T9D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	N25	sing	1.47Å	1.47Å
C24	C23	sing	1.53Å	1.54Å
N25	C26	sing	1.47Å	1.47Å
C23	C22	sing	1.53Å	1.53Å
F4	C2	sing	1.40Å	1.32Å
C26	C27	sing	1.53Å	1.54Å
C22	C27	sing	1.53Å	1.54Å
C22	O21	sing	1.43Å	1.43Å
C16	C15	doub	1.35Å	1.38Å	Aromatic
C16	C17	sing	1.40Å	1.41Å	Aromatic
C15	C14	sing	1.41Å	1.39Å	Aromatic
F3	C2	sing	1.40Å	1.37Å
O21	C17	sing	1.36Å	1.38Å
C17	C18	doub	1.36Å	1.40Å	Aromatic
F1	C2	sing	1.40Å	1.31Å
C2	C5	sing	1.51Å	1.56Å
C14	C13	doub	1.38Å	1.49Å	Aromatic
C14	C19	sing	1.48Å	1.39Å	Aromatic
C13	N12	sing	1.36Å	1.50Å	Aromatic
C18	C19	sing	1.41Å	1.40Å	Aromatic
C19	C20	doub	1.37Å	1.53Å	Aromatic
N12	C20	sing	1.36Å	1.46Å	Aromatic
N12	C6	sing	1.39Å	1.37Å
C5	C6	doub	1.38Å	1.40Å
C5	C10	sing	1.41Å	1.41Å
C6	C7	sing	1.41Å	1.44Å
O11	C10	doub	1.22Å	1.23Å
C10	N9	sing	1.35Å	1.35Å
C7	N8	doub	1.30Å	1.28Å
N9	N8	sing	1.28Å	1.40Å
C7	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.09Å	1.10Å
C24	H6	sing	1.09Å	1.10Å
C24	H7	sing	1.09Å	1.10Å
C26	H8	sing	1.09Å	1.10Å
C26	H9	sing	1.09Å	1.10Å
N9	H10	sing	0.97Å	1.00Å
C16	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.08Å	1.08Å
C23	H13	sing	1.09Å	1.10Å
C23	H14	sing	1.09Å	1.10Å
N25	H15	sing	1.01Å	1.00Å
C27	H17	sing	1.09Å	1.10Å
C27	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N25	C24	C23	110.3°	109.5°
C24	N25	C26	113.2°	111.2°
N25	C24	H6	109.3°	109.4°
N25	C24	H7	109.3°	109.4°
C24	N25	H15	108.5°	111.0°
C24	C23	C22	109.9°	109.3°
C23	C24	H6	109.3°	109.5°
C23	C24	H7	109.2°	109.5°
C24	C23	H13	109.4°	109.5°
C24	C23	H14	109.4°	109.5°
N25	C26	C27	111.1°	109.5°
N25	C26	H8	109.1°	109.4°
N25	C26	H9	109.1°	109.4°
C26	N25	H15	108.6°	111.0°
C23	C22	C27	108.0°	109.2°
C23	C22	O21	112.1°	109.5°
C23	C22	H5	109.7°	109.6°
C22	C23	H13	109.4°	109.5°
C22	C23	H14	109.4°	109.5°
F4	C2	F3	105.3°	109.5°
F4	C2	F1	109.1°	109.4°
F4	C2	C5	105.2°	109.5°
C26	C27	C22	111.0°	109.3°
C27	C26	H8	109.1°	109.5°
C27	C26	H9	109.0°	109.5°
C26	C27	H17	109.1°	109.5°
C26	C27	H18	109.1°	109.5°
C27	C22	O21	105.9°	109.5°
C27	C22	H5	109.7°	109.6°
C22	C27	H17	109.1°	109.5°
C22	C27	H18	109.1°	109.5°
C22	O21	C17	130.6°	117.0°
O21	C22	H5	111.3°	109.5°
C15	C16	C17	119.9°	121.8°
C16	C15	C14	120.5°	119.6°
C16	C15	H3	119.7°	120.2°
C15	C16	H11	120.1°	119.1°
C16	C17	O21	118.2°	119.1°
C16	C17	C18	119.0°	121.8°
C17	C16	H11	120.1°	119.1°
C15	C14	C13	130.9°	135.2°
C15	C14	C19	120.9°	118.7°
C14	C15	H3	119.8°	120.2°
F3	C2	F1	109.0°	109.5°
F3	C2	C5	109.5°	109.5°
O21	C17	C18	122.6°	119.1°
C17	C18	C19	121.0°	119.5°
C17	C18	H12	119.5°	120.3°
F1	C2	C5	118.0°	109.5°
C2	C5	C6	127.7°	121.2°
C2	C5	C10	118.3°	121.2°
C13	C14	C19	108.2°	106.1°
C14	C13	N12	109.0°	108.6°
C14	C13	H2	125.5°	125.7°
C14	C19	C18	118.7°	118.6°
