S6V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	1.55Å	1.53Å
C11	C12	sing	1.55Å	1.50Å
C10	N3	sing	1.47Å	1.43Å
N3	C9	sing	1.46Å	1.45Å
N3	C13	sing	1.34Å	1.34Å
C12	C13	sing	1.51Å	1.51Å
O1	C7	doub	1.22Å	1.25Å
C9	C8	sing	1.53Å	1.53Å
C8	N2	sing	1.46Å	1.46Å
C13	O2	doub	1.21Å	1.23Å
C7	N2	sing	1.35Å	1.35Å
C7	N1	sing	1.35Å	1.38Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C6	C1	sing	1.38Å	1.37Å	Aromatic
N1	C4	sing	1.40Å	1.43Å
C4	C3	doub	1.39Å	1.39Å	Aromatic
C1	C2	doub	1.38Å	1.37Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.08Å	1.08Å
C3	H14	sing	1.08Å	1.08Å
C9	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
N2	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	105.7°	101.8°
C11	C10	N3	104.6°	105.5°
C11	C10	H6	110.7°	110.3°
C11	C10	H7	110.7°	110.3°
C10	C11	H9	110.4°	111.0°
C10	C11	H10	110.4°	110.9°
C11	C12	C13	105.7°	104.2°
C12	C11	H9	110.4°	111.1°
C12	C11	H10	110.4°	110.9°
C11	C12	H11	110.4°	110.5°
C11	C12	H12	110.4°	110.4°
C10	N3	C9	121.4°	124.4°
C10	N3	C13	114.3°	111.3°
N3	C10	H6	110.7°	110.2°
N3	C10	H7	110.6°	110.2°
C9	N3	C13	124.3°	124.4°
N3	C9	C8	113.4°	109.5°
N3	C9	H15	108.5°	109.4°
N3	C9	H16	108.5°	109.4°
N3	C13	C12	108.3°	110.2°
N3	C13	O2	125.3°	124.9°
C12	C13	O2	126.4°	124.9°
C13	C12	H11	110.4°	110.5°
C13	C12	H12	110.4°	110.5°
O1	C7	N2	122.2°	120.0°
O1	C7	N1	124.3°	120.0°
C9	C8	N2	114.3°	109.5°
C9	C8	H4	108.2°	109.4°
C9	C8	H5	108.2°	109.5°
C8	C9	H15	108.5°	109.5°
C8	C9	H16	108.5°	109.5°
C8	N2	C7	122.3°	120.0°
N2	C8	H4	108.3°	109.5°
N2	C8	H5	108.3°	109.5°
C8	N2	H17	118.9°	119.9°
N2	C7	N1	113.5°	120.0°
C7	N2	H17	118.8°	120.0°
C7	N1	C4	128.6°	120.0°
C7	N1	H1	115.7°	119.9°
C6	C5	C4	119.5°	119.9°
C5	C6	C1	121.1°	120.1°
C6	C5	H2	120.2°	120.1°
C5	C6	H3	119.5°	120.0°
C5	C4	N1	121.9°	120.1°
C5	C4	C3	119.0°	119.9°
C4	C5	H2	120.3°	120.0°
C6	C1	C2	119.9°	120.2°
C1	C6	H3	119.4°	120.0°
C6	C1	H8	120.1°	119.9°
N1	C4	C3	119.0°	120.1°
C4	N1	H1	115.7°	120.0°
C4	C3	C2	120.5°	119.9°
C4	C3	H14	119.7°	120.1°
C1	C2	C3	120.0°	120.0°
C2	C1	H8	120.1°	119.9°
C1	C2	H13	120.0°	120.0°
C3	C2	H13	120.0°	120.0°
C2	C3	H14	119.7°	120.0°
H4	C8	H5	109.5°	109.5°
H6	C10	H7	109.5°	110.2°
H9	C11	H10	109.4°	110.9°
H11	C12	H12	109.5°	110.5°
H15	C9	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H9	119.4°	118.2°
C10	C11	C12	H10	119.4°	118.0°
C11	C10	N3	H6	119.2°	119.0°
C11	C10	N3	H7	119.2°	119.1°
C11	C10	N3	C9	168.9°	163.0°
C11	C10	N3	C13	9.8°	16.7°
C10	C11	C12	C13	9.4°	24.8°
C11	C10	H6	H7	122.3°	122.0°
C10	C11	H9	H10	121.8°	123.7°
C10	C11	C12	H11	110.0°	143.5°
C10	C11	C12	H12	128.8°	93.9°
C12	C11	C10	N3	11.4°	25.3°
C11	C12	C13	N3	3.9°	16.4°
C11	C12	C13	H11	119.4°	118.7°
C11	C12	C13	H12	119.4°	118.6°
C11	C12	C13	O2	175.1°	163.6°
C12	C11	C10	H6	130.6°	93.7°
C12	C11	C10	H7	107.8°	144.3°
C12	C11	H9	H10	121.7°	123.8°
C11	C12	H11	H12	121.7°	122.5°
