YN6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C20	doub	1.21Å	1.26Å
C2	C10	doub	1.36Å	1.35Å	Aromatic
C2	C3	sing	1.39Å	1.43Å	Aromatic
C3	C4	doub	1.36Å	1.41Å	Aromatic
C4	C8	sing	1.42Å	1.44Å	Aromatic
N5	C9	doub	1.32Å	1.39Å	Aromatic
N5	S6	sing	1.55Å	1.73Å	Aromatic
S6	N7	sing	1.56Å	1.74Å	Aromatic
N7	C8	doub	1.32Å	1.37Å	Aromatic
C8	C9	sing	1.46Å	1.52Å	Aromatic
C9	C10	sing	1.42Å	1.46Å	Aromatic
C10	O11	sing	1.36Å	1.38Å
O11	C12	sing	1.43Å	1.43Å
C12	C20	sing	1.51Å	1.60Å
N13	C15	sing	1.35Å	1.36Å
O14	C15	doub	1.21Å	1.25Å
C15	C16	sing	1.51Å	1.54Å
C16	N19	sing	1.47Å	1.50Å
C16	C17	sing	1.53Å	1.55Å
C17	C18	sing	1.53Å	1.58Å
C18	N19	sing	1.47Å	1.48Å
N19	C20	sing	1.35Å	1.45Å
C16	H28	sing	1.09Å	1.10Å
C17	H30	sing	1.09Å	1.10Å
C17	H29	sing	1.09Å	1.10Å
C18	H32	sing	1.09Å	1.10Å
C18	H31	sing	1.09Å	1.10Å
C2	H21	sing	1.08Å	1.08Å
C3	H22	sing	1.08Å	1.08Å
C4	H23	sing	1.08Å	1.08Å
C12	H25	sing	1.09Å	1.10Å
C12	H24	sing	1.09Å	1.10Å
N13	H26	sing	0.97Å	1.00Å
N13	H27	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C20	C12	123.0°	120.0°
O1	C20	N19	120.9°	120.0°
C10	C2	C3	120.0°	121.5°
C2	C10	C9	122.1°	119.8°
C2	C10	O11	130.6°	120.1°
C10	C2	H21	120.0°	119.2°
C2	C3	C4	122.9°	121.7°
C3	C2	H21	120.0°	119.3°
C2	C3	H22	118.5°	119.2°
C3	C4	C8	119.8°	120.0°
C4	C3	H22	118.6°	119.1°
C3	C4	H23	120.1°	120.0°
C4	C8	N7	130.9°	130.9°
C4	C8	C9	117.2°	118.5°
C8	C4	H23	120.1°	120.0°
C9	N5	S6	108.1°	109.5°
N5	C9	C8	114.0°	110.4°
N5	C9	C10	127.8°	131.1°
N5	S6	N7	96.6°	100.2°
S6	N7	C8	109.9°	109.4°
N7	C8	C9	111.4°	110.5°
C8	C9	C10	117.8°	118.5°
C9	C10	O11	107.2°	120.1°
C10	O11	C12	121.3°	117.0°
O11	C12	C20	104.3°	109.5°
O11	C12	H25	110.7°	109.4°
O11	C12	H24	110.7°	109.5°
C12	C20	N19	116.0°	120.0°
C20	C12	H25	110.8°	109.5°
C20	C12	H24	110.8°	109.5°
N13	C15	O14	120.6°	120.0°
N13	C15	C16	117.8°	120.0°
C15	N13	H26	120.0°	120.0°
C15	N13	H27	120.0°	120.0°
O14	C15	C16	121.5°	120.0°
C15	C16	N19	106.2°	113.5°
C15	C16	C17	114.6°	113.5°
C15	C16	H28	114.6°	112.7°
N19	C16	C17	88.7°	88.0°
C16	N19	C18	94.3°	87.8°
C16	N19	C20	122.6°	136.1°
N19	C16	H28	115.3°	113.5°
C16	C17	C18	88.8°	83.3°
C17	C16	H28	114.5°	113.5°
C16	C17	H30	114.4°	114.2°
C16	C17	H29	114.4°	114.2°
C17	C18	N19	88.1°	88.0°
C18	C17	H30	114.4°	114.3°
C18	C17	H29	114.4°	114.2°
C17	C18	H32	114.5°	113.4°
C17	C18	H31	114.5°	113.5°
C18	N19	C20	132.5°	136.1°
N19	C18	H32	114.5°	113.4°
N19	C18	H31	114.5°	113.4°
H30	C17	H29	109.5°	113.4°
H32	C18	H31	109.5°	112.8°
H25	C12	H24	109.5°	109.4°
H26	N13	H27	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C20	C12	O11	144.9°	0.0°
O1	C20	C12	N19	178.6°	179.9°
O1	C20	N19	C16	23.8°	0.1°
O1	C20	N19	C18	158.5°	180.0°
O1	C20	C12	H25	25.7°	120.0°
O1	C20	C12	H24	96.0°	120.0°
C10	C2	C3	H21	180.0°	180.0°
C10	C2	C3	C4	0.1°	0.0°
C2	C10	C9	N5	166.9°	179.8°
C2	C10	C9	C8	5.3°	0.5°
C2	C10	C9	O11	176.7°	179.7°
C2	C10	O11	C12	1.4°	0.0°