C14	C19	C20	109.4°	106.1°
C13	N12	C20	105.8°	110.7°
C13	N12	C6	122.4°	124.7°
N12	C13	H2	125.5°	125.7°
C18	C19	C20	131.8°	135.3°
C19	C18	H12	119.5°	120.2°
C19	C20	N12	107.6°	108.6°
C19	C20	H4	126.2°	125.7°
C20	N12	C6	129.2°	124.7°
N12	C20	H4	126.2°	125.7°
N12	C6	C5	125.3°	121.0°
N12	C6	C7	113.0°	120.9°
C6	C5	C10	113.8°	117.6°
C5	C6	C7	121.3°	118.0°
C5	C10	O11	120.6°	120.3°
C5	C10	N9	121.6°	119.4°
C6	C7	N8	122.6°	120.3°
C6	C7	H1	118.7°	119.9°
O11	C10	N9	117.6°	120.3°
C10	N9	N8	123.2°	122.0°
C10	N9	H10	118.4°	119.0°
C7	N8	N9	116.4°	122.7°
N8	C7	H1	118.7°	119.9°
N8	N9	H10	118.3°	119.1°
H6	C24	H7	109.5°	109.5°
H8	C26	H9	109.4°	109.4°
H13	C23	H14	109.5°	109.6°
H17	C27	H18	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N25	C24	C23	H6	120.1°	120.0°
N25	C24	C23	H7	120.1°	120.0°
C24	N25	C26	H15	120.5°	124.1°
N25	C24	C23	C22	59.2°	59.2°
C24	N25	C26	C27	55.0°	61.8°
N25	C24	H6	H7	119.6°	120.0°
C24	N25	C26	H8	175.2°	178.2°
C24	N25	C26	H9	65.3°	58.3°
N25	C24	C23	H13	179.2°	60.7°
N25	C24	C23	H14	60.9°	179.1°
C23	C24	N25	C26	57.0°	61.7°
C24	C23	C22	H13	120.1°	120.0°
C24	C23	C22	H14	120.1°	119.9°
C24	C23	C22	C27	59.1°	57.7°
C24	C23	C22	O21	175.3°	177.6°
C24	C23	C22	H5	60.5°	62.3°
C23	C24	H6	H7	119.6°	120.1°
C24	C23	H13	H14	119.8°	120.1°
C23	C24	N25	H15	63.5°	62.4°
N25	C26	C27	H8	120.3°	120.0°
N25	C26	C27	H9	120.3°	120.0°
N25	C26	C27	C22	55.0°	59.2°
C26	N25	C24	H6	63.1°	178.3°
C26	N25	C24	H7	177.1°	58.3°
N25	C26	H8	H9	119.3°	119.9°
N25	C26	C27	H17	65.2°	179.1°
N25	C26	C27	H18	175.3°	60.7°
C23	C22	C27	C26	57.2°	57.7°
C23	C22	C27	O21	120.3°	119.9°
C23	C22	C27	H5	119.6°	120.0°
C23	C22	O21	H5	123.3°	120.2°
C23	C22	O21	C17	66.4°	85.1°
C22	C23	C24	H6	61.0°	179.2°
C22	C23	C24	H7	179.3°	60.8°
C22	C23	H13	H14	119.8°	120.1°
C23	C22	C27	H17	63.1°	177.6°
C23	C22	C27	H18	177.4°	62.3°
F4	C2	F3	F1	116.9°	119.9°
F4	C2	F3	C5	112.7°	120.0°
F4	C2	F1	C5	119.9°	120.0°
F4	C2	C5	C6	28.4°	25.0°
F4	C2	C5	C10	146.5°	154.7°
C26	C27	C22	H17	120.3°	119.9°
C26	C27	C22	H18	120.2°	119.9°
C26	C27	C22	O21	177.5°	177.6°
C26	C27	C22	H5	62.4°	62.3°
C27	C26	H8	H9	119.2°	120.0°
C27	C26	N25	H15	65.5°	62.3°
C26	C27	H17	H18	119.3°	120.1°
C27	C22	O21	H5	119.1°	120.2°
C27	C22	O21	C17	176.0°	155.2°
C22	C27	C26	H8	175.3°	179.2°
C22	C27	C26	H9	65.2°	60.8°
C27	C22	C23	H13	179.1°	62.3°
C27	C22	C23	H14	61.0°	177.6°
C22	C27	H17	H18	119.3°	120.1°
C22	O21	C17	C16	120.0°	6.1°
C22	O21	C17	C18	66.1°	174.6°
O21	C22	C23	H13	64.6°	57.6°
O21	C22	C23	H14	55.2°	62.5°
O21	C22	C27	H17	57.2°	62.6°
O21	C22	C27	H18	62.3°	57.6°
C15	C16	C17	H11	180.0°	180.0°
C16	C15	C14	H3	180.0°	179.9°
C15	C16	C17	O21	177.3°	179.8°
C15	C16	C17	C18	3.2°	0.5°
C16	C15	C14	C13	179.1°	180.0°
C16	C15	C14	C19	0.6°	0.2°
