5X9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C32	N31	sing	1.47Å	1.46Å
O24	C22	doub	1.22Å	1.24Å
O23	C22	sing	1.35Å	1.27Å
N31	C30	sing	1.35Å	1.34Å	Aromatic
N31	N33	sing	1.29Å	1.34Å	Aromatic
C22	C21	sing	1.47Å	1.49Å
C30	C29	doub	1.35Å	1.36Å	Aromatic
N33	N34	doub	1.29Å	1.32Å	Aromatic
C29	N34	sing	1.34Å	1.38Å	Aromatic
C29	C28	sing	1.51Å	1.49Å
C21	C20	sing	1.41Å	1.41Å	Aromatic
C21	C25	doub	1.38Å	1.39Å	Aromatic
C28	C26	sing	1.53Å	1.51Å
C28	C27	sing	1.53Å	1.50Å
C20	N19	doub	1.30Å	1.32Å	Aromatic
C25	C26	sing	1.51Å	1.47Å
C25	N18	sing	1.35Å	1.38Å	Aromatic
C26	C27	sing	1.53Å	1.50Å
N19	N18	sing	1.40Å	1.37Å	Aromatic
N18	C16	sing	1.40Å	1.44Å
C1	N2	sing	1.46Å	1.46Å
C3	N2	sing	1.46Å	1.46Å
N2	C4	sing	1.35Å	1.37Å
C16	C17	doub	1.39Å	1.38Å	Aromatic
C16	C15	sing	1.39Å	1.38Å	Aromatic
C17	C12	sing	1.39Å	1.39Å	Aromatic
C4	O5	doub	1.22Å	1.22Å
C4	C6	sing	1.48Å	1.50Å
C15	C14	doub	1.38Å	1.39Å	Aromatic
C11	C6	doub	1.39Å	1.39Å	Aromatic
C11	C10	sing	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.40Å	1.39Å	Aromatic
C12	C10	sing	1.48Å	1.48Å
C12	C13	doub	1.39Å	1.39Å	Aromatic
C10	C9	doub	1.39Å	1.39Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
C1	H38	sing	1.09Å	1.10Å
C1	H39	sing	1.09Å	1.10Å
C1	H37	sing	1.09Å	1.10Å
C3	H41	sing	1.09Å	1.10Å
C3	H42	sing	1.09Å	1.10Å
C3	H40	sing	1.09Å	1.10Å
C7	H43	sing	1.08Å	1.08Å
C8	H44	sing	1.08Å	1.08Å
C11	H46	sing	1.08Å	1.08Å
C13	H47	sing	1.08Å	1.08Å
C14	H48	sing	1.08Å	1.08Å
C15	H49	sing	1.08Å	1.08Å
C26	H35	sing	1.09Å	1.10Å
C27	H52	sing	1.09Å	1.10Å
C27	H53	sing	1.09Å	1.10Å
C28	H36	sing	1.09Å	1.10Å
C9	H45	sing	1.08Å	1.08Å
C17	H50	sing	1.08Å	1.08Å
C20	H51	sing	1.08Å	1.08Å
O23	H1	sing	0.97Å	0.95Å
C30	H54	sing	1.08Å	1.08Å
C32	H56	sing	1.09Å	1.10Å
C32	H57	sing	1.09Å	1.10Å
C32	H55	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C32	N31	C30	128.0°	125.8°
C32	N31	N33	119.8°	125.9°
N31	C32	H56	109.5°	109.5°
N31	C32	H57	109.5°	109.4°
N31	C32	H55	109.5°	109.5°
O24	C22	O23	124.2°	120.0°
O24	C22	C21	118.0°	120.1°
O23	C22	C21	117.8°	120.0°
C22	O23	H1	109.5°	117.0°
C30	N31	N33	112.2°	108.3°
N31	C30	C29	104.7°	106.1°
N31	C30	H54	127.7°	127.0°
N31	N33	N34	106.6°	110.2°
C22	C21	C20	126.5°	126.5°
C22	C21	C25	128.1°	126.4°
C30	C29	N34	108.3°	106.5°
C30	C29	C28	131.3°	126.7°
C29	C30	H54	127.6°	126.9°
N33	N34	C29	108.3°	108.9°
N34	C29	C28	120.5°	126.8°
C29	C28	C26	122.5°	117.5°
C29	C28	C27	121.3°	117.5°
C29	C28	H36	114.4°	115.5°
C20	C21	C25	105.4°	107.2°
C21	C20	N19	112.4°	108.1°
C21	C20	H51	123.8°	126.0°
