PT7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C22	doub	0.00Å	1.37Å	Aromatic
C23	C24	sing	0.00Å	1.40Å	Aromatic
C22	C21	sing	0.00Å	1.41Å	Aromatic
C12	C13	doub	0.00Å	1.38Å	Aromatic
C12	C11	sing	0.00Å	1.39Å	Aromatic
C24	C19	doub	0.00Å	1.41Å	Aromatic
C13	C8	sing	0.00Å	1.40Å	Aromatic
C21	C20	doub	0.00Å	1.36Å	Aromatic
C11	C10	doub	0.00Å	1.41Å	Aromatic
C19	C20	sing	0.00Å	1.42Å	Aromatic
C19	P1	sing	0.00Å	1.83Å
C8	P1	sing	0.00Å	1.79Å
C8	C9	doub	0.00Å	1.40Å	Aromatic
C5	C4	sing	0.00Å	1.38Å	Aromatic
C5	C6	doub	0.00Å	1.35Å	Aromatic
C10	C9	sing	0.00Å	1.38Å	Aromatic
C4	C3	doub	0.00Å	1.36Å	Aromatic
P1	C25	sing	0.00Å	1.77Å
P1	PT20	sing	0.00Å	2.30Å
C25	C30	doub	0.00Å	1.40Å	Aromatic
C25	C26	sing	0.00Å	1.43Å	Aromatic
C30	C29	sing	0.00Å	1.38Å	Aromatic
C6	C7	sing	0.00Å	1.40Å	Aromatic
C26	C27	doub	0.00Å	1.37Å	Aromatic
C29	C28	doub	0.00Å	1.36Å	Aromatic
C27	C28	sing	0.00Å	1.35Å	Aromatic
C3	PT20	sing	0.00Å	2.20Å
C3	C2	sing	0.00Å	1.46Å	Aromatic
C7	C2	doub	0.00Å	1.41Å	Aromatic
PT20	N19	sing	0.00Å	2.23Å
C2	C14	sing	0.00Å	1.48Å
C14	N19	sing	0.00Å	1.35Å	Aromatic
C14	C15	doub	0.00Å	1.36Å	Aromatic
N19	C18	doub	0.00Å	1.36Å	Aromatic
C15	C16	sing	0.00Å	1.40Å	Aromatic
C18	C17	sing	0.00Å	1.36Å	Aromatic
C16	C17	doub	0.00Å	1.36Å	Aromatic
C13	H1	sing	0.00Å	1.08Å
C12	H2	sing	0.00Å	1.08Å
C11	H3	sing	0.00Å	1.08Å
C10	H4	sing	0.00Å	1.08Å
C9	H5	sing	0.00Å	1.08Å
C26	H6	sing	0.00Å	1.08Å
C27	H7	sing	0.00Å	1.08Å
C28	H8	sing	0.00Å	1.08Å
C29	H9	sing	0.00Å	1.08Å
C30	H10	sing	0.00Å	1.08Å
C20	H11	sing	0.00Å	1.08Å
C21	H12	sing	0.00Å	1.08Å
C22	H13	sing	0.00Å	1.08Å
C23	H14	sing	0.00Å	1.08Å
C24	H15	sing	0.00Å	1.08Å
C15	H16	sing	0.00Å	1.08Å
C16	H17	sing	0.00Å	1.08Å
C17	H18	sing	0.00Å	1.08Å
C18	H19	sing	0.00Å	1.08Å
C7	H20	sing	0.00Å	1.08Å
C6	H21	sing	0.00Å	1.08Å
C5	H22	sing	0.00Å	1.08Å
C4	H23	sing	0.00Å	1.08Å
PT20	CL1	sing	0.00Å	54.04Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	C23	C24	122.5°	90.0°
C23	C22	C21	120.6°	90.0°
C23	C22	H13	119.7°	90.0°
C22	C23	H14	118.8°	90.0°
C23	C24	C19	116.9°	90.0°
