NC0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.40Å	1.42Å
C1	C3	doub	1.39Å	1.44Å	Aromatic
C1	C4	sing	1.40Å	1.40Å	Aromatic
N2	C5	sing	1.35Å	1.42Å
N2	C6	sing	1.47Å	1.42Å
C3	C7	sing	1.51Å	1.45Å
C6	C7	sing	1.54Å	1.38Å
C3	C8	sing	1.38Å	1.39Å	Aromatic
C4	C9	doub	1.38Å	1.39Å	Aromatic
C5	N10	sing	1.35Å	1.41Å
C5	O11	doub	1.22Å	1.25Å
C8	C12	doub	1.38Å	1.39Å	Aromatic
C9	C12	sing	1.38Å	1.40Å	Aromatic
N10	C13	sing	1.39Å	1.40Å
C13	C14	doub	1.40Å	1.42Å	Aromatic
C13	C15	sing	1.39Å	1.42Å	Aromatic
C14	C16	sing	1.40Å	1.40Å	Aromatic
C14	C17	sing	1.47Å	1.46Å
C15	C18	doub	1.38Å	1.39Å	Aromatic
C16	C19	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.40Å	Aromatic
C17	O20	sing	1.35Å	1.37Å
C17	O21	doub	1.21Å	1.24Å
C12	H28	sing	1.08Å	1.08Å
C15	H29	sing	1.08Å	1.08Å
C16	H30	sing	1.08Å	1.08Å
C18	H31	sing	1.08Å	1.08Å
C19	H32	sing	1.08Å	1.08Å
C4	H22	sing	1.08Å	1.08Å
C6	H23	sing	1.09Å	1.10Å
C6	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C7	H24	sing	1.09Å	1.10Å
C8	H25	sing	1.08Å	1.08Å
C9	H26	sing	1.08Å	1.08Å
N10	H27	sing	0.97Å	1.00Å
O20	H33	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	C3	107.8°	111.6°
N2	C1	C4	131.4°	129.4°
C1	N2	C5	125.1°	125.0°
C1	N2	C6	107.4°	110.1°
C3	C1	C4	120.8°	119.1°
C1	C3	C7	106.8°	108.5°
C1	C3	C8	119.8°	120.5°
C1	C4	C9	117.7°	120.3°
C1	C4	H22	121.2°	119.9°
C5	N2	C6	127.4°	124.9°
N2	C5	N10	118.2°	120.0°
N2	C5	O11	119.5°	120.0°
N2	C6	C7	110.4°	105.2°
N2	C6	H23	109.2°	110.3°
N2	C6	H1	109.2°	110.4°
C3	C7	C6	107.5°	104.6°
C7	C3	C8	133.4°	131.0°
C3	C7	H2	109.9°	110.4°
C3	C7	H24	109.9°	110.4°
C7	C6	H23	109.2°	110.3°
C7	C6	H1	109.3°	110.3°
C6	C7	H2	109.9°	110.4°
C6	C7	H24	110.0°	110.4°
C3	C8	C12	118.9°	120.2°
C3	C8	H25	120.5°	119.9°
C4	C9	C12	121.9°	120.2°
C9	C4	H22	121.2°	119.8°
C4	C9	H26	119.1°	119.9°
N10	C5	O11	122.4°	120.0°
C5	N10	C13	124.0°	120.0°
C5	N10	H27	118.0°	120.0°
C8	C12	C9	121.0°	119.8°
C8	C12	H28	119.5°	120.1°
C12	C8	H25	120.6°	119.9°
C9	C12	H28	119.5°	120.1°
C12	C9	H26	119.1°	119.9°
N10	C13	C14	120.0°	120.2°
N10	C13	C15	122.0°	120.2°
C13	N10	H27	118.0°	120.0°
C14	C13	C15	118.0°	119.6°
C13	C14	C16	119.8°	119.6°
C13	C14	C17	122.1°	120.2°
C13	C15	C18	120.8°	120.1°
C13	C15	H29	119.6°	119.9°
C16	C14	C17	118.1°	120.2°
C14	C16	C19	121.2°	119.9°
C14	C16	H30	119.4°	120.1°
C14	C17	O20	115.2°	120.0°
C14	C17	O21	130.0°	120.0°
C15	C18	C19	120.8°	120.4°
C18	C15	H29	119.6°	120.0°
C15	C18	H31	119.6°	119.8°
C16	C19	C18	119.4°	120.4°
C19	C16	H30	119.4°	120.1°
C16	C19	H32	120.3°	119.8°
C19	C18	H31	119.6°	119.8°
C18	C19	H32	120.3°	119.9°
O20	C17	O21	114.8°	120.0°
C17	O20	H33	109.5°	117.0°
H23	C6	H1	109.5°	110.3°
H2	C7	H24	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	C3	C4	179.9°	179.8°
C1	N2	C5	C6	179.3°	180.0°
N2	C1	C3	C7	0.0°	0.0°
C1	N2	C6	C7	0.3°	0.0°
N2	C1	C3	C8	179.9°	180.0°
N2	C1	C4	C9	180.0°	179.9°
C1	N2	C5	N10	0.1°	175.0°
C1	N2	C5	O11	179.8°	5.0°
N2	C1	C4	H22	0.0°	0.0°
C1	N2	C6	H23	119.8°	118.9°
C1	N2	C6	H1	120.5°	118.9°