C10	N3	C9	C13	178.5°	179.7°
C10	N3	C13	C12	3.9°	0.2°
C10	N3	C9	C8	76.2°	89.7°
C10	N3	C13	O2	177.1°	179.9°
N3	C10	H6	H7	122.2°	121.9°
N3	C10	C11	H9	130.8°	143.6°
N3	C10	C11	H10	108.0°	92.7°
C10	N3	C9	H15	163.2°	30.3°
C10	N3	C9	H16	44.4°	150.3°
C9	N3	C13	C12	174.8°	179.6°
N3	C9	C8	H15	120.6°	120.0°
N3	C9	C8	H16	120.6°	120.0°
N3	C9	C8	N2	63.4°	NaN°
C9	N3	C13	O2	4.2°	0.4°
N3	C9	C8	H4	175.8°	60.0°
N3	C9	C8	H5	57.3°	60.0°
C9	N3	C10	H6	49.7°	78.0°
C9	N3	C10	H7	71.8°	43.9°
N3	C9	H15	H16	118.2°	120.0°
N3	C13	C12	O2	179.0°	180.0°
C13	N3	C9	C8	105.3°	90.0°
C13	N3	C10	H6	129.0°	102.3°
C13	N3	C10	H7	109.5°	135.8°
N3	C13	C12	H11	115.5°	135.1°
N3	C13	C12	H12	123.3°	102.2°
C13	N3	C9	H15	15.3°	150.0°
C13	N3	C9	H16	134.1°	30.0°
C13	C12	C11	H9	128.8°	143.0°
C13	C12	C11	H10	110.0°	93.3°
C13	C12	H11	H12	121.8°	122.7°
O1	C7	N2	C8	3.5°	0.1°
O1	C7	N2	N1	177.4°	179.9°
O1	C7	N1	C4	3.5°	5.3°
O1	C7	N1	H1	176.5°	174.5°
O1	C7	N2	H17	176.5°	180.0°
C9	C8	N2	H4	120.7°	120.0°
C9	C8	N2	H5	120.7°	120.0°
C9	C8	N2	C7	102.2°	179.9°
C9	C8	H4	H5	117.8°	120.0°
C8	C9	H15	H16	118.2°	120.0°
C9	C8	N2	H17	77.8°	0.0°
C8	N2	C7	H17	180.0°	179.9°
C8	N2	C7	N1	173.8°	180.0°
N2	C8	H4	H5	117.8°	120.0°
N2	C8	C9	H15	57.1°	60.0°
N2	C8	C9	H16	176.0°	60.0°
O2	C13	C12	H11	65.5°	44.9°
O2	C13	C12	H12	55.7°	77.8°
N2	C7	N1	C4	179.2°	174.6°
N2	C7	N1	H1	0.8°	5.6°
C7	N2	C8	H4	137.1°	60.0°
C7	N2	C8	H5	18.5°	60.0°
C7	N1	C4	C5	19.2°	146.5°
C7	N1	C4	H1	180.0°	179.8°
C7	N1	C4	C3	161.6°	33.2°
N1	C7	N2	H17	6.2°	0.1°
C6	C5	C4	H2	180.0°	180.0°
C5	C6	C1	H3	180.0°	180.0°
C6	C5	C4	N1	178.0°	180.0°
C6	C5	C4	C3	1.2°	0.3°
C5	C6	C1	C2	1.3°	0.0°
C5	C6	C1	H8	178.7°	180.0°
C4	C5	C6	C1	2.1°	0.0°
C5	C4	N1	C3	179.2°	179.7°
C5	C4	C3	C2	0.6°	0.6°
C5	C4	N1	H1	160.8°	33.3°
C4	C5	C6	H3	177.9°	180.0°
C5	C4	C3	H14	179.5°	179.7°
C6	C1	C2	H8	180.0°	179.9°
C6	C1	C2	C3	0.5°	0.3°
C1	C6	C5	H2	177.9°	180.0°
C6	C1	C2	H13	179.5°	180.0°
N1	C4	C3	C2	179.7°	179.8°
N1	C4	C5	H2	2.0°	0.0°
N1	C4	C3	H14	0.3°	0.0°
C4	C3	C2	C1	1.4°	0.6°
C4	C3	C2	H14	180.0°	179.7°
C3	C4	N1	H1	18.4°	147.0°
C3	C4	C5	H2	178.8°	179.7°
C4	C3	C2	H13	178.6°	179.7°
C1	C2	C3	H13	180.0°	179.7°
C2	C1	C6	H3	178.7°	180.0°
C1	C2	C3	H14	178.6°	179.7°
C3	C2	C1	H8	179.5°	179.8°
H2	C5	C6	H3	2.1°	0.0°
H3	C6	C1	H8	1.3°	0.1°
H4	C8	C9	H15	63.6°	180.0°
H4	C8	C9	H16	55.2°	60.0°
H4	C8	N2	H17	42.9°	119.9°
H5	C8	C9	H15	177.9°	60.0°
H5	C8	C9	H16	63.3°	180.0°
H5	C8	N2	H17	161.5°	120.1°
H6	C10	C11	H9	110.0°	24.6°
H6	C10	C11	H10	11.2°	148.3°
H7	C10	C11	H9	11.6°	97.4°
H7	C10	C11	H10	132.8°	26.3°
H8	C1	C2	H13	0.5°	0.0°
H9	C11	C12	H11	9.4°	98.3°
H9	C11	C12	H12	111.8°	24.2°
H10	C11	C12	H11	130.5°	25.5°
H10	C11	C12	H12	9.4°	148.0°
H13	C2	C3	H14	1.4°	0.0°

Release date:	2020-04-15
Definition date:	2020-03-04
Last modified:	2020-04-10
Release status:	REL
Processing site:	RCSB
Derived from:	5R67