9M0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O25	C20	sing	1.37Å	1.37Å
O25	C24	sing	1.44Å	1.42Å
C21	C20	sing	1.39Å	1.37Å	Aromatic
C21	C22	doub	1.38Å	1.38Å	Aromatic
C20	C19	doub	1.39Å	1.36Å	Aromatic
C22	C17	sing	1.38Å	1.39Å	Aromatic
C24	O23	sing	1.44Å	1.42Å
C19	O23	sing	1.36Å	1.37Å
C19	C18	sing	1.39Å	1.37Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.51Å	1.51Å
C16	C11	sing	1.51Å	1.50Å
C11	C8	doub	1.34Å	1.33Å	Aromatic
C11	N12	sing	1.37Å	1.36Å	Aromatic
O7	C8	sing	1.35Å	1.34Å
O7	C4	sing	1.36Å	1.37Å
C3	C4	doub	1.39Å	1.38Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.48Å	1.39Å	Aromatic
N12	C13	sing	1.37Å	1.37Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C9	C13	doub	1.37Å	1.38Å	Aromatic
C9	C10	sing	1.47Å	1.41Å
C13	C15	sing	1.47Å	1.45Å
C5	C10	sing	1.49Å	1.44Å
C5	C6	doub	1.40Å	1.38Å	Aromatic
C1	C6	sing	1.38Å	1.37Å	Aromatic
C10	O14	doub	1.22Å	1.22Å
C6	F30	sing	1.35Å	1.33Å
N29	C15	doub	1.31Å	1.30Å	Aromatic
N29	C28	sing	1.31Å	1.37Å	Aromatic
C15	S26	sing	1.76Å	1.72Å	Aromatic
C28	C27	doub	1.34Å	1.33Å	Aromatic
S26	C27	sing	1.76Å	1.67Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
N12	H4	sing	0.97Å	1.00Å
C16	H5	sing	1.09Å	1.10Å
C16	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
C24	H10	sing	1.09Å	1.10Å
C27	H11	sing	1.08Å	1.08Å
C28	H12	sing	1.08Å	1.08Å
C24	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	O25	C24	105.6°	105.5°
O25	C20	C21	128.5°	131.5°
O25	C20	C19	110.1°	108.6°
O25	C24	O23	108.4°	103.7°
O25	C24	H10	109.7°	110.6°
O25	C24	H13	109.7°	110.7°
C20	C21	C22	117.7°	120.1°
C21	C20	C19	121.4°	119.8°
C20	C21	H8	121.1°	120.0°
C21	C22	C17	121.5°	120.1°
C22	C21	H8	121.2°	120.0°
C21	C22	H9	119.3°	119.9°
C20	C19	O23	110.2°	108.7°
C20	C19	C18	121.5°	119.8°
C22	C17	C18	119.1°	120.2°
C22	C17	C16	120.9°	119.9°
C17	C22	H9	119.3°	120.0°
C24	O23	C19	105.4°	105.4°
O23	C24	H10	109.7°	110.5°
O23	C24	H13	109.7°	110.5°
O23	C19	C18	128.3°	131.5°
C19	C18	C17	118.8°	120.0°
C19	C18	H7	120.6°	120.0°
C18	C17	C16	119.9°	119.9°
C17	C18	H7	120.6°	120.0°
C17	C16	C11	106.3°	109.5°
C17	C16	H5	110.3°	109.5°
C17	C16	H6	110.3°	109.5°
C16	C11	C8	122.8°	125.3°
C16	C11	N12	130.1°	125.3°
C11	C16	H5	110.3°	109.5°
C11	C16	H6	110.2°	109.5°
C8	C11	N12	107.1°	109.4°
C11	C8	O7	125.2°	132.3°
C11	C8	C9	109.9°	106.2°
C11	N12	C13	109.8°	110.3°
C11	N12	H4	125.1°	124.8°
C8	O7	C4	116.2°	119.3°
O7	C8	C9	124.9°	121.5°
O7	C4	C3	116.6°	117.7°
O7	C4	C5	121.7°	123.6°
C4	C3	C2	119.3°	120.5°
C3	C4	C5	121.7°	118.7°
C4	C3	H3	120.4°	119.8°
C3	C2	C1	120.6°	120.7°
C3	C2	H2	119.7°	119.6°