C24	C23	H14	118.7°	90.0°
C23	C24	H15	121.6°	90.0°
C22	C21	C20	117.6°	90.0°
C22	C21	H12	121.2°	90.0°
C21	C22	H13	119.7°	90.0°
C13	C12	C11	123.2°	90.0°
C12	C13	C8	115.1°	90.0°
C12	C13	H1	122.5°	90.0°
C13	C12	H2	118.4°	90.0°
C12	C11	C10	120.8°	90.0°
C11	C12	H2	118.4°	90.0°
C12	C11	H3	119.6°	90.0°
C24	C19	C20	118.8°	90.0°
C24	C19	P1	121.1°	90.0°
C19	C24	H15	121.6°	90.0°
C13	C8	P1	118.6°	90.0°
C13	C8	C9	123.3°	90.0°
C8	C13	H1	122.4°	90.0°
C21	C20	C19	123.0°	90.0°
C21	C20	H11	118.5°	90.0°
C20	C21	H12	121.2°	90.0°
C11	C10	C9	117.3°	90.0°
C10	C11	H3	119.6°	90.0°
C11	C10	H4	121.3°	90.0°
C20	C19	P1	120.0°	90.0°
C19	C20	H11	118.5°	90.0°
C19	P1	C8	112.0°	90.0°
C19	P1	C25	100.5°	90.0°
C19	P1	PT20	111.8°	90.0°
P1	C8	C9	118.0°	90.0°
C8	P1	C25	106.3°	90.0°
C8	P1	PT20	113.9°	90.0°
C8	C9	C10	120.3°	90.0°
C8	C9	H5	119.9°	90.0°
C4	C5	C6	122.3°	90.0°
C5	C4	C3	120.4°	90.0°
C4	C5	H22	118.9°	90.0°
C5	C4	H23	119.8°	90.0°
C5	C6	C7	121.4°	90.0°
C5	C6	H21	119.3°	90.0°
C6	C5	H22	118.8°	90.0°
C9	C10	H4	121.4°	90.0°
C10	C9	H5	119.9°	90.0°
C4	C3	PT20	134.2°	90.0°
C4	C3	C2	116.8°	90.0°
C3	C4	H23	119.8°	90.0°
C25	P1	PT20	111.4°	90.0°
P1	C25	C30	123.4°	90.0°
P1	C25	C26	123.9°	90.0°
P1	PT20	C3	95.1°	90.0°
P1	PT20	N19	173.4°	90.0°
P1	PT20	CL1	52.9°	90.0°
C30	C25	C26	112.5°	90.0°
C25	C30	C29	123.8°	90.0°
C25	C30	H10	118.1°	90.0°
C25	C26	C27	120.7°	90.0°
C25	C26	H6	119.6°	90.0°
C30	C29	C28	122.7°	90.0°
C30	C29	H9	118.7°	90.0°
C29	C30	H10	118.1°	90.0°
C6	C7	C2	116.7°	90.0°
C6	C7	H20	121.7°	90.0°
C7	C6	H21	119.3°	90.0°
C26	C27	C28	125.4°	90.0°
C27	C26	H6	119.6°	90.0°
C26	C27	H7	117.3°	90.0°
C29	C28	C27	114.7°	90.0°
C29	C28	H8	122.7°	90.0°
C28	C29	H9	118.7°	90.0°
C28	C27	H7	117.3°	90.0°
C27	C28	H8	122.6°	90.0°
PT20	C3	C2	106.6°	90.0°
C3	PT20	N19	79.0°	90.0°
C3	PT20	CL1	143.4°	90.0°
C3	C2	C7	121.1°	90.0°
C3	C2	C14	125.0°	90.0°
C7	C2	C14	113.7°	90.0°
C2	C7	H20	121.7°	90.0°
PT20	N19	C14	117.1°	90.0°
PT20	N19	C18	116.0°	90.0°
N19	PT20	CL1	133.6°	90.0°
C2	C14	N19	111.5°	90.0°
C2	C14	C15	133.3°	90.0°