C21	C25	C26	129.8°	126.3°
C21	C25	N18	105.8°	107.3°
C26	C28	C27	59.7°	60.0°
C28	C26	C25	120.8°	117.5°
C28	C26	C27	59.6°	60.0°
C28	C26	H35	114.5°	117.6°
C26	C28	H36	113.9°	117.5°
C28	C27	C26	60.6°	60.0°
C28	C27	H52	119.9°	117.5°
C28	C27	H53	119.9°	117.5°
C27	C28	H36	114.2°	117.5°
C20	N19	N18	104.8°	108.9°
N19	C20	H51	123.8°	125.9°
C26	C25	N18	124.4°	126.3°
C25	C26	C27	120.4°	117.5°
C25	C26	H35	115.4°	115.5°
C25	N18	N19	111.7°	108.5°
C25	N18	C16	129.7°	125.8°
C27	C26	H35	114.8°	117.5°
C26	C27	H52	119.9°	117.5°
C26	C27	H53	119.9°	117.5°
N19	N18	C16	118.6°	125.8°
N18	C16	C17	119.0°	120.0°
N18	C16	C15	121.0°	120.0°
C1	N2	C3	115.5°	120.0°
C1	N2	C4	121.3°	120.0°
N2	C1	H38	109.5°	109.5°
N2	C1	H39	109.5°	109.5°
N2	C1	H37	109.5°	109.5°
C3	N2	C4	122.8°	120.0°
N2	C3	H41	109.5°	109.5°
N2	C3	H42	109.5°	109.5°
N2	C3	H40	109.5°	109.5°
N2	C4	O5	121.1°	120.0°
N2	C4	C6	119.6°	120.0°
C17	C16	C15	120.1°	120.0°
C16	C17	C12	121.3°	119.8°
C16	C17	H50	119.3°	120.1°
C16	C15	C14	119.7°	120.1°
C16	C15	H49	120.1°	119.9°
C17	C12	C10	119.3°	120.1°
C17	C12	C13	118.3°	119.8°
C12	C17	H50	119.4°	120.1°
O5	C4	C6	119.4°	120.0°
C4	C6	C11	115.6°	120.1°
C4	C6	C7	125.5°	120.1°
C15	C14	C13	120.1°	120.2°
C15	C14	H48	120.0°	119.9°
C14	C15	H49	120.1°	119.9°
C6	C11	C10	121.7°	119.7°
C11	C6	C7	118.9°	119.8°
C6	C11	H46	119.2°	120.1°
C11	C10	C12	118.8°	120.0°
C11	C10	C9	118.3°	119.9°
C10	C11	H46	119.1°	120.2°
C6	C7	C8	120.4°	120.1°
C6	C7	H43	119.8°	120.0°
C10	C12	C13	122.4°	120.1°
C12	C10	C9	122.9°	120.1°
C12	C13	C14	120.5°	120.0°
C12	C13	H47	119.7°	120.0°
C10	C9	C8	120.8°	120.2°
C10	C9	H45	119.6°	119.8°
C7	C8	C9	120.0°	120.3°
C8	C7	H43	119.8°	120.0°
C7	C8	H44	120.0°	119.9°
C14	C13	H47	119.7°	120.0°
C13	C14	H48	120.0°	119.8°
C9	C8	H44	120.0°	119.8°
C8	C9	H45	119.6°	119.9°
H38	C1	H39	109.5°	109.5°
H38	C1	H37	109.4°	109.5°
H39	C1	H37	109.5°	109.4°
H41	C3	H42	109.5°	109.5°
H41	C3	H40	109.5°	109.5°
H42	C3	H40	109.4°	109.5°
H52	C27	H53	109.5°	115.6°
H56	C32	H57	109.5°	109.5°
H56	C32	H55	109.4°	109.5°
H57	C32	H55	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C32	N31	C30	N33	180.0°	179.9°
C32	N31	C30	C29	180.0°	180.0°
C32	N31	N33	N34	180.0°	180.0°
C32	N31	C30	H54	0.0°	0.1°
N31	C32	H56	H57	120.0°	120.0°
N31	C32	H56	H55	120.0°	120.0°
N31	C32	H57	H55	120.0°	119.9°
O24	C22	O23	C21	179.9°	179.9°
O24	C22	C21	C20	28.3°	174.7°
O24	C22	C21	C25	151.8°	5.3°
O24	C22	O23	H1	0.0°	0.1°
O23	C22	C21	C20	151.6°	5.4°
O23	C22	C21	C25	28.3°	174.6°
N31	C30	C29	H54	180.0°	179.9°
C30	N31	N33	N34	0.1°	0.0°
