A1EIX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	N02	sing	1.47Å	1.46Å
N02	C03	sing	1.46Å	1.45Å
N02	C04	sing	1.35Å	1.46Å
C04	O05	doub	1.21Å	1.19Å
C04	C06	sing	1.51Å	1.54Å
C06	C07	sing	1.53Å	1.54Å
C07	S08	sing	1.81Å	1.81Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C09	S08	sing	1.81Å	1.81Å
C09	C10	sing	1.51Å	1.52Å
C09	S29	sing	1.81Å	1.81Å
C30	C31	sing	1.53Å	1.54Å
C30	S29	sing	1.81Å	1.82Å
C10	C15	doub	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.40Å	1.39Å	Aromatic
C31	C32	sing	1.51Å	1.54Å
C15	C14	sing	1.40Å	1.39Å	Aromatic
C14	C16	sing	1.47Å	1.55Å
O34	C32	doub	1.21Å	1.26Å
C32	O33	sing	1.34Å	1.26Å
C16	C17	doub	1.34Å	1.33Å
C17	C18	sing	1.47Å	1.57Å
C28	C18	doub	1.41Å	1.39Å	Aromatic
C28	C27	sing	1.36Å	1.38Å	Aromatic
C18	N19	sing	1.32Å	1.32Å	Aromatic
C27	C21	doub	1.41Å	1.41Å	Aromatic
N19	C20	doub	1.33Å	1.35Å	Aromatic
C21	C20	sing	1.42Å	1.37Å	Aromatic
C21	C22	sing	1.40Å	1.41Å	Aromatic
C20	C25	sing	1.41Å	1.42Å	Aromatic
C22	C23	doub	1.36Å	1.39Å	Aromatic
C25	C24	doub	1.36Å	1.39Å	Aromatic
C23	C24	sing	1.39Å	1.39Å	Aromatic
C24	CL26	sing	1.74Å	1.78Å
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C28	H6	sing	1.08Å	1.08Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C01	H9	sing	1.09Å	1.10Å
C03	H10	sing	1.09Å	1.10Å
C03	H11	sing	1.09Å	1.10Å
C03	H12	sing	1.09Å	1.10Å
C06	H13	sing	1.09Å	1.10Å
C06	H14	sing	1.09Å	1.10Å
C07	H15	sing	1.09Å	1.10Å
C07	H16	sing	1.09Å	1.10Å
C09	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.08Å	1.08Å
C12	H19	sing	1.08Å	1.08Å
C16	H20	sing	1.08Å	1.08Å
C23	H22	sing	1.08Å	1.08Å
C25	H23	sing	1.08Å	1.08Å
C27	H24	sing	1.08Å	1.08Å
C30	H25	sing	1.09Å	1.10Å
C30	H26	sing	1.09Å	1.10Å
C31	H27	sing	1.09Å	1.10Å
C31	H28	sing	1.09Å	1.10Å
O33	H29	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	N02	C03	121.2°	120.0°
C01	N02	C04	120.7°	120.0°
N02	C01	H7	109.5°	109.5°
N02	C01	H8	109.5°	109.5°
N02	C01	H9	109.5°	109.5°
C03	N02	C04	118.0°	120.0°
N02	C03	H10	109.5°	109.5°
N02	C03	H11	109.4°	109.4°
N02	C03	H12	109.5°	109.5°
N02	C04	O05	121.3°	120.0°
N02	C04	C06	117.7°	120.0°
O05	C04	C06	121.0°	120.0°
C04	C06	C07	109.3°	109.5°
C04	C06	H13	109.5°	109.4°
C04	C06	H14	109.5°	109.5°
C06	C07	S08	107.4°	109.5°
C07	C06	H13	109.5°	109.5°
C07	C06	H14	109.5°	109.5°
C06	C07	H15	110.0°	109.5°
C06	C07	H16	110.0°	109.4°
C07	S08	C09	102.1°	103.0°
S08	C07	H15	110.0°	109.5°
S08	C07	H16	110.0°	109.5°
C12	C11	C10	119.8°	120.3°
C11	C12	C13	119.0°	120.2°
C12	C11	H18	120.1°	119.8°
C11	C12	H19	120.5°	119.9°
C11	C10	C09	118.7°	119.9°
C11	C10	C15	121.7°	120.1°
C10	C11	H18	120.1°	119.8°
C12	C13	C14	121.1°	119.8°
C12	C13	H1	119.4°	120.1°
C13	C12	H19	120.5°	119.9°
S08	C09	C10	106.5°	109.5°
S08	C09	S29	107.2°	109.4°
S08	C09	H17	108.0°	109.5°
C10	C09	S29	115.2°	109.5°
C09	C10	C15	119.6°	119.9°
C10	C09	H17	111.6°	109.5°
C09	S29	C30	108.4°	103.0°