C10	C2	C3	H22	179.9°	180.0°
C2	C3	C4	H22	180.0°	180.0°
C2	C3	C4	C8	3.2°	0.0°
C3	C2	C10	C9	4.3°	0.3°
C3	C2	C10	O11	171.6°	180.0°
C2	C3	C4	H23	176.8°	179.9°
C3	C4	C8	H23	180.0°	179.9°
C3	C4	C8	N7	169.3°	180.0°
C3	C4	C8	C9	1.9°	0.3°
C4	C3	C2	H21	179.9°	180.0°
C4	C8	C9	N5	171.1°	180.0°
C4	C8	N7	S6	169.4°	179.9°
C4	C8	N7	C9	171.6°	179.7°
C4	C8	C9	C10	2.1°	0.5°
C8	C4	C3	H22	176.8°	180.0°
C9	N5	S6	N7	0.7°	0.1°
N5	C9	C8	N7	1.7°	0.2°
N5	C9	C8	C10	173.3°	179.5°
N5	C9	C10	O11	16.4°	0.4°
N5	S6	N7	C8	1.7°	0.3°
S6	N5	C9	C8	0.4°	0.1°
S6	N5	C9	C10	172.9°	179.4°
S6	N7	C8	C9	2.1°	0.3°
N7	C8	C9	C10	175.0°	179.7°
N7	C8	C4	H23	10.7°	0.1°
C8	C9	C10	O11	171.4°	179.8°
C9	C8	C4	H23	178.1°	179.8°
C9	C10	O11	C12	175.0°	179.7°
C9	C10	C2	H21	175.7°	179.7°
C10	O11	C12	C20	161.1°	180.0°
O11	C10	C2	H21	8.4°	0.0°
C10	O11	C12	H25	41.9°	60.0°
C10	O11	C12	H24	79.7°	59.9°
O11	C12	C20	H25	119.2°	120.0°
O11	C12	C20	H24	119.2°	120.0°
O11	C12	C20	N19	33.8°	180.0°
O11	C12	H25	H24	122.4°	120.0°
C12	C20	N19	C16	157.6°	180.0°
C12	C20	N19	C18	22.8°	0.0°
C20	C12	H25	H24	122.4°	120.0°
N13	C15	O14	C16	176.9°	180.0°
N13	C15	C16	N19	79.9°	180.0°
N13	C15	C16	C17	176.1°	81.6°
N13	C15	C16	H28	48.6°	49.2°
C15	N13	H26	H27	180.0°	180.0°
O14	C15	C16	N19	97.0°	0.0°
O14	C15	C16	C17	0.9°	98.5°
O14	C15	C16	H28	134.5°	130.7°
O14	C15	N13	H26	0.0°	0.0°
O14	C15	N13	H27	180.0°	180.0°
C15	C16	N19	C17	115.3°	114.8°
C15	C16	N19	H28	128.1°	130.3°
C15	C16	C17	H28	135.4°	130.4°
C15	C16	C17	C18	110.9°	140.9°
C15	C16	N19	C18	119.2°	141.9°
C15	C16	N19	C20	92.5°	38.0°
C15	C16	C17	H30	5.4°	27.2°
C15	C16	C17	H29	132.8°	105.5°
C16	C15	N13	H26	177.0°	180.0°
C16	C15	N13	H27	3.0°	0.0°
N19	C16	C17	H28	117.3°	114.8°
N19	C16	C17	C18	3.7°	26.1°
C16	N19	C18	C20	143.1°	179.9°
N19	C16	C17	H30	112.6°	87.5°
N19	C16	C17	H29	120.0°	139.7°
C16	N19	C18	H32	120.0°	141.9°
C16	N19	C18	H31	112.3°	87.7°
C16	C17	C18	H30	116.3°	113.6°
C16	C17	C18	H29	116.3°	113.6°
C17	C16	N19	C20	152.2°	152.8°
C16	C17	H30	H29	129.8°	133.2°
C16	C17	C18	H32	119.9°	140.8°
C16	C17	C18	H31	112.4°	88.7°
C17	C18	N19	H32	116.2°	114.7°
C17	C18	N19	H31	116.2°	114.9°
C17	C18	N19	C20	147.0°	152.8°
C18	C17	C16	H28	113.7°	88.7°
C18	C17	H30	H29	129.9°	133.2°
C17	C18	H32	H31	130.2°	130.9°
C18	N19	C16	H28	112.7°	87.8°
N19	C18	C17	H30	112.6°	87.5°
N19	C18	C17	H29	120.0°	139.7°
N19	C18	H32	H31	130.2°	130.7°
C20	N19	C16	H28	35.6°	92.3°
C20	N19	C18	H32	96.9°	38.1°
C20	N19	C18	H31	30.8°	92.3°
N19	C20	C12	H25	152.9°	60.1°
N19	C20	C12	H24	85.4°	59.9°
H28	C16	C17	H30	130.0°	157.7°
H28	C16	C17	H29	2.7°	24.9°
H30	C17	C18	H32	3.6°	27.2°
H30	C17	C18	H31	131.2°	157.7°
H29	C17	C18	H32	123.8°	105.6°
H29	C17	C18	H31	3.9°	24.9°
H21	C2	C3	H22	0.1°	0.0°
H22	C3	C4	H23	3.2°	0.1°

Release date:	2024-12-18
Definition date:	2023-06-19
Last modified:	2024-12-13
Release status:	REL
Processing site:	RCSB
Derived from:	7G3X