C2	C3	H3	120.3°	119.8°
C8	C9	C13	106.3°	106.8°
C8	C9	C10	119.5°	119.5°
N12	C13	C9	107.0°	107.3°
N12	C13	C15	119.1°	126.3°
C13	N12	H4	125.1°	124.9°
C4	C5	C10	121.4°	120.5°
C4	C5	C6	116.6°	120.4°
C2	C1	C6	118.4°	119.9°
C2	C1	H1	120.8°	120.0°
C1	C2	H2	119.7°	119.6°
C13	C9	C10	132.7°	133.7°
C9	C13	C15	134.0°	126.4°
C9	C10	C5	115.0°	113.8°
C9	C10	O14	122.9°	123.1°
C13	C15	N29	121.8°	125.4°
C13	C15	S26	124.2°	125.5°
C10	C5	C6	122.0°	119.2°
C5	C10	O14	122.1°	123.1°
C5	C6	C1	123.5°	119.8°
C5	C6	F30	117.5°	120.1°
C1	C6	F30	119.0°	120.1°
C6	C1	H1	120.8°	120.1°
C15	N29	C28	109.6°	117.0°
N29	C15	S26	114.0°	109.1°
N29	C28	C27	116.2°	115.9°
N29	C28	H12	121.9°	122.0°
C15	S26	C27	89.6°	89.8°
C28	C27	S26	110.6°	108.2°
C28	C27	H11	124.7°	125.9°
C27	C28	H12	121.9°	122.1°
S26	C27	H11	124.7°	125.9°
H5	C16	H6	109.5°	109.4°
H10	C24	H13	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O25	C20	C21	C19	178.9°	180.0°
O25	C20	C21	C22	176.8°	179.7°
C20	O25	C24	O23	1.2°	27.1°
O25	C20	C19	O23	4.8°	0.0°
O25	C20	C19	C18	177.4°	180.0°
O25	C20	C21	H8	3.2°	0.1°
C20	O25	C24	H10	121.1°	91.4°
C20	O25	C24	H13	118.6°	145.7°
C24	O25	C20	C21	178.9°	162.7°
C24	O25	C20	C19	2.1°	17.3°
O25	C24	O23	H10	119.8°	118.6°
O25	C24	O23	H13	119.8°	118.7°
O25	C24	O23	C19	4.0°	27.1°
O25	C24	H10	H13	120.5°	123.0°
C20	C21	C22	H8	180.0°	179.7°
C20	C21	C22	C17	0.5°	0.6°
C21	C20	C19	O23	176.1°	179.9°
C21	C20	C19	C18	1.7°	0.0°
C20	C21	C22	H9	179.5°	179.9°
C22	C21	C20	C19	2.1°	0.3°
C21	C22	C17	H9	180.0°	179.5°
C21	C22	C17	C18	1.4°	0.6°
C21	C22	C17	C16	178.4°	179.7°
C20	C19	O23	C24	5.3°	17.3°
C20	C19	O23	C18	177.7°	180.0°
C20	C19	C18	C17	0.3°	0.0°
C20	C19	C18	H7	179.7°	180.0°
C19	C20	C21	H8	177.9°	180.0°
C22	C17	C18	C19	1.8°	0.3°
C22	C17	C18	C16	179.8°	179.6°
C22	C17	C16	C11	108.2°	90.3°
C22	C17	C16	H5	132.3°	149.7°
C22	C17	C16	H6	11.3°	29.7°
C22	C17	C18	H7	178.2°	179.7°
C17	C22	C21	H8	179.5°	179.7°
C24	O23	C19	C18	177.0°	162.7°
O23	C24	H10	H13	120.5°	122.7°
O23	C19	C18	C17	177.7°	179.9°
O23	C19	C18	H7	2.3°	0.0°
C19	O23	C24	H10	123.8°	91.5°
C19	O23	C24	H13	115.9°	145.8°
C19	C18	C17	H7	180.0°	179.9°
C19	C18	C17	C16	178.0°	180.0°
C18	C17	C16	C11	72.0°	90.1°
C18	C17	C16	H5	47.5°	30.0°
C18	C17	C16	H6	168.5°	149.9°
C18	C17	C22	H9	178.6°	179.9°
C17	C16	C11	H5	119.5°	120.1°
C17	C16	C11	H6	119.5°	120.0°
C17	C16	C11	C8	79.3°	84.9°
C17	C16	C11	N12	101.0°	95.0°
C17	C16	H5	H6	121.5°	120.0°
C16	C17	C18	H7	2.0°	0.1°
C16	C17	C22	H9	1.7°	0.3°
C16	C11	C8	N12	179.8°	179.9°
C16	C11	C8	O7	0.1°	0.3°
C16	C11	C8	C9	179.9°	179.9°
C16	C11	N12	C13	179.5°	180.0°