S29	C09	H17	108.0°	109.4°
C31	C30	S29	110.0°	109.5°
C30	C31	C32	113.3°	109.4°
C31	C30	H25	109.3°	109.5°
C31	C30	H26	109.3°	109.5°
C30	C31	H27	108.5°	109.5°
C30	C31	H28	108.5°	109.4°
S29	C30	H25	109.3°	109.4°
S29	C30	H26	109.3°	109.5°
C10	C15	C14	118.2°	119.9°
C10	C15	H2	120.9°	120.0°
C13	C14	C15	120.2°	119.7°
C13	C14	C16	116.7°	120.1°
C14	C13	H1	119.4°	120.1°
C31	C32	O34	119.6°	120.0°
C31	C32	O33	121.0°	120.0°
C32	C31	H27	108.5°	109.5°
C32	C31	H28	108.5°	109.5°
C15	C14	C16	123.1°	120.2°
C14	C15	H2	120.9°	120.1°
C14	C16	C17	127.0°	120.0°
C14	C16	H20	116.5°	120.0°
O34	C32	O33	119.3°	120.0°
C32	O33	H29	109.5°	117.0°
C16	C17	C18	96.2°	120.0°
C16	C17	H3	131.9°	120.0°
C17	C16	H20	116.5°	120.0°
C17	C18	C28	115.2°	119.3°
C17	C18	N19	123.8°	119.3°
C18	C17	H3	131.9°	120.0°
C18	C28	C27	118.6°	119.8°
C28	C18	N19	120.9°	121.4°
C18	C28	H6	120.7°	120.1°
C28	C27	C21	118.8°	118.4°
C27	C28	H6	120.7°	120.1°
C28	C27	H24	120.6°	120.8°
C18	N19	C20	122.5°	121.3°
C27	C21	C20	120.0°	119.2°
C27	C21	C22	119.2°	121.2°
C21	C27	H24	120.6°	120.8°
N19	C20	C21	119.2°	119.9°
N19	C20	C25	121.2°	121.0°
C20	C21	C22	120.7°	119.6°
C21	C20	C25	119.5°	119.1°
C21	C22	C23	119.9°	119.7°
C21	C22	H5	120.0°	120.2°
C20	C25	C24	119.6°	119.7°
C20	C25	H23	120.2°	120.1°
C22	C23	C24	119.8°	120.9°
C23	C22	H5	120.1°	120.1°
C22	C23	H22	120.1°	119.6°
C25	C24	C23	120.4°	121.0°
C25	C24	CL26	121.1°	119.5°
C24	C25	H23	120.2°	120.1°
C23	C24	CL26	118.6°	119.5°
C24	C23	H22	120.1°	119.6°
H7	C01	H8	109.5°	109.4°
H7	C01	H9	109.5°	109.5°
H8	C01	H9	109.5°	109.5°
H10	C03	H11	109.5°	109.5°
H10	C03	H12	109.5°	109.4°
H11	C03	H12	109.5°	109.5°
H13	C06	H14	109.5°	109.4°
H15	C07	H16	109.5°	109.5°
H25	C30	H26	109.4°	109.4°
H27	C31	H28	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	N02	C03	C04	179.5°	180.0°
C01	N02	C04	O05	0.6°	0.0°
C01	N02	C04	C06	179.9°	180.0°
N02	C01	H7	H8	120.0°	120.0°
N02	C01	H7	H9	120.0°	120.0°
N02	C01	H8	H9	120.0°	120.0°
C01	N02	C03	H10	180.0°	90.0°
C01	N02	C03	H11	60.0°	150.0°
C01	N02	C03	H12	60.0°	30.0°
C03	N02	C04	O05	179.9°	180.0°
C03	N02	C04	C06	0.6°	0.0°
C03	N02	C01	H7	180.0°	90.0°
C03	N02	C01	H8	60.0°	150.0°
C03	N02	C01	H9	60.0°	30.0°
N02	C03	H10	H11	120.0°	120.0°
N02	C03	H10	H12	120.0°	120.0°
N02	C03	H11	H12	120.0°	120.0°
N02	C04	O05	C06	179.3°	179.9°
N02	C04	C06	C07	106.5°	180.0°
C04	N02	C01	H7	0.5°	90.0°
C04	N02	C01	H8	119.5°	30.0°
C04	N02	C01	H9	120.5°	150.0°
C04	N02	C03	H10	0.5°	90.0°
C04	N02	C03	H11	120.5°	30.0°
C04	N02	C03	H12	119.5°	150.0°
N02	C04	C06	H13	13.4°	60.0°
N02	C04	C06	H14	133.5°	59.9°
O05	C04	C06	C07	72.7°	0.1°
O05	C04	C06	H13	167.3°	120.1°
O05	C04	C06	H14	47.2°	120.0°
C04	C06	C07	H13	120.0°	120.0°
C04	C06	C07	H14	119.9°	120.1°
C04	C06	C07	S08	142.6°	180.0°
C04	C06	H13	H14	120.1°	120.0°
C04	C06	C07	H15	22.9°	60.0°
C04	C06	C07	H16	97.7°	59.9°
C06	C07	S08	H15	119.7°	120.0°
