TZ7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C15	sing	1.43Å	1.41Å
C14	C15	sing	1.53Å	1.53Å
C14	C13	sing	1.53Å	1.53Å
C15	C17	sing	1.53Å	1.54Å
C13	C12	sing	1.53Å	1.55Å
C17	C18	sing	1.53Å	1.53Å
C12	C18	sing	1.53Å	1.54Å
C12	S11	sing	1.81Å	1.78Å
C1	C2	sing	1.51Å	1.50Å
C10	S11	sing	1.81Å	1.80Å
C10	C9	sing	1.51Å	1.53Å
N8	C9	doub	1.30Å	1.35Å
N8	C7	sing	1.36Å	1.36Å
C9	N19	sing	1.36Å	1.38Å
C2	C7	doub	1.40Å	1.41Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
C7	C6	sing	1.41Å	1.43Å	Aromatic
C3	C4	doub	1.39Å	1.41Å	Aromatic
N19	C20	sing	1.35Å	1.35Å
C6	C20	sing	1.47Å	1.50Å
C6	C5	doub	1.39Å	1.40Å	Aromatic
C20	O21	doub	1.22Å	1.20Å
C4	C5	sing	1.38Å	1.39Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
O16	H17	sing	0.97Å	0.95Å
C18	H18	sing	1.09Å	1.10Å
C18	H19	sing	1.09Å	1.10Å
N19	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O16	C15	C14	109.9°	109.5°
O16	C15	C17	111.0°	109.5°
O16	C15	H7	109.4°	109.5°
C15	O16	H17	109.5°	114.1°
C15	C14	C13	106.1°	109.5°
C14	C15	C17	111.1°	109.4°
C14	C15	H7	107.7°	109.5°
C15	C14	H15	110.3°	109.4°
C15	C14	H16	110.3°	109.5°
C14	C13	C12	106.5°	109.5°
C14	C13	H5	110.2°	109.5°
C14	C13	H6	110.2°	109.5°
C13	C14	H15	110.3°	109.5°
C13	C14	H16	110.3°	109.5°
C15	C17	C18	106.7°	109.5°
C17	C15	H7	107.7°	109.5°
C15	C17	H8	110.2°	109.4°
C15	C17	H9	110.2°	109.5°
C13	C12	C18	112.4°	109.5°
C13	C12	S11	110.7°	109.5°
C12	C13	H5	110.2°	109.5°
C12	C13	H6	110.2°	109.5°
C13	C12	H14	109.6°	109.5°
C17	C18	C12	106.4°	109.4°
C18	C17	H8	110.2°	109.4°
C18	C17	H9	110.2°	109.5°
C17	C18	H18	110.2°	109.5°
C17	C18	H19	110.2°	109.5°
C18	C12	S11	107.3°	109.4°
C18	C12	H14	109.7°	109.5°
C12	C18	H18	110.3°	109.5°
C12	C18	H19	110.3°	109.5°
C12	S11	C10	103.0°	103.0°
S11	C12	H14	106.9°	109.5°
C1	C2	C7	119.1°	120.1°
C1	C2	C3	122.0°	120.2°
C2	C1	H10	109.5°	109.5°
C2	C1	H11	109.5°	109.4°
C2	C1	H12	109.5°	109.5°
S11	C10	C9	104.6°	109.4°
S11	C10	H3	110.7°	109.5°
S11	C10	H4	110.7°	109.5°
C10	C9	N8	118.6°	118.4°
C10	C9	N19	119.3°	118.3°
C9	C10	H3	110.7°	109.5°
C9	C10	H4	110.7°	109.4°
C9	N8	C7	121.8°	121.6°
N8	C9	N19	122.1°	123.3°
N8	C7	C2	120.8°	121.6°
N8	C7	C6	119.4°	119.0°
C9	N19	C20	121.0°	120.6°
C9	N19	H20	119.5°	119.6°
C7	C2	C3	118.9°	119.7°
C2	C7	C6	119.8°	119.4°
C2	C3	C4	121.3°	120.8°
C2	C3	H13	119.3°	119.6°
C7	C6	C20	117.2°	118.0°
C7	C6	C5	119.8°	120.0°
C3	C4	C5	119.7°	120.5°
C3	C4	H1	120.1°	119.7°
C4	C3	H13	119.3°	119.6°
N19	C20	C6	118.0°	117.4°
N19	C20	O21	120.0°	121.3°
