ULB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C05	sing	1.51Å	1.48Å
N09	C05	doub	1.31Å	1.34Å	Aromatic
N09	N08	sing	1.29Å	1.36Å	Aromatic
C05	N06	sing	1.36Å	1.33Å	Aromatic
N08	C07	doub	1.31Å	1.32Å	Aromatic
N06	C07	sing	1.37Å	1.38Å	Aromatic
C07	C11	sing	1.48Å	1.49Å
C11	C12	doub	1.40Å	1.40Å	Aromatic
C11	C20	sing	1.40Å	1.40Å	Aromatic
C12	C14	sing	1.38Å	1.38Å	Aromatic
O21	C20	sing	1.36Å	1.38Å
O21	C22	sing	1.43Å	1.44Å
C20	C18	doub	1.39Å	1.39Å	Aromatic
C14	C16	doub	1.38Å	1.38Å	Aromatic
C22	C25	sing	1.51Å	1.50Å
C18	C16	sing	1.38Å	1.38Å	Aromatic
C25	C34	doub	1.38Å	1.39Å	Aromatic
C25	C26	sing	1.38Å	1.39Å	Aromatic
C34	C32	sing	1.38Å	1.38Å	Aromatic
C26	C28	doub	1.38Å	1.39Å	Aromatic
C32	C30	doub	1.38Å	1.38Å	Aromatic
C28	C30	sing	1.38Å	1.38Å	Aromatic
C22	H1	sing	1.09Å	1.10Å
C22	H2	sing	1.09Å	1.10Å
C26	H3	sing	1.08Å	1.08Å
C28	H4	sing	1.08Å	1.08Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
N06	H8	sing	0.97Å	1.00Å
C12	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.08Å	1.08Å
C30	H13	sing	1.08Å	1.08Å
C32	H14	sing	1.08Å	1.08Å
C34	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C05	N09	124.6°	126.3°
C01	C05	N06	125.8°	126.2°
C05	C01	H5	109.5°	109.4°
C05	C01	H6	109.5°	109.4°
C05	C01	H7	109.4°	109.5°
C05	N09	N08	110.8°	110.1°
N09	C05	N06	109.6°	107.4°
N09	N08	C07	102.4°	109.7°
C05	N06	C07	103.3°	105.8°
C05	N06	H8	128.4°	127.1°
N08	C07	N06	113.9°	107.0°
N08	C07	C11	123.2°	126.5°
N06	C07	C11	122.9°	126.5°
C07	N06	H8	128.4°	127.1°
C07	C11	C12	117.1°	120.2°
C07	C11	C20	124.4°	120.1°
C12	C11	C20	118.4°	119.6°
C11	C12	C14	120.5°	119.9°
C11	C12	H9	119.7°	120.0°
C11	C20	O21	116.1°	120.1°
C11	C20	C18	120.6°	119.7°
C12	C14	C16	120.4°	120.3°
C14	C12	H9	119.7°	120.1°
C12	C14	H10	119.8°	119.9°
C20	O21	C22	119.5°	117.0°
O21	C20	C18	123.3°	120.1°
O21	C22	C25	110.1°	109.5°
O21	C22	H1	109.3°	109.4°
O21	C22	H2	109.3°	109.5°
C20	C18	C16	119.8°	120.1°
C20	C18	H12	120.1°	120.0°
C14	C16	C18	120.3°	120.3°
C16	C14	H10	119.8°	119.8°
C14	C16	H11	119.9°	119.9°
C22	C25	C34	120.7°	120.0°
C22	C25	C26	120.9°	120.0°
C25	C22	H1	109.3°	109.4°
C25	C22	H2	109.3°	109.5°
C18	C16	H11	119.8°	119.8°
C16	C18	H12	120.1°	120.0°
C34	C25	C26	118.4°	120.0°
C25	C34	C32	120.8°	120.0°
C25	C34	H15	119.6°	120.0°
C25	C26	C28	120.7°	120.0°
C25	C26	H3	119.6°	120.0°
C34	C32	C30	120.3°	120.0°
C34	C32	H14	119.9°	120.0°
C32	C34	H15	119.6°	120.0°
C26	C28	C30	120.2°	120.0°
C28	C26	H3	119.6°	120.0°
C26	C28	H4	119.9°	120.0°
C32	C30	C28	119.6°	120.0°
C32	C30	H13	120.2°	120.0°
C30	C32	H14	119.9°	120.0°
C30	C28	H4	119.9°	120.0°
C28	C30	H13	120.2°	120.0°
H1	C22	H2	109.5°	109.5°
H5	C01	H6	109.4°	109.4°
H5	C01	H7	109.5°	109.5°
H6	C01	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C05	N09	N06	180.0°	179.7°
C01	C05	N09	N08	180.0°	179.8°
C01	C05	N06	C07	180.0°	180.0°
C05	C01	H5	H6	120.0°	119.9°
C05	C01	H5	H7	120.0°	120.0°
C05	C01	H6	H7	120.0°	120.0°
C01	C05	N06	H8	0.0°	0.0°