C16	C11	N12	H4	0.4°	0.0°
C11	C16	H5	H6	121.4°	120.0°
C11	C8	O7	C9	180.0°	179.7°
C11	C8	O7	C4	166.1°	168.7°
C8	C11	N12	C13	0.2°	0.0°
C11	C8	C9	C13	0.4°	0.2°
C11	C8	C9	C10	168.2°	179.6°
C8	C11	N12	H4	179.8°	179.9°
C8	C11	C16	H5	161.2°	155.0°
C8	C11	C16	H6	40.2°	35.1°
N12	C11	C8	O7	179.9°	179.6°
N12	C11	C8	C9	0.1°	0.1°
C11	N12	C13	H4	180.0°	180.0°
C11	N12	C13	C9	0.4°	0.1°
C11	N12	C13	C15	178.6°	180.0°
N12	C11	C16	H5	18.5°	25.1°
N12	C11	C16	H6	139.5°	145.0°
C8	O7	C4	C3	173.2°	168.6°
C8	O7	C4	C5	7.9°	11.7°
O7	C8	C9	C13	179.6°	179.6°
O7	C8	C9	C10	11.8°	0.6°
O7	C4	C3	C5	178.9°	179.7°
O7	C4	C3	C2	178.2°	180.0°
C4	O7	C8	C9	13.9°	11.6°
O7	C4	C5	C10	0.5°	0.4°
O7	C4	C5	C6	178.8°	179.7°
O7	C4	C3	H3	1.8°	0.3°
C4	C3	C2	H3	180.0°	179.7°
C4	C3	C2	C1	0.4°	0.3°
C3	C4	C5	C10	179.3°	179.9°
C3	C4	C5	C6	0.0°	0.0°
C4	C3	C2	H2	179.6°	179.7°
C2	C3	C4	C5	0.7°	0.3°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	C6	0.6°	0.2°
C3	C2	C1	H1	179.4°	179.8°
C8	C9	C13	N12	0.5°	0.2°
C8	C9	C13	C10	165.5°	179.7°
C8	C9	C13	C15	178.3°	179.9°
C8	C9	C10	C5	3.3°	9.7°
C8	C9	C10	O14	178.4°	170.3°
N12	C13	C9	C15	178.8°	179.9°
N12	C13	C9	C10	166.0°	179.6°
N12	C13	C15	N29	15.2°	179.7°
N12	C13	C15	S26	164.4°	0.1°
C4	C5	C10	C9	1.9°	9.9°
C4	C5	C10	C6	179.3°	179.8°
C4	C5	C6	C1	1.1°	0.1°
C4	C5	C10	O14	176.5°	170.1°
C4	C5	C6	F30	177.8°	179.9°
C5	C4	C3	H3	179.3°	180.0°
C2	C1	C6	C5	1.4°	0.1°
C2	C1	C6	H1	180.0°	180.0°
C2	C1	C6	F30	177.5°	179.9°
C1	C2	C3	H3	179.6°	180.0°
C13	C9	C10	C5	167.2°	170.0°
C13	C9	C10	O14	14.4°	10.0°
C9	C13	C15	N29	166.1°	0.4°
C9	C13	C15	S26	14.4°	180.0°
C9	C13	N12	H4	179.6°	179.9°
C10	C9	C13	C15	12.9°	0.4°
C9	C10	C5	O14	178.4°	180.0°
C9	C10	C5	C6	178.9°	169.9°
C13	C15	N29	S26	179.6°	179.7°
C13	C15	N29	C28	179.1°	179.8°
C13	C15	S26	C27	179.3°	180.0°
C15	C13	N12	H4	1.4°	0.0°
C10	C5	C6	C1	178.2°	179.7°
C10	C5	C6	F30	2.9°	0.3°
C5	C6	C1	F30	178.9°	180.0°
C6	C5	C10	O14	2.8°	10.1°
C5	C6	C1	H1	178.6°	180.0°
C6	C1	C2	H2	179.4°	179.9°
F30	C6	C1	H1	2.5°	0.0°
C15	N29	C28	C27	0.6°	0.5°
N29	C15	S26	C27	0.2°	0.3°
C15	N29	C28	H12	179.5°	179.8°
C28	N29	C15	S26	0.5°	0.5°
N29	C28	C27	H12	180.0°	179.7°
N29	C28	C27	S26	0.4°	0.2°
N29	C28	C27	H11	179.6°	179.7°
C15	S26	C27	C28	0.1°	0.0°
C15	S26	C27	H11	179.9°	180.0°
C28	C27	S26	H11	180.0°	180.0°
S26	C27	C28	H12	179.6°	180.0°
H1	C1	C2	H2	0.6°	0.1°
H2	C2	C3	H3	0.4°	0.0°
H8	C21	C22	H9	0.5°	0.3°
H11	C27	C28	H12	0.4°	0.0°

Release date:	2018-09-19
Definition date:	2018-05-31
Last modified:	2018-09-14
Release status:	REL
Processing site:	RCSB
Derived from:	5ZZ2