T3T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C17	sing	1.44Å	1.40Å
O16	C14	sing	1.36Å	1.41Å
C17	O18	sing	1.44Å	1.41Å
C03	C02	doub	1.38Å	1.39Å	Aromatic
C03	N04	sing	1.32Å	1.32Å	Aromatic
C02	C01	sing	1.39Å	1.38Å	Aromatic
N04	C05	doub	1.32Å	1.32Å	Aromatic
C14	C15	doub	1.39Å	1.42Å	Aromatic
C14	C13	sing	1.39Å	1.37Å	Aromatic
C15	C10	sing	1.38Å	1.39Å	Aromatic
N08	C09	sing	1.47Å	1.46Å
N08	C07	sing	1.47Å	1.46Å
O18	C13	sing	1.36Å	1.42Å
C13	C12	doub	1.38Å	1.42Å	Aromatic
C10	C09	sing	1.51Å	1.53Å
C10	C11	doub	1.38Å	1.40Å	Aromatic
C05	C06	sing	1.38Å	1.39Å	Aromatic
C05	C07	sing	1.51Å	1.54Å
C01	C06	doub	1.39Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.08Å	1.08Å
C02	H5	sing	1.08Å	1.08Å
C03	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C09	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
N08	H14	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	O16	C14	106.4°	105.5°
O16	C17	O18	105.8°	103.7°
O16	C17	H2	110.4°	110.7°
O16	C17	H3	110.4°	110.6°
O16	C14	C15	132.0°	131.6°
O16	C14	C13	107.6°	108.7°
C17	O18	C13	105.6°	105.5°
O18	C17	H2	110.4°	110.6°
O18	C17	H3	110.4°	110.6°
C02	C03	N04	120.0°	120.8°
C03	C02	C01	119.5°	119.2°
C03	C02	H5	120.3°	120.4°
C02	C03	H6	120.0°	119.6°
C03	N04	C05	121.4°	121.7°
N04	C03	H6	120.0°	119.7°
C02	C01	C06	119.6°	118.4°
C02	C01	H4	120.2°	120.8°
C01	C02	H5	120.3°	120.4°
N04	C05	C06	121.9°	120.7°
N04	C05	C07	119.9°	119.6°
C15	C14	C13	120.3°	119.8°
C14	C15	C10	119.6°	120.1°
C14	C15	H1	120.2°	120.0°
C14	C13	O18	108.2°	108.6°
C14	C13	C12	120.0°	119.8°
C15	C10	C09	120.3°	119.9°
C15	C10	C11	120.2°	120.2°
C10	C15	H1	120.2°	120.0°
C09	N08	C07	109.0°	111.0°
N08	C09	C10	110.2°	109.5°
N08	C09	H10	109.3°	109.5°
N08	C09	H11	109.3°	109.5°
C09	N08	H14	109.6°	111.0°
N08	C07	C05	113.4°	109.5°
N08	C07	H8	108.5°	109.4°
N08	C07	H9	108.5°	109.6°
C07	N08	H14	109.6°	111.0°
O18	C13	C12	131.8°	131.6°
C13	C12	C11	119.7°	120.1°
C13	C12	H13	120.1°	120.0°
C09	C10	C11	119.5°	119.9°
C10	C09	H10	109.3°	109.4°
C10	C09	H11	109.3°	109.5°
C10	C11	C12	120.2°	120.1°
C10	C11	H12	119.9°	119.9°
C06	C05	C07	118.2°	119.6°
C05	C06	C01	117.6°	119.2°
C05	C06	H7	121.2°	120.4°
C05	C07	H8	108.5°	109.5°
C05	C07	H9	108.5°	109.5°
C06	C01	H4	120.2°	120.8°
C01	C06	H7	121.2°	120.4°
C12	C11	H12	119.9°	120.0°
C11	C12	H13	120.1°	120.0°
H2	C17	H3	109.5°	110.5°
H8	C07	H9	109.5°	109.4°
H10	C09	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C17	O18	H2	119.4°	118.7°
O16	C17	O18	H3	119.4°	118.6°
C17	O16	C14	C15	164.6°	162.8°
C17	O16	C14	C13	15.3°	17.3°
O16	C17	O18	C13	24.3°	27.3°
O16	C17	H2	H3	121.7°	122.9°
C14	O16	C17	O18	24.5°	27.2°
O16	C14	C15	C13	179.8°	179.9°
O16	C14	C15	C10	180.0°	180.0°
O16	C14	C13	O18	0.0°	0.0°
O16	C14	C13	C12	180.0°	179.8°
O16	C14	C15	H1	0.0°	0.1°