C20	N19	H20	119.5°	119.7°
C20	C6	C5	123.0°	122.0°
C6	C20	O21	121.5°	121.3°
C6	C5	C4	120.4°	119.6°
C6	C5	H2	119.8°	120.2°
C5	C4	H1	120.2°	119.7°
C4	C5	H2	119.8°	120.2°
H3	C10	H4	109.4°	109.6°
H5	C13	H6	109.5°	109.4°
H8	C17	H9	109.5°	109.5°
H10	C1	H11	109.5°	109.4°
H10	C1	H12	109.5°	109.5°
H11	C1	H12	109.5°	109.5°
H15	C14	H16	109.5°	109.4°
H18	C18	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C15	C14	C17	123.2°	120.0°
O16	C15	C14	H7	119.1°	120.0°
O16	C15	C14	C13	170.9°	180.0°
O16	C15	C17	H7	119.7°	120.1°
O16	C15	C17	C18	171.7°	180.0°
O16	C15	C17	H8	52.1°	60.1°
O16	C15	C17	H9	68.7°	60.0°
O16	C15	C14	H15	69.7°	60.0°
O16	C15	C14	H16	51.3°	60.0°
C15	C14	C13	H15	119.5°	120.0°
C15	C14	C13	H16	119.5°	120.0°
C14	C15	C17	H7	117.7°	120.0°
C15	C14	C13	C12	61.0°	60.0°
C14	C15	C17	C18	65.7°	60.0°
C15	C14	C13	H5	179.4°	60.0°
C15	C14	C13	H6	58.5°	180.0°
C14	C15	C17	H8	174.7°	180.0°
C14	C15	C17	H9	53.9°	60.0°
C15	C14	H15	H16	121.5°	119.9°
C14	C15	O16	H17	180.0°	60.1°
C13	C14	C15	C17	66.0°	60.0°
C14	C13	C12	H5	119.5°	120.0°
C14	C13	C12	H6	119.5°	120.0°
C14	C13	C12	C18	62.8°	60.0°
C14	C13	C12	S11	177.1°	180.0°
C14	C13	H5	H6	121.4°	120.1°
C13	C14	C15	H7	51.8°	59.9°
C14	C13	C12	H14	59.4°	60.0°
C13	C14	H15	H16	121.6°	120.0°
C15	C17	C18	H8	119.6°	119.9°
C15	C17	C18	H9	119.6°	120.0°
C15	C17	C18	C12	60.3°	60.0°
C15	C17	H8	H9	121.3°	120.0°
C17	C15	C14	H15	53.5°	180.0°
C17	C15	C14	H16	174.5°	60.0°
C17	C15	O16	H17	56.8°	180.0°
C15	C17	C18	H18	59.3°	60.0°
C15	C17	C18	H19	179.8°	180.0°
C13	C12	C18	C17	62.2°	60.0°
C13	C12	C18	S11	122.0°	120.0°
C13	C12	C18	H14	122.2°	120.0°
C13	C12	S11	H14	119.3°	120.0°
C13	C12	S11	C10	61.9°	175.0°
C12	C13	H5	H6	121.4°	119.9°
C12	C13	C14	H15	58.5°	180.0°
C12	C13	C14	H16	179.5°	60.0°
C13	C12	C18	H18	57.3°	60.0°
C13	C12	C18	H19	178.3°	180.0°
C17	C18	C12	H18	119.5°	120.0°
C17	C18	C12	H19	119.5°	120.0°
C17	C18	C12	S11	175.8°	180.0°
C18	C17	C15	H7	52.0°	60.0°
C18	C17	H8	H9	121.3°	120.0°
C17	C18	C12	H14	60.0°	60.0°
C17	C18	H18	H19	121.4°	120.0°
C18	C12	S11	H14	117.6°	120.0°
C18	C12	S11	C10	175.0°	65.0°
C18	C12	C13	H5	177.6°	60.0°
C18	C12	C13	H6	56.7°	179.9°
C12	C18	C17	H8	179.8°	180.0°
C12	C18	C17	H9	59.3°	60.0°
C12	C18	H18	H19	121.5°	120.0°
C12	S11	C10	C9	162.8°	180.0°
C12	S11	C10	H3	43.6°	60.0°
C12	S11	C10	H4	77.9°	60.1°
S11	C12	C13	H5	57.6°	59.9°
S11	C12	C13	H6	63.3°	60.0°
S11	C12	C18	H18	64.7°	60.0°
S11	C12	C18	H19	56.3°	60.0°
C1	C2	C7	N8	0.5°	0.1°
C1	C2	C7	C3	179.7°	179.7°