N19	C14	C15	115.2°	90.0°
C14	N19	C18	126.7°	90.0°
C14	C15	C16	120.9°	90.0°
C14	C15	H16	119.5°	90.0°
N19	C18	C17	117.2°	90.0°
N19	C18	H19	121.4°	90.0°
C15	C16	C17	120.4°	90.0°
C16	C15	H16	119.5°	90.0°
C15	C16	H17	119.8°	90.0°
C18	C17	C16	119.5°	90.0°
C18	C17	H18	120.3°	90.0°
C17	C18	H19	121.4°	90.0°
C17	C16	H17	119.8°	90.0°
C16	C17	H18	120.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	C23	C24	H14	180.0°	90.0°
C23	C22	C21	H13	180.0°	90.0°
C22	C23	C24	C19	8.8°	90.0°
C23	C22	C21	C20	3.4°	90.0°
C23	C22	C21	H12	176.6°	90.0°
C22	C23	C24	H15	171.2°	90.0°
C24	C23	C22	C21	7.2°	90.0°
C23	C24	C19	H15	180.0°	90.0°
C23	C24	C19	C20	6.9°	90.0°
C23	C24	C19	P1	176.3°	90.0°
C24	C23	C22	H13	172.8°	90.0°
C22	C21	C20	H12	180.0°	90.0°
C22	C21	C20	C19	1.7°	90.0°
C22	C21	C20	H11	178.2°	90.0°
C21	C22	C23	H14	172.8°	90.0°
C13	C12	C11	H2	180.0°	90.0°
C12	C13	C8	H1	180.0°	90.0°
C13	C12	C11	C10	1.1°	90.0°
C12	C13	C8	P1	177.0°	90.0°
C12	C13	C8	C9	0.6°	90.0°
C13	C12	C11	H3	178.9°	90.0°
C11	C12	C13	C8	0.3°	90.0°
C12	C11	C10	H3	180.0°	90.0°
C12	C11	C10	C9	0.9°	90.0°
C11	C12	C13	H1	179.7°	90.0°
C12	C11	C10	H4	179.1°	90.0°
C24	C19	C20	C21	3.7°	90.0°
C24	C19	C20	P1	176.8°	90.0°
C24	C19	P1	C8	62.6°	90.0°
C24	C19	P1	C25	50.0°	90.0°
C24	C19	P1	PT20	168.2°	90.0°
C24	C19	C20	H11	176.3°	90.0°
C19	C24	C23	H14	171.2°	90.0°
C13	C8	P1	C19	21.1°	90.0°
C13	C8	P1	C9	176.6°	90.0°
C13	C8	C9	C10	0.8°	90.0°
C13	C8	P1	C25	87.7°	90.0°
C13	C8	P1	PT20	149.3°	90.0°
C8	C13	C12	H2	179.7°	90.0°
C13	C8	C9	H5	179.2°	90.0°
C21	C20	C19	H11	180.0°	90.0°
C21	C20	C19	P1	179.5°	90.0°
C20	C21	C22	H13	176.7°	90.0°
C11	C10	C9	C8	0.0°	90.0°
C11	C10	C9	H4	180.0°	90.0°
C10	C11	C12	H2	178.9°	90.0°
C11	C10	C9	H5	180.0°	90.0°
C20	C19	P1	C8	114.2°	90.0°
C20	C19	P1	C25	133.3°	90.0°
C20	C19	P1	PT20	15.0°	90.0°
C19	C20	C21	H12	178.2°	90.0°
C20	C19	C24	H15	173.1°	90.0°
C19	P1	C8	C25	108.9°	90.0°
C19	P1	C8	PT20	128.1°	90.0°
C19	P1	C8	C9	155.4°	90.0°
C19	P1	C25	PT20	118.6°	90.0°
C19	P1	C25	C30	40.0°	90.0°
C19	P1	C25	C26	145.5°	90.0°
