TEK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C13	doub	1.21Å	1.18Å
C15	C13	sing	1.51Å	1.51Å
C13	N12	sing	1.35Å	1.45Å
N10	C09	sing	1.36Å	1.35Å	Aromatic
N10	C11	doub	1.31Å	1.32Å	Aromatic
C08	C09	doub	1.40Å	1.41Å	Aromatic
C08	C07	sing	1.38Å	1.38Å	Aromatic
C09	C04	sing	1.40Å	1.37Å	Aromatic
N12	C11	sing	1.38Å	1.44Å
C07	C06	doub	1.39Å	1.39Å	Aromatic
C11	N03	sing	1.37Å	1.32Å	Aromatic
C04	N03	sing	1.38Å	1.36Å	Aromatic
C04	C05	doub	1.39Å	1.42Å	Aromatic
N03	C02	sing	1.47Å	1.45Å
C06	C05	sing	1.38Å	1.39Å	Aromatic
C01	C02	sing	1.53Å	1.52Å
N12	H1	sing	0.97Å	1.00Å
C15	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C02	H8	sing	1.09Å	1.10Å
C02	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.08Å	1.08Å
C06	H11	sing	1.08Å	1.08Å
C07	H12	sing	1.08Å	1.08Å
C08	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	C13	C15	118.3°	120.0°
O14	C13	N12	121.8°	120.0°
C15	C13	N12	119.9°	120.0°
C13	C15	H2	109.5°	109.5°
C13	C15	H3	109.5°	109.5°
C13	C15	H4	109.4°	109.5°
C13	N12	C11	117.0°	120.0°
C13	N12	H1	121.5°	120.0°
C09	N10	C11	108.0°	109.7°
N10	C09	C08	132.1°	133.5°
N10	C09	C04	107.4°	107.1°
N10	C11	N12	124.1°	125.1°
N10	C11	N03	110.0°	109.9°
C09	C08	C07	119.0°	119.8°
C08	C09	C04	120.5°	119.4°
C09	C08	H13	120.5°	120.1°
C08	C07	C06	121.3°	120.4°
C08	C07	H12	119.4°	119.8°
C07	C08	H13	120.5°	120.1°
C09	C04	N03	106.8°	106.1°
C09	C04	C05	119.7°	120.0°
N12	C11	N03	126.0°	125.0°
C11	N12	H1	121.5°	120.0°
C07	C06	C05	119.4°	120.5°
C07	C06	H11	120.3°	119.8°
C06	C07	H12	119.4°	119.8°
C11	N03	C04	107.9°	107.2°
C11	N03	C02	124.7°	126.3°
N03	C04	C05	133.5°	133.9°
C04	N03	C02	127.4°	126.4°
C04	C05	C06	120.1°	119.8°
C04	C05	H10	119.9°	120.0°
N03	C02	C01	113.9°	109.4°
N03	C02	H8	108.3°	109.5°
N03	C02	H9	108.4°	109.5°
C06	C05	H10	120.0°	120.1°
C05	C06	H11	120.3°	119.8°
C02	C01	H5	109.5°	109.4°
C02	C01	H6	109.5°	109.5°
C02	C01	H7	109.5°	109.5°
C01	C02	H8	108.4°	109.4°
C01	C02	H9	108.4°	109.5°
H2	C15	H3	109.4°	109.5°
H2	C15	H4	109.5°	109.5°
H3	C15	H4	109.5°	109.4°
H5	C01	H6	109.4°	109.4°
H5	C01	H7	109.5°	109.5°
H6	C01	H7	109.4°	109.5°
H8	C02	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C13	C15	N12	179.7°	179.9°
O14	C13	N12	C11	0.5°	0.1°
O14	C13	N12	H1	179.5°	179.8°
O14	C13	C15	H2	0.0°	180.0°
O14	C13	C15	H3	120.0°	60.0°
O14	C13	C15	H4	120.0°	59.9°
C15	C13	N12	C11	179.8°	180.0°
C15	C13	N12	H1	0.2°	0.3°
C13	C15	H2	H3	120.0°	120.0°