C14	O16	C17	H2	144.0°	91.4°
C14	O16	C17	H3	94.9°	145.8°
C17	O18	C13	C14	15.1°	17.4°
C17	O18	C13	C12	164.8°	162.4°
O18	C17	H2	H3	121.7°	122.7°
C02	C03	N04	H6	180.0°	179.9°
C03	C02	C01	H5	180.0°	180.0°
C02	C03	N04	C05	1.0°	0.2°
C03	C02	C01	C06	0.1°	0.1°
C03	C02	C01	H4	179.9°	179.7°
N04	C03	C02	C01	0.4°	0.1°
C03	N04	C05	C06	1.4°	0.6°
C03	N04	C05	C07	179.5°	180.0°
N04	C03	C02	H5	179.6°	180.0°
C02	C01	C06	C05	0.4°	0.3°
C02	C01	C06	H4	180.0°	179.8°
C01	C02	C03	H6	179.6°	180.0°
C02	C01	C06	H7	179.6°	179.7°
N04	C05	C07	N08	34.1°	85.5°
N04	C05	C06	C07	179.1°	179.5°
N04	C05	C06	C01	1.0°	0.6°
C05	N04	C03	H6	179.0°	179.7°
N04	C05	C06	H7	179.0°	179.4°
N04	C05	C07	H8	86.5°	34.4°
N04	C05	C07	H9	154.6°	154.4°
C14	C15	C10	H1	180.0°	179.9°
C15	C14	C13	O18	179.8°	179.9°
C15	C14	C13	C12	0.1°	0.3°
C14	C15	C10	C09	179.9°	180.0°
C14	C15	C10	C11	0.2°	0.1°
C13	C14	C15	C10	0.2°	0.1°
C14	C13	O18	C12	179.9°	179.7°
C14	C13	C12	C11	0.1°	0.2°
C13	C14	C15	H1	179.8°	180.0°
C14	C13	C12	H13	179.9°	179.9°
C15	C10	C09	N08	118.8°	90.2°
C15	C10	C09	C11	179.9°	179.8°
C15	C10	C11	C12	0.0°	0.2°
C15	C10	C09	H10	121.0°	29.8°
C15	C10	C09	H11	1.3°	149.7°
C15	C10	C11	H12	180.0°	179.7°
C09	N08	C07	H14	119.9°	124.0°
N08	C09	C10	H10	120.1°	120.0°
N08	C09	C10	H11	120.1°	120.1°
N08	C09	C10	C11	61.1°	90.0°
C09	N08	C07	C05	125.1°	180.0°
C09	N08	C07	H8	4.6°	60.0°
C09	N08	C07	H9	114.3°	60.0°
N08	C09	H10	H11	119.7°	120.1°
C07	N08	C09	C10	125.3°	179.9°
N08	C07	C05	C06	146.8°	95.0°
N08	C07	C05	H8	120.6°	119.9°
N08	C07	C05	H9	120.6°	120.1°
N08	C07	H8	H9	118.2°	120.1°
C07	N08	C09	H10	5.1°	60.0°
C07	N08	C09	H11	114.6°	60.0°
O18	C13	C12	C11	180.0°	180.0°
C13	O18	C17	H2	143.7°	91.4°
C13	O18	C17	H3	95.1°	145.9°
O18	C13	C12	H13	0.0°	0.2°
C13	C12	C11	C10	0.1°	0.0°
C13	C12	C11	H13	180.0°	179.8°
C13	C12	C11	H12	179.9°	179.9°
C09	C10	C11	C12	179.9°	179.9°
C09	C10	C15	H1	0.0°	0.1°
C10	C09	H10	H11	119.7°	119.9°
C09	C10	C11	H12	0.1°	0.1°
C10	C09	N08	H14	5.4°	56.1°
C10	C11	C12	H12	180.0°	180.0°
C11	C10	C15	H1	179.8°	179.8°
C11	C10	C09	H10	59.1°	150.0°
C11	C10	C09	H11	178.8°	30.1°
C10	C11	C12	H13	179.9°	179.8°
C05	C06	C01	H7	180.0°	180.0°
C05	C06	C01	H4	179.6°	180.0°
C06	C05	C07	H8	92.6°	145.0°
C06	C05	C07	H9	26.3°	25.1°
C07	C05	C06	C01	179.9°	180.0°
C07	C05	C06	H7	0.1°	0.1°
C05	C07	H8	H9	118.2°	120.0°
C05	C07	N08	H14	114.9°	56.0°
C06	C01	C02	H5	179.9°	180.0°
H4	C01	C02	H5	0.1°	0.3°
H4	C01	C06	H7	0.4°	0.0°
H5	C02	C03	H6	0.4°	0.1°
H8	C07	N08	H14	124.5°	64.0°
H9	C07	N08	H14	5.6°	176.0°
H10	C09	N08	H14	114.7°	176.0°
H11	C09	N08	H14	125.5°	64.0°
H12	C11	C12	H13	0.1°	0.3°

Release date:	2022-01-12
Definition date:	2020-12-14
Last modified:	2022-01-07
Release status:	REL
Processing site:	PDBE
Derived from:	7B9I