N31	C30	C29	N34	0.0°	0.0°
N31	C30	C29	C28	180.0°	179.7°
C30	N31	C32	H56	179.9°	90.0°
C30	N31	C32	H57	60.1°	150.0°
C30	N31	C32	H55	59.9°	30.1°
N33	N31	C30	C29	0.0°	0.0°
N31	N33	N34	C29	0.0°	0.0°
N33	N31	C30	H54	180.0°	179.9°
N33	N31	C32	H56	0.0°	89.9°
N33	N31	C32	H57	120.0°	30.1°
N33	N31	C32	H55	120.0°	150.0°
C22	C21	C20	C25	180.0°	180.0°
C22	C21	C20	N19	180.0°	180.0°
C22	C21	C25	C26	0.1°	0.1°
C22	C21	C25	N18	180.0°	179.9°
C22	C21	C20	H51	0.0°	0.0°
C21	C22	O23	H1	179.9°	180.0°
C30	C29	N34	N33	0.0°	0.0°
C30	C29	N34	C28	180.0°	179.7°
C30	C29	C28	C26	53.3°	84.7°
C30	C29	C28	C27	125.1°	16.1°
C30	C29	C28	H36	91.4°	129.6°
N33	N34	C29	C28	179.9°	179.7°
N34	C29	C28	C26	126.8°	95.0°
N34	C29	C28	C27	54.9°	163.6°
N34	C29	C28	H36	88.5°	50.7°
N34	C29	C30	H54	180.0°	179.9°
C29	C28	C26	C27	110.0°	107.5°
C29	C28	C26	H36	144.9°	144.9°
C29	C28	C27	H36	143.5°	145.0°
C29	C28	C26	C25	140.5°	145.0°
C29	C28	C26	H35	4.6°	0.1°
C29	C28	C27	H52	2.2°	145.1°
C29	C28	C27	H53	138.5°	0.0°
C28	C29	C30	H54	0.0°	0.3°
C21	C20	N19	H51	180.0°	180.0°
C20	C21	C25	C26	179.9°	179.9°
C20	C21	C25	N18	0.1°	0.1°
C21	C20	N19	N18	0.0°	0.1°
C21	C25	C26	C28	54.0°	48.9°
C25	C21	C20	N19	0.0°	0.0°
C21	C25	C26	N18	179.9°	180.0°
C21	C25	C26	C27	124.6°	117.5°
C21	C25	N18	N19	0.1°	0.2°
C21	C25	N18	C16	179.9°	180.0°
C21	C25	C26	H35	90.8°	96.9°
C25	C21	C20	H51	180.0°	180.0°
C26	C28	C27	H36	104.6°	107.5°
C28	C26	C25	C27	70.6°	68.6°
C28	C26	C25	H35	144.8°	145.8°
C28	C26	C25	N18	125.8°	131.0°
C28	C26	C27	H35	105.0°	107.6°
C26	C28	C27	H52	109.6°	107.5°
C26	C28	C27	H53	109.7°	107.5°
C28	C27	H52	H53	144.4°	145.7°
C20	N19	N18	C25	0.0°	0.2°
C20	N19	N18	C16	179.9°	180.0°
C25	C26	C27	H35	144.8°	144.9°
C26	C25	N18	N19	180.0°	179.8°
C26	C25	N18	C16	0.2°	0.0°
C25	C26	C27	H52	140.2°	0.0°
C25	C26	C27	H53	0.5°	145.0°
C25	C26	C28	H36	4.4°	0.0°
N18	C25	C26	C27	55.3°	62.4°
C25	N18	N19	C16	179.9°	179.8°
C25	N18	C16	C17	43.2°	145.0°
C25	N18	C16	C15	137.0°	35.6°
N18	C25	C26	H35	89.3°	83.2°
C26	C27	H52	H53	144.4°	145.7°
N19	N18	C16	C17	136.6°	35.3°
N19	N18	C16	C15	43.2°	144.2°
N18	N19	C20	H51	180.0°	179.9°
N18	C16	C17	C15	179.8°	179.5°
N18	C16	C17	C12	179.9°	180.0°
N18	C16	C15	C14	179.9°	179.7°
N18	C16	C15	H49	0.1°	0.3°
N18	C16	C17	H50	0.1°	0.5°
C1	N2	C3	C4	172.7°	180.0°
C1	N2	C4	O5	14.6°	5.4°
C1	N2	C4	C6	165.4°	174.7°
N2	C1	H38	H39	120.0°	120.0°
N2	C1	H38	H37	120.0°	120.0°
N2	C1	H39	H37	120.0°	120.0°
C1	N2	C3	H41	180.0°	86.3°
C1	N2	C3	H42	60.0°	153.7°
C1	N2	C3	H40	60.0°	33.7°