C13	C15	H2	H4	120.0°	120.0°
C13	C15	H3	H4	120.0°	120.0°
C13	N12	C11	N10	26.2°	0.0°
C13	N12	C11	H1	180.0°	179.7°
C13	N12	C11	N03	153.7°	179.7°
N12	C13	C15	H2	179.7°	0.0°
N12	C13	C15	H3	59.7°	120.1°
N12	C13	C15	H4	60.3°	120.0°
N10	C09	C08	C04	179.5°	179.4°
N10	C09	C08	C07	179.7°	180.0°
C09	N10	C11	N12	179.9°	180.0°
C09	N10	C11	N03	0.0°	0.3°
N10	C09	C04	N03	0.3°	0.1°
N10	C09	C04	C05	180.0°	179.9°
N10	C09	C08	H13	0.3°	0.7°
C11	N10	C09	C08	179.7°	179.3°
C11	N10	C09	C04	0.2°	0.1°
N10	C11	N12	N03	179.9°	179.7°
N10	C11	N03	C04	0.2°	0.3°
N10	C11	N03	C02	179.2°	179.7°
N10	C11	N12	H1	153.8°	179.7°
C09	C08	C07	H13	180.0°	179.3°
C09	C08	C07	C06	0.2°	0.4°
C08	C09	C04	N03	179.9°	179.6°
C08	C09	C04	C05	0.4°	0.6°
C09	C08	C07	H12	179.8°	179.7°
C07	C08	C09	C04	0.2°	0.6°
C08	C07	C06	H12	180.0°	179.9°
C08	C07	C06	C05	0.5°	0.1°
C08	C07	C06	H11	179.5°	180.0°
C09	C04	N03	C11	0.3°	0.3°
C09	C04	N03	C05	179.6°	179.7°
C09	C04	N03	C02	179.3°	179.8°
C09	C04	C05	C06	0.1°	0.3°
C09	C04	C05	H10	179.9°	179.7°
C04	C09	C08	H13	179.8°	180.0°
N12	C11	N03	C04	179.9°	180.0°
N12	C11	N03	C02	0.9°	0.0°
C07	C06	C05	C04	0.3°	0.1°
C07	C06	C05	H11	180.0°	179.9°
C07	C06	C05	H10	179.7°	180.0°
C06	C07	C08	H13	179.7°	179.7°
C11	N03	C04	C02	179.0°	179.9°
C11	N03	C04	C05	179.9°	180.0°
C11	N03	C02	C01	122.2°	90.1°
N03	C11	N12	H1	26.3°	0.0°
C11	N03	C02	H8	117.1°	150.0°
C11	N03	C02	H9	1.6°	29.9°
N03	C04	C05	C06	179.7°	180.0°
C04	N03	C02	C01	58.9°	90.0°
C04	N03	C02	H8	61.7°	29.9°
C04	N03	C02	H9	179.6°	150.0°
N03	C04	C05	H10	0.3°	0.0°
C05	C04	N03	C02	1.1°	0.1°
C04	C05	C06	H10	180.0°	180.0°
C04	C05	C06	H11	179.7°	179.9°
N03	C02	C01	H8	120.6°	120.0°
N03	C02	C01	H9	120.6°	120.0°
N03	C02	C01	H5	180.0°	179.9°
N03	C02	C01	H6	60.0°	60.0°
N03	C02	C01	H7	60.0°	60.1°
N03	C02	H8	H9	118.0°	120.0°
C05	C06	C07	H12	179.5°	180.0°
C02	C01	H5	H6	120.0°	120.0°
C02	C01	H5	H7	120.0°	120.0°
C02	C01	H6	H7	120.0°	120.1°
C01	C02	H8	H9	118.0°	120.0°
H2	C15	H3	H4	120.0°	120.0°
H5	C01	H6	H7	120.0°	120.0°
H5	C01	C02	H8	59.4°	60.0°
H5	C01	C02	H9	59.3°	60.0°
H6	C01	C02	H8	179.4°	60.0°
H6	C01	C02	H9	60.7°	180.0°
H7	C01	C02	H8	60.7°	180.0°
H7	C01	C02	H9	179.4°	59.9°
H10	C05	C06	H11	0.3°	0.1°
H11	C06	C07	H12	0.5°	0.1°
H12	C07	C08	H13	0.2°	0.4°

Release date:	2022-01-12
Definition date:	2020-12-21
Last modified:	2022-01-07
Release status:	REL
Processing site:	PDBE
Derived from:	7BDG