C3	C1	N2	C5	179.3°	180.0°
C3	C1	N2	C6	0.2°	0.0°
C1	C3	C7	C8	179.9°	180.0°
C1	C3	C7	C6	0.2°	0.0°
C3	C1	C4	C9	0.2°	0.2°
C1	C3	C8	C12	0.1°	0.0°
C3	C1	C4	H22	179.8°	179.7°
C1	C3	C7	H2	119.5°	118.8°
C1	C3	C7	H24	119.9°	118.8°
C1	C3	C8	H25	180.0°	180.0°
C4	C1	N2	C5	0.9°	0.2°
C4	C1	N2	C6	179.7°	179.8°
C4	C1	C3	C7	179.9°	179.8°
C4	C1	C3	C8	0.2°	0.2°
C1	C4	C9	H22	180.0°	179.9°
C1	C4	C9	C12	0.1°	0.1°
C1	C4	C9	H26	179.9°	180.0°
C5	N2	C6	C7	179.1°	180.0°
N2	C5	N10	O11	179.9°	180.0°
N2	C5	N10	C13	168.8°	174.3°
C5	N2	C6	H23	60.8°	61.1°
C5	N2	C6	H1	59.0°	61.0°
N2	C5	N10	H27	11.2°	5.7°
N2	C6	C7	C3	0.3°	0.0°
N2	C6	C7	H23	120.1°	118.9°
N2	C6	C7	H1	120.1°	119.1°
C6	N2	C5	N10	179.5°	5.0°
C6	N2	C5	O11	0.4°	175.0°
N2	C6	H23	H1	119.6°	122.2°
N2	C6	C7	H2	119.3°	118.8°
N2	C6	C7	H24	120.0°	118.8°
C3	C7	C6	H2	119.7°	118.8°
C3	C7	C6	H24	119.7°	118.8°
C7	C3	C8	C12	179.9°	180.0°
C3	C7	C6	H23	119.8°	118.9°
C3	C7	C6	H1	120.5°	119.0°
C3	C7	H2	H24	120.9°	122.4°
C7	C3	C8	H25	0.1°	0.0°
C6	C7	C3	C8	179.9°	180.0°
C7	C6	H23	H1	119.6°	122.1°
C6	C7	H2	H24	120.9°	122.4°
C3	C8	C12	H25	180.0°	180.0°
C3	C8	C12	C9	0.1°	0.2°
C3	C8	C12	H28	179.9°	180.0°
C8	C3	C7	H2	60.4°	61.2°
C8	C3	C7	H24	60.2°	61.1°
C4	C9	C12	C8	0.0°	0.3°
C4	C9	C12	H26	180.0°	180.0°
C4	C9	C12	H28	180.0°	180.0°
C5	N10	C13	H27	180.0°	179.9°
C5	N10	C13	C14	130.8°	154.5°
C5	N10	C13	C15	49.5°	25.2°
O11	C5	N10	C13	11.1°	5.7°
O11	C5	N10	H27	168.9°	174.3°
C8	C12	C9	H28	180.0°	179.7°
C8	C12	C9	H26	180.0°	179.8°
C12	C9	C4	H22	179.9°	180.0°
C9	C12	C8	H25	179.9°	179.7°
N10	C13	C14	C15	179.7°	179.7°
N10	C13	C14	C16	179.9°	179.7°
N10	C13	C14	C17	0.3°	0.3°
N10	C13	C15	C18	179.8°	179.7°
N10	C13	C15	H29	0.2°	0.3°
C13	C14	C16	C17	179.8°	179.9°
C14	C13	C15	C18	0.1°	0.0°
C13	C14	C16	C19	0.1°	0.0°
C13	C14	C17	O20	167.0°	174.7°
C13	C14	C17	O21	12.9°	5.4°
C14	C13	C15	H29	179.9°	180.0°
C13	C14	C16	H30	179.9°	180.0°
C14	C13	N10	H27	49.2°	25.6°
C15	C13	C14	C16	0.2°	0.0°
C15	C13	C14	C17	180.0°	180.0°
C13	C15	C18	H29	180.0°	180.0°
C13	C15	C18	C19	0.0°	0.0°
C13	C15	C18	H31	179.9°	180.0°
C15	C13	N10	H27	130.5°	154.7°
C14	C16	C19	H30	180.0°	180.0°
C14	C16	C19	C18	0.0°	0.0°
C16	C14	C17	O20	12.8°	5.2°
C16	C14	C17	O21	167.2°	174.7°
C14	C16	C19	H32	180.0°	179.9°
C17	C14	C16	C19	179.9°	179.9°
C14	C17	O20	O21	180.0°	179.9°
C17	C14	C16	H30	0.1°	0.0°
C14	C17	O20	H33	180.0°	180.0°
C15	C18	C19	C16	0.0°	0.0°
C15	C18	C19	H31	180.0°	180.0°
C15	C18	C19	H32	180.0°	179.9°
C16	C19	C18	H32	180.0°	179.9°
C16	C19	C18	H31	180.0°	180.0°
C19	C18	C15	H29	180.0°	180.0°
C18	C19	C16	H30	180.0°	180.0°
O21	C17	O20	H33	0.0°	0.1°
H28	C12	C8	H25	0.1°	0.0°
H28	C12	C9	H26	0.0°	0.0°
H29	C15	C18	H31	0.0°	0.0°
H30	C16	C19	H32	0.0°	0.1°
H31	C18	C19	H32	0.0°	0.0°
H22	C4	C9	H26	0.1°	0.1°
H23	C6	C7	H2	120.5°	0.1°
H23	C6	C7	H24	0.1°	122.3°
H1	C6	C7	H2	0.8°	122.1°
H1	C6	C7	H24	119.8°	0.2°

Release date:	2023-06-14
Definition date:	2023-05-05
Last modified:	2023-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	7FWI