C19	P1	PT20	C3	78.2°	90.0°
C19	P1	PT20	N19	53.5°	90.0°
P1	C19	C20	H11	0.5°	90.0°
P1	C19	C24	H15	3.7°	90.0°
C19	P1	PT20	CL1	121.2°	90.0°
P1	C8	C9	C10	177.2°	90.0°
C8	P1	C25	PT20	124.6°	90.0°
C8	P1	C25	C30	156.9°	90.0°
C8	P1	C25	C26	28.6°	90.0°
C8	P1	PT20	C3	50.0°	90.0°
C8	P1	PT20	N19	74.7°	90.0°
P1	C8	C13	H1	3.0°	90.0°
P1	C8	C9	H5	2.8°	90.0°
C8	P1	PT20	CL1	110.5°	90.0°
C8	C9	C10	H5	180.0°	90.0°
C9	C8	P1	C25	95.7°	90.0°
C9	C8	P1	PT20	27.3°	90.0°
C9	C8	C13	H1	179.4°	90.0°
C8	C9	C10	H4	180.0°	90.0°
C4	C5	C6	H22	180.0°	90.0°
C5	C4	C3	H23	180.0°	90.0°
C4	C5	C6	C7	0.1°	90.0°
C5	C4	C3	PT20	173.7°	90.0°
C5	C4	C3	C2	13.7°	90.0°
C4	C5	C6	H21	179.9°	90.0°
C6	C5	C4	C3	9.2°	90.0°
C5	C6	C7	H21	180.0°	90.0°
C5	C6	C7	C2	3.6°	90.0°
C5	C6	C7	H20	176.3°	90.0°
C6	C5	C4	H23	170.8°	90.0°
C9	C10	C11	H3	179.1°	90.0°
C4	C3	PT20	P1	7.8°	90.0°
C4	C3	PT20	C2	161.4°	90.0°
C4	C3	C2	C7	10.1°	90.0°
C4	C3	PT20	N19	169.4°	90.0°
C4	C3	C2	C14	174.6°	90.0°
C3	C4	C5	H22	170.8°	90.0°
C4	C3	PT20	CL1	34.3°	90.0°
P1	C25	C30	C26	175.1°	90.0°
P1	C25	C30	C29	175.3°	90.0°
P1	C25	C26	C27	176.7°	90.0°
C25	P1	PT20	C3	170.2°	90.0°
C25	P1	PT20	N19	165.1°	90.0°
P1	C25	C26	H6	3.2°	90.0°
P1	C25	C30	H10	4.7°	90.0°
C25	P1	PT20	CL1	9.7°	90.0°
PT20	P1	C25	C30	78.6°	90.0°
PT20	P1	C25	C26	95.9°	90.0°
P1	PT20	C3	N19	177.2°	90.0°
P1	PT20	C3	CL1	26.5°	90.0°
P1	PT20	C3	C2	169.2°	90.0°
P1	PT20	N19	CL1	174.2°	90.0°
P1	PT20	N19	C14	17.6°	90.0°
P1	PT20	N19	C18	157.2°	90.0°
C25	C30	C29	H10	180.0°	90.0°
C30	C25	C26	C27	1.7°	90.0°
C25	C30	C29	C28	1.9°	90.0°
C30	C25	C26	H6	178.3°	90.0°
C25	C30	C29	H9	178.2°	90.0°
C26	C25	C30	C29	0.2°	90.0°
C25	C26	C27	H6	180.0°	90.0°
C25	C26	C27	C28	5.1°	90.0°
C25	C26	C27	H7	174.9°	90.0°
C26	C25	C30	H10	179.8°	90.0°
C30	C29	C28	H9	180.0°	90.0°
C30	C29	C28	C27	4.6°	90.0°
C30	C29	C28	H8	175.4°	90.0°
C6	C7	C2	C3	1.5°	90.0°
C6	C7	C2	H20	180.0°	90.0°
C6	C7	C2	C14	177.3°	90.0°
C7	C6	C5	H22	179.9°	90.0°
C26	C27	C28	C29	6.4°	90.0°
C26	C27	C28	H7	180.0°	90.0°
C26	C27	C28	H8	173.6°	90.0°