C17	C16	C15	C14	2.1°	0.0°
C16	C17	O21	C18	173.9°	179.3°
C16	C17	C18	C19	2.8°	0.7°
C17	C16	C15	H3	177.9°	180.0°
C16	C17	C18	H12	177.2°	180.0°
C15	C14	C13	C19	178.6°	179.8°
C15	C14	C13	N12	178.2°	180.0°
C15	C14	C19	C18	0.2°	0.0°
C15	C14	C19	C20	178.1°	179.9°
C15	C14	C13	H2	1.8°	0.0°
C14	C15	C16	H11	177.9°	180.0°
F3	C2	F1	C5	125.7°	120.0°
F3	C2	C5	C6	141.1°	145.0°
F3	C2	C5	C10	33.8°	34.7°
O21	C17	C18	C19	176.6°	180.0°
C17	O21	C22	H5	56.9°	35.1°
O21	C17	C16	H11	2.7°	0.2°
O21	C17	C18	H12	3.4°	0.7°
C17	C18	C19	C14	1.3°	0.5°
C17	C18	C19	H12	180.0°	179.3°
C17	C18	C19	C20	176.6°	179.3°
C18	C17	C16	H11	176.8°	179.5°
F1	C2	C5	C6	93.5°	95.0°
F1	C2	C5	C10	91.7°	85.3°
C2	C5	C6	N12	14.6°	0.3°
C2	C5	C6	C10	175.1°	179.7°
C2	C5	C6	C7	173.0°	179.7°
C2	C5	C10	O11	13.0°	0.3°
C2	C5	C10	N9	172.4°	179.7°
C14	C13	N12	H2	180.0°	180.0°
C13	C14	C19	C18	179.0°	179.8°
C13	C14	C19	C20	0.6°	0.3°
C14	C13	N12	C20	0.0°	0.0°
C14	C13	N12	C6	163.2°	179.7°
C13	C14	C15	H3	0.9°	0.0°
C19	C14	C13	N12	0.4°	0.2°
C14	C19	C18	C20	177.9°	179.8°
C14	C19	C20	N12	0.6°	0.3°
C19	C14	C13	H2	179.6°	179.8°
C19	C14	C15	H3	179.4°	179.7°
C14	C19	C20	H4	179.4°	179.6°
C14	C19	C18	H12	178.7°	179.7°
C13	N12	C20	C19	0.3°	0.2°
C13	N12	C20	C6	161.7°	179.7°
C13	N12	C6	C5	24.0°	64.7°
C13	N12	C6	C7	148.9°	115.3°
C13	N12	C20	H4	179.7°	179.7°
C18	C19	C20	N12	178.7°	179.9°
C18	C19	C20	H4	1.3°	0.2°
C19	C20	N12	H4	180.0°	179.9°
C19	C20	N12	C6	161.3°	179.9°
C20	C19	C18	H12	3.4°	0.0°
C20	N12	C6	C5	177.0°	115.0°
C20	N12	C6	C7	10.1°	65.0°
C20	N12	C13	H2	180.0°	180.0°
N12	C6	C5	C7	172.4°	180.0°
N12	C6	C5	C10	170.3°	180.0°
N12	C6	C7	N8	179.3°	180.0°
N12	C6	C7	H1	0.7°	0.0°
C6	N12	C13	H2	16.8°	0.3°
C6	N12	C20	H4	18.7°	0.0°
C6	C5	C10	O11	171.4°	180.0°
C6	C5	C10	N9	3.2°	0.0°
C5	C6	C7	N8	6.0°	0.0°
C5	C6	C7	H1	174.0°	180.0°
C10	C5	C6	C7	2.1°	0.0°
C5	C10	O11	N9	174.8°	180.0°
C5	C10	N9	N8	3.2°	0.0°
C5	C10	N9	H10	176.9°	180.0°
C6	C7	N8	H1	180.0°	180.0°
C6	C7	N8	N9	12.0°	0.0°
O11	C10	N9	N8	177.9°	180.0°
O11	C10	N9	H10	2.1°	0.1°
C10	N9	N8	C7	10.9°	0.0°
C10	N9	N8	H10	180.0°	180.0°
C7	N8	N9	H10	169.1°	179.9°
N9	N8	C7	H1	168.0°	180.0°
H3	C15	C16	H11	2.1°	0.0°
H5	C22	C23	H13	59.6°	177.8°
H5	C22	C23	H14	179.4°	57.6°
H5	C22	C27	H17	177.4°	57.6°
H5	C22	C27	H18	57.9°	177.7°
H6	C24	C23	H13	59.1°	59.2°
H6	C24	C23	H14	178.9°	60.9°
H6	C24	N25	H15	176.4°	57.6°
H7	C24	C23	H13	60.6°	179.3°
H7	C24	C23	H14	59.2°	59.1°
H7	C24	N25	H15	56.6°	177.6°
H8	C26	N25	H15	54.7°	57.7°
H8	C26	C27	H17	55.1°	60.8°
H8	C26	C27	H18	64.4°	59.3°
H9	C26	N25	H15	174.2°	177.6°
H9	C26	C27	H17	174.5°	59.1°
H9	C26	C27	H18	55.0°	179.3°

Release date:	2020-10-07
Definition date:	2020-03-17
Last modified:	2020-10-02
Release status:	REL
Processing site:	RCSB
Derived from:	6W65