	N02	C04	C03	114.4°	90.0°
C01	N02	C05	C06	71.1°	90.0°
C01	N02	C05	C03	117.9°	90.0°
N02	C01	H2	H3	120.0°	90.0°
N02	C01	H2	H4	120.0°	90.0°
N02	C01	H3	H4	120.0°	90.0°
C01	N02	C03	H5	180.0°	90.0°
C01	N02	C03	H6	60.0°	90.0°
C01	N02	C03	H7	60.0°	90.0°
C01	N02	C04	H8	180.0°	90.0°
C01	N02	C04	H9	60.0°	90.0°
C01	N02	C04	H10	60.0°	90.0°
C01	N02	C05	H11	168.5°	90.0°
C01	N02	C05	H12	49.4°	90.0°
C04	N02	C05	C06	54.6°	90.0°
C04	N02	C05	C03	116.5°	90.0°
C04	N02	C01	H2	180.0°	90.0°
C04	N02	C01	H3	60.0°	90.0°
C04	N02	C01	H4	60.0°	90.0°
C04	N02	C03	H5	64.1°	90.0°
C04	N02	C03	H6	175.9°	90.0°
C04	N02	C03	H7	55.9°	90.0°
N02	C04	H8	H9	120.0°	90.0°
N02	C04	H8	H10	120.0°	90.0°
N02	C04	H9	H10	120.0°	90.0°
C04	N02	C05	H11	65.9°	90.0°
C04	N02	C05	H12	175.0°	90.0°
C11	C10	C15	N09	179.9°	90.0°
C10	C11	C07	C06	178.5°	90.0°
C10	C11	C07	C08	0.9°	90.0°
C11	C10	N09	C08	0.1°	90.0°
C11	C10	C15	H1	179.9°	90.0°
C11	C10	N09	H16	179.9°	90.0°
C10	C11	C12	H17	179.8°	90.0°
C07	C11	C10	C15	179.4°	90.0°
C11	C07	C06	C08	177.0°	90.0°
C11	C07	C06	C05	158.6°	90.0°
C07	C11	C10	N09	0.5°	90.0°
C11	C07	C08	N09	1.0°	90.0°
C11	C07	C06	H13	37.0°	90.0°
C11	C07	C06	H14	79.8°	90.0°
C11	C07	C08	H15	179.0°	90.0°
C07	C11	C12	H17	0.9°	90.0°
C15	C10	N09	C08	180.0°	90.0°
C15	C10	N09	H16	0.0°	90.0°
C10	C15	C14	H18	179.9°	90.0°
C07	C06	C05	H13	121.6°	90.0°
C07	C06	C05	H14	121.6°	90.0°
C07	C06	C05	N02	171.0°	90.0°
C06	C07	C08	N09	178.3°	90.0°
C07	C06	C05	H11	68.5°	90.0°
C07	C06	C05	H12	50.6°	90.0°
C07	C06	H13	H14	114.9°	90.0°
C06	C07	C08	H15	1.7°	90.0°
C06	C05	N02	H11	120.4°	90.0°
C06	C05	N02	H12	120.4°	90.0°
C06	C05	N02	C03	171.1°	90.0°
C05	C06	C07	C08	24.4°	90.0°
C06	C05	H11	H12	118.6°	90.0°
C05	C06	H13	H14	114.9°	90.0°
C05	N02	C01	H2	50.4°	90.0°
C05	N02	C01	H3	69.6°	90.0°
C05	N02	C01	H4	170.4°	90.0°
C05	N02	C03	H5	60.8°	90.0°
C05	N02	C03	H6	59.2°	90.0°
C05	N02	C03	H7	179.2°	90.0°
C05	N02	C04	H8	54.4°	90.0°
C05	N02	C04	H9	174.4°	90.0°
C05	N02	C04	H10	65.7°	90.0°
N02	C05	H11	H12	118.7°	90.0°
N02	C05	C06	H13	49.4°	90.0°
N02	C05	C06	H14	67.4°	90.0°
C03	N02	C01	H2	68.6°	90.0°
C03	N02	C01	H3	171.4°	90.0°
C03	N02	C01	H4	51.4°	90.0°
N02	C03	H5	H6	120.0°	90.0°
N02	C03	H5	H7	120.0°	90.0°
N02	C03	H6	H7	120.0°	90.0°
C03	N02	C04	H8	65.6°	90.0°
C03	N02	C04	H9	54.4°	90.0°
C03	N02	C04	H10	174.3°	90.0°
C03	N02	C05	H11	50.7°	90.0°
C03	N02	C05	H12	68.5°	90.0°
C10	N09	C08	C07	0.7°	90.0°
C10	N09	C08	H16	180.0°	90.0°
N09	C10	C15	H1	0.1°	90.0°
C10	N09	C08	H15	179.3°	90.0°
C07	C08	N09	H15	180.0°	90.0°
C08	C07	C06	H13	146.0°	90.0°
C08	C07	C06	H14	97.1°	90.0°
C07	C08	N09	H16	179.3°	90.0°
H1	C15	C14	H18	0.1°	90.0°
H2	C01	H3	H4	120.0°	90.0°
H5	C03	H6	H7	120.0°	90.0°
H8	C04	H9	H10	120.0°	90.0°
H11	C05	C06	H13	169.9°	90.0°
H11	C05	C06	H14	53.1°	90.0°
H12	C05	C06	H13	71.0°	90.0°
H12	C05	C06	H14	172.1°	90.0°
H15	C08	N09	H16	0.7°	90.0°

Release date:	2025-12-03
Definition date:	2024-12-09
Last modified:	2025-11-28
Release status:	REL
Processing site:	PDBC
Derived from:	9KVH