C1	C2	C7	C6	178.5°	180.0°
C1	C2	C3	C4	178.4°	179.7°
C2	C1	H10	H11	120.0°	119.9°
C2	C1	H10	H12	120.0°	120.1°
C2	C1	H11	H12	120.0°	120.0°
C1	C2	C3	H13	1.6°	0.0°
S11	C10	C9	H3	119.2°	120.0°
S11	C10	C9	H4	119.2°	120.0°
S11	C10	C9	N8	84.0°	0.0°
S11	C10	C9	N19	95.3°	180.0°
S11	C10	H3	H4	122.3°	120.1°
C10	S11	C12	H14	57.4°	55.0°
C10	C9	N8	N19	179.3°	180.0°
C10	C9	N8	C7	178.1°	180.0°
C10	C9	N19	C20	175.9°	180.0°
C9	C10	H3	H4	122.3°	120.0°
C10	C9	N19	H20	4.1°	0.0°
C9	N8	C7	C2	174.5°	180.0°
C9	N8	C7	C6	3.5°	0.1°
N8	C9	N19	C20	4.8°	0.0°
N8	C9	C10	H3	156.8°	120.0°
N8	C9	C10	H4	35.3°	120.0°
N8	C9	N19	H20	175.2°	180.0°
C7	N8	C9	N19	1.2°	0.0°
N8	C7	C2	C6	178.0°	179.9°
N8	C7	C2	C3	179.2°	179.8°
N8	C7	C6	C20	0.3°	0.1°
N8	C7	C6	C5	179.9°	180.0°
C9	N19	C20	H20	180.0°	180.0°
C9	N19	C20	C6	7.8°	0.0°
C9	N19	C20	O21	179.8°	180.0°
N19	C9	C10	H3	23.9°	60.0°
N19	C9	C10	H4	145.4°	60.0°
C7	C2	C3	C4	1.3°	0.6°
C2	C7	C6	C20	177.7°	180.0°
C2	C7	C6	C5	1.8°	0.1°
C7	C2	C1	H10	89.9°	90.0°
C7	C2	C1	H11	150.1°	150.1°
C7	C2	C1	H12	30.1°	30.1°
C7	C2	C3	H13	178.7°	179.7°
C3	C2	C7	C6	1.2°	0.3°
C2	C3	C4	H13	180.0°	179.8°
C2	C3	C4	C5	2.0°	0.6°
C2	C3	C4	H1	178.0°	179.8°
C3	C2	C1	H10	89.8°	89.7°
C3	C2	C1	H11	30.2°	30.2°
C3	C2	C1	H12	150.2°	150.2°
C7	C6	C20	N19	5.3°	0.0°
C7	C6	C20	C5	179.6°	179.9°
C7	C6	C20	O21	177.5°	180.0°
C7	C6	C5	C4	2.6°	0.1°
C7	C6	C5	H2	177.4°	180.0°
C3	C4	C5	C6	2.6°	0.3°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	H2	177.3°	179.8°
N19	C20	C6	O21	172.3°	180.0°
N19	C20	C6	C5	174.3°	180.0°
C20	C6	C5	C4	177.0°	180.0°
C20	C6	C5	H2	3.0°	0.1°
C6	C20	N19	H20	172.2°	180.0°
C5	C6	C20	O21	2.0°	0.1°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	H1	177.4°	180.0°
O21	C20	N19	H20	0.1°	0.0°
C5	C4	C3	H13	178.0°	179.7°
H1	C4	C5	H2	2.7°	0.1°
H1	C4	C3	H13	2.0°	0.0°
H5	C13	C12	H14	60.1°	180.0°
H5	C13	C14	H15	61.1°	60.0°
H5	C13	C14	H16	60.0°	180.0°
H6	C13	C12	H14	179.0°	60.0°
H6	C13	C14	H15	178.0°	60.0°
H6	C13	C14	H16	61.0°	60.0°
H7	C15	C17	H8	67.6°	60.0°
H7	C15	C17	H9	171.6°	180.0°
H7	C15	C14	H15	171.2°	60.1°
H7	C15	C14	H16	67.7°	180.0°
H7	C15	O16	H17	61.9°	60.0°
H8	C17	C18	H18	60.3°	60.0°
H8	C17	C18	H19	60.6°	60.0°
H9	C17	C18	H18	178.8°	180.0°
H9	C17	C18	H19	60.2°	60.0°
H10	C1	H11	H12	120.0°	120.0°
H14	C12	C18	H18	179.5°	180.0°
H14	C12	C18	H19	59.5°	60.0°

Release date:	2021-03-24
Definition date:	2020-04-02
Last modified:	2021-03-19
Release status:	REL
Processing site:	RCSB
Derived from:	6WE3