C05	N09	N08	C07	0.0°	0.5°
N09	C05	N06	C07	0.0°	0.3°
N09	C05	C01	H5	0.0°	90.3°
N09	C05	C01	H6	120.0°	29.7°
N09	C05	C01	H7	120.0°	149.7°
N09	C05	N06	H8	180.0°	179.7°
N08	N09	C05	N06	0.0°	0.4°
N09	N08	C07	N06	0.0°	0.3°
N09	N08	C07	C11	180.0°	179.8°
C05	N06	C07	N08	0.0°	0.0°
C05	N06	C07	H8	180.0°	180.0°
C05	N06	C07	C11	180.0°	180.0°
N06	C05	C01	H5	180.0°	90.0°
N06	C05	C01	H6	60.0°	150.0°
N06	C05	C01	H7	60.0°	30.0°
N08	C07	N06	C11	180.0°	180.0°
N08	C07	C11	C12	8.1°	180.0°
N08	C07	C11	C20	171.7°	0.1°
N08	C07	N06	H8	180.0°	180.0°
N06	C07	C11	C12	171.9°	0.0°
N06	C07	C11	C20	8.2°	180.0°
C07	C11	C12	C20	179.9°	179.9°
C07	C11	C12	C14	179.8°	180.0°
C07	C11	C20	O21	0.2°	0.2°
C07	C11	C20	C18	179.8°	180.0°
C11	C07	N06	H8	0.0°	0.1°
C07	C11	C12	H9	0.3°	0.1°
C11	C12	C14	H9	180.0°	179.9°
C12	C11	C20	O21	179.9°	179.7°
C12	C11	C20	C18	0.1°	0.0°
C11	C12	C14	C16	0.1°	0.0°
C11	C12	C14	H10	179.9°	180.0°
C20	C11	C12	C14	0.1°	0.0°
C11	C20	O21	C18	180.0°	179.8°
C11	C20	O21	C22	168.1°	179.7°
C11	C20	C18	C16	0.0°	0.1°
C20	C11	C12	H9	179.9°	180.0°
C11	C20	C18	H12	180.0°	180.0°
C12	C14	C16	H10	180.0°	179.9°
C12	C14	C16	C18	0.0°	0.0°
C12	C14	C16	H11	180.0°	180.0°
C20	O21	C22	C25	71.5°	180.0°
O21	C20	C18	C16	180.0°	179.7°
C20	O21	C22	H1	48.6°	60.0°
C20	O21	C22	H2	168.4°	60.0°
O21	C20	C18	H12	0.0°	0.2°
C22	O21	C20	C18	11.9°	0.0°
O21	C22	C25	H1	120.1°	120.0°
O21	C22	C25	H2	120.1°	120.0°
O21	C22	C25	C34	49.1°	90.0°
O21	C22	C25	C26	131.5°	90.0°
O21	C22	H1	H2	119.7°	120.0°
C20	C18	C16	C14	0.0°	0.0°
C20	C18	C16	H12	180.0°	179.9°
C20	C18	C16	H11	180.0°	180.0°
C14	C16	C18	H11	180.0°	179.9°
C16	C14	C12	H9	179.9°	180.0°
C14	C16	C18	H12	180.0°	180.0°
C22	C25	C34	C26	179.5°	180.0°
C22	C25	C34	C32	179.6°	179.5°
C22	C25	C26	C28	179.5°	180.0°
C25	C22	H1	H2	119.7°	120.0°
C22	C25	C26	H3	0.5°	0.3°
C22	C25	C34	H15	0.4°	0.0°
C18	C16	C14	H10	180.0°	180.0°
C25	C34	C32	H15	180.0°	179.5°
C34	C25	C26	C28	0.0°	0.0°
C25	C34	C32	C30	0.0°	0.8°
C34	C25	C22	H1	169.2°	30.0°
C34	C25	C22	H2	71.0°	150.0°
C34	C25	C26	H3	180.0°	179.7°
C25	C34	C32	H14	180.0°	179.7°
C26	C25	C34	C32	0.1°	0.5°
C25	C26	C28	H3	180.0°	179.7°
C25	C26	C28	C30	0.1°	0.3°
C26	C25	C22	H1	11.4°	150.0°
C26	C25	C22	H2	108.5°	30.0°
C25	C26	C28	H4	179.9°	179.7°
C26	C25	C34	H15	179.9°	180.0°
C34	C32	C30	H14	180.0°	179.6°
C34	C32	C30	C28	0.1°	0.5°
C34	C32	C30	H13	179.9°	179.5°
C26	C28	C30	C32	0.2°	0.0°
C26	C28	C30	H4	180.0°	180.0°
C26	C28	C30	H13	179.8°	180.0°
C32	C30	C28	H13	180.0°	180.0°
C32	C30	C28	H4	179.8°	180.0°
C30	C32	C34	H15	180.0°	179.7°
C30	C28	C26	H3	179.9°	180.0°
C28	C30	C32	H14	179.9°	180.0°
H3	C26	C28	H4	0.1°	0.0°
H4	C28	C30	H13	0.2°	0.0°
H5	C01	H6	H7	120.0°	120.1°
H9	C12	C14	H10	0.1°	0.1°
H10	C14	C16	H11	0.0°	0.1°
H11	C16	C18	H12	0.0°	0.1°
H13	C30	C32	H14	0.1°	0.0°
H14	C32	C34	H15	0.0°	0.2°

Release date:	2021-03-24
Definition date:	2021-03-01
Last modified:	2021-03-19
Release status:	REL
Processing site:	PDBE
Derived from:	7NQ5