C29	C28	C27	H8	180.0°	90.0°
C29	C28	C27	H7	173.6°	90.0°
C28	C29	C30	H10	178.1°	90.0°
C28	C27	C26	H6	174.8°	90.0°
C27	C28	C29	H9	175.4°	90.0°
PT20	C3	C2	C7	175.3°	90.0°
C3	PT20	N19	CL1	160.7°	90.0°
PT20	C3	C2	C14	9.5°	90.0°
C3	PT20	N19	C14	7.5°	90.0°
C3	PT20	N19	C18	177.7°	90.0°
PT20	C3	C4	H23	6.3°	90.0°
C3	C2	C7	C14	175.8°	90.0°
C2	C3	PT20	N19	8.0°	90.0°
C3	C2	C14	N19	3.7°	90.0°
C3	C2	C14	C15	178.0°	90.0°
C3	C2	C7	H20	178.5°	90.0°
C2	C3	C4	H23	166.3°	90.0°
C2	C3	PT20	CL1	164.3°	90.0°
C7	C2	C14	N19	179.3°	90.0°
C7	C2	C14	C15	2.4°	90.0°
C2	C7	C6	H21	176.4°	90.0°
PT20	N19	C14	C2	4.5°	90.0°
PT20	N19	C14	C18	174.1°	90.0°
PT20	N19	C14	C15	174.1°	90.0°
PT20	N19	C18	C17	173.3°	90.0°
PT20	N19	C18	H19	6.7°	90.0°
C2	C14	N19	C15	178.6°	90.0°
C2	C14	N19	C18	178.7°	90.0°
C2	C14	C15	C16	177.2°	90.0°
C2	C14	C15	H16	2.8°	90.0°
C14	C2	C7	H20	2.7°	90.0°
N19	C14	C15	C16	1.0°	90.0°
C14	N19	C18	C17	0.9°	90.0°
N19	C14	C15	H16	179.0°	90.0°
C14	N19	C18	H19	179.1°	90.0°
C14	N19	PT20	CL1	168.2°	90.0°
C15	C14	N19	C18	0.1°	90.0°
C14	C15	C16	H16	180.0°	90.0°
C14	C15	C16	C17	1.3°	90.0°
C14	C15	C16	H17	178.7°	90.0°
N19	C18	C17	H19	180.0°	90.0°
N19	C18	C17	C16	0.6°	90.0°
N19	C18	C17	H18	179.5°	90.0°
C18	N19	PT20	CL1	17.0°	90.0°
C15	C16	C17	C18	0.4°	90.0°
C15	C16	C17	H17	180.0°	90.0°
C15	C16	C17	H18	179.5°	90.0°
C18	C17	C16	H18	180.0°	90.0°
C18	C17	C16	H17	179.5°	90.0°
C17	C16	C15	H16	178.7°	90.0°
C16	C17	C18	H19	179.4°	90.0°
H1	C13	C12	H2	0.3°	90.0°
H2	C12	C11	H3	1.1°	90.0°
H3	C11	C10	H4	0.9°	90.0°
H4	C10	C9	H5	0.0°	90.0°
H6	C26	C27	H7	5.2°	90.0°
H7	C27	C28	H8	6.4°	90.0°
H8	C28	C29	H9	4.6°	90.0°
H9	C29	C30	H10	1.8°	90.0°
H11	C20	C21	H12	1.8°	90.0°
H12	C21	C22	H13	3.4°	90.0°
H13	C22	C23	H14	7.1°	90.0°
H14	C23	C24	H15	8.8°	90.0°
H16	C15	C16	H17	1.3°	90.0°
H17	C16	C17	H18	0.5°	90.0°
H18	C17	C18	H19	0.5°	90.0°
H20	C7	C6	H21	3.7°	90.0°
H21	C6	C5	H22	0.1°	90.0°
H22	C5	C4	H23	9.2°	90.0°

Release date:	2018-11-14
Definition date:	2018-07-18
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	6E2B