C3	N2	C4	O5	157.8°	174.7°
C3	N2	C4	C6	22.3°	5.3°
C3	N2	C1	H38	180.0°	90.0°
C3	N2	C1	H39	60.0°	150.0°
C3	N2	C1	H37	60.0°	30.0°
N2	C3	H41	H42	120.0°	120.0°
N2	C3	H41	H40	120.0°	120.0°
N2	C3	H42	H40	120.0°	120.0°
N2	C4	O5	C6	179.9°	180.0°
N2	C4	C6	C11	99.8°	146.0°
N2	C4	C6	C7	80.3°	34.3°
C4	N2	C1	H38	7.2°	90.0°
C4	N2	C1	H39	112.9°	30.0°
C4	N2	C1	H37	127.1°	149.9°
C4	N2	C3	H41	7.2°	93.7°
C4	N2	C3	H42	127.3°	26.3°
C4	N2	C3	H40	112.8°	146.3°
C16	C17	C12	H50	180.0°	179.5°
C17	C16	C15	C14	0.1°	0.2°
C16	C17	C12	C10	179.9°	179.8°
C16	C17	C12	C13	0.0°	0.6°
C17	C16	C15	H49	179.9°	179.8°
C15	C16	C17	C12	0.1°	0.5°
C16	C15	C14	H49	180.0°	180.0°
C16	C15	C14	C13	0.0°	0.0°
C16	C15	C14	H48	180.0°	180.0°
C15	C16	C17	H50	180.0°	180.0°
C17	C12	C10	C11	58.5°	179.7°
C17	C12	C10	C13	179.9°	179.7°
C17	C12	C10	C9	121.5°	0.3°
C17	C12	C13	C14	0.1°	0.3°
C17	C12	C13	H47	180.0°	179.7°
O5	C4	C6	C11	80.2°	34.0°
O5	C4	C6	C7	99.8°	145.8°
C4	C6	C11	C7	179.9°	179.7°
C4	C6	C11	C10	180.0°	179.7°
C4	C6	C7	C8	180.0°	179.7°
C4	C6	C7	H43	0.0°	0.3°
C4	C6	C11	H46	0.0°	0.3°
C15	C14	C13	C12	0.0°	0.0°
C15	C14	C13	H48	180.0°	180.0°
C15	C14	C13	H47	180.0°	180.0°
C6	C11	C10	H46	180.0°	180.0°
C6	C11	C10	C12	180.0°	180.0°
C6	C11	C10	C9	0.0°	0.0°
C11	C6	C7	C8	0.1°	0.0°
C11	C6	C7	H43	179.9°	180.0°
C10	C11	C6	C7	0.0°	0.0°
C11	C10	C12	C9	180.0°	180.0°
C11	C10	C12	C13	121.4°	0.0°
C11	C10	C9	C8	0.0°	0.0°
C11	C10	C9	H45	180.0°	180.0°
C6	C7	C8	H43	180.0°	180.0°
C6	C7	C8	C9	0.1°	0.1°
C6	C7	C8	H44	179.9°	180.0°
C7	C6	C11	H46	180.0°	180.0°
C10	C12	C13	C14	179.9°	180.0°
C12	C10	C9	C8	180.0°	179.9°
C12	C10	C11	H46	0.0°	0.0°
C10	C12	C13	H47	0.1°	0.0°
C12	C10	C9	H45	0.0°	0.0°
C10	C12	C17	H50	0.1°	0.3°
C13	C12	C10	C9	58.7°	NaN°
C12	C13	C14	H47	180.0°	180.0°
C12	C13	C14	H48	179.9°	180.0°
C13	C12	C17	H50	180.0°	179.9°
C10	C9	C8	C7	0.0°	0.1°
C10	C9	C8	H45	180.0°	179.9°
C10	C9	C8	H44	179.9°	180.0°
C9	C10	C11	H46	180.0°	180.0°
C7	C8	C9	H44	180.0°	179.9°
C7	C8	C9	H45	180.0°	180.0°
C13	C14	C15	H49	180.0°	180.0°
C9	C8	C7	H43	179.9°	179.9°
H38	C1	H39	H37	119.9°	119.9°
H41	C3	H42	H40	120.0°	120.0°
H43	C7	C8	H44	0.1°	0.0°
H44	C8	C9	H45	0.0°	0.1°
H47	C13	C14	H48	0.1°	0.0°
H48	C14	C15	H49	0.0°	0.0°
H35	C26	C27	H52	4.6°	144.9°
H35	C26	C27	H53	145.3°	0.1°
H35	C26	C28	H36	149.5°	145.0°
H52	C27	C28	H36	145.8°	0.0°
H53	C27	C28	H36	5.1°	145.0°
H56	C32	H57	H55	120.0°	120.0°

Release date:	2021-11-17
Definition date:	2021-07-14
Last modified:	2021-11-12
Release status:	REL
Processing site:	PDBE
Derived from:	7P5I