C06	C07	S08	H16	119.7°	120.0°
C06	C07	S08	C09	78.7°	174.9°
C07	C06	H13	H14	120.1°	120.0°
C06	C07	H15	H16	121.0°	120.0°
C07	S08	C09	C10	147.8°	174.3°
C07	S08	C09	S29	88.4°	65.7°
S08	C07	C06	H13	97.5°	60.0°
S08	C07	C06	H14	22.6°	60.0°
S08	C07	H15	H16	121.0°	120.0°
C07	S08	C09	H17	27.8°	54.2°
C12	C11	C10	H18	180.0°	179.9°
C11	C12	C13	H19	180.0°	180.0°
C12	C11	C10	C09	179.2°	179.7°
C12	C11	C10	C15	0.9°	0.1°
C11	C12	C13	C14	0.8°	0.3°
C11	C12	C13	H1	179.2°	179.8°
C10	C11	C12	C13	0.6°	0.1°
C11	C10	C09	S08	147.1°	59.6°
C11	C10	C09	C15	178.4°	179.6°
C11	C10	C09	S29	94.2°	60.3°
C11	C10	C15	C14	0.1°	0.3°
C11	C10	C15	H2	179.9°	179.7°
C11	C10	C09	H17	29.5°	179.7°
C10	C11	C12	H19	179.5°	180.0°
C12	C13	C14	H1	180.0°	179.5°
C12	C13	C14	C15	1.8°	0.5°
C12	C13	C14	C16	178.7°	180.0°
C13	C12	C11	H18	179.4°	179.9°
S08	C09	C10	S29	118.7°	120.0°
S08	C09	C10	H17	117.7°	120.1°
S08	C09	S29	H17	116.2°	120.0°
S08	C09	S29	C30	105.0°	164.2°
S08	C09	C10	C15	31.2°	120.0°
C09	S08	C07	H15	41.0°	54.9°
C09	S08	C07	H16	161.6°	65.1°
C10	C09	S29	H17	125.5°	120.0°
C10	C09	S29	C30	136.6°	75.8°
C09	C10	C15	C14	178.2°	179.9°
C09	C10	C15	H2	1.8°	0.1°
C09	C10	C11	H18	0.8°	0.4°
C09	S29	C30	C31	133.2°	175.0°
S29	C09	C10	C15	87.5°	120.0°
C09	S29	C30	H25	13.1°	65.0°
C09	S29	C30	H26	106.7°	55.0°
C31	C30	S29	H25	120.1°	120.0°
C31	C30	S29	H26	120.1°	120.0°
C30	C31	C32	H27	120.6°	120.0°
C30	C31	C32	H28	120.6°	119.9°
C30	C31	C32	O34	101.8°	0.1°
C30	C31	C32	O33	78.6°	180.0°
C31	C30	H25	H26	119.7°	120.0°
C30	C31	H27	H28	118.3°	120.0°
S29	C30	C31	C32	74.1°	180.0°
C30	S29	C09	H17	11.1°	44.2°
S29	C30	H25	H26	119.7°	119.9°
S29	C30	C31	H27	165.3°	60.0°
S29	C30	C31	H28	46.4°	60.0°
C10	C15	C14	C13	1.4°	0.5°
C10	C15	C14	H2	180.0°	180.0°
C10	C15	C14	C16	178.1°	180.0°
C15	C10	C09	H17	148.9°	0.1°
C15	C10	C11	H18	179.1°	180.0°
C13	C14	C15	C16	176.7°	179.5°
C13	C14	C16	C17	134.2°	0.0°
C13	C14	C15	H2	178.6°	179.5°
C14	C13	C12	H19	179.2°	179.8°
C13	C14	C16	H20	45.8°	180.0°
C31	C32	O34	O33	179.6°	179.9°
C32	C31	C30	H25	165.8°	60.0°
C32	C31	C30	H26	46.0°	60.0°
C32	C31	H27	H28	118.2°	120.0°
C31	C32	O33	H29	179.5°	180.0°
C15	C14	C16	C17	49.0°	179.5°
C15	C14	C13	H1	178.2°	180.0°
C15	C14	C16	H20	131.0°	0.5°
C14	C16	C17	H20	180.0°	180.0°
C14	C16	C17	C18	179.7°	180.0°
C16	C14	C13	H1	1.3°	0.5°
C16	C14	C15	H2	1.9°	0.0°
C14	C16	C17	H3	0.3°	0.0°
O34	C32	C31	H27	18.7°	120.0°
O34	C32	C31	H28	137.6°	120.0°
O34	C32	O33	H29	0.0°	0.1°
O33	C32	C31	H27	160.8°	59.9°
O33	C32	C31	H28	41.9°	60.1°
C16	C17	C18	H3	180.0°	180.0°
C16	C17	C18	C28	47.6°	180.0°
C16	C17	C18	N19	128.8°	0.3°
C17	C18	C28	N19	176.5°	179.7°
C17	C18	C28	C27	177.7°	180.0°
C17	C18	N19	C20	178.0°	179.7°
C17	C18	C28	H6	2.3°	0.4°
C18	C17	C16	H20	0.3°	0.0°
C18	C28	C27	H6	180.0°	179.6°
C18	C28	C27	C21	0.1°	0.3°
C28	C18	N19	C20	1.8°	0.1°
C28	C18	C17	H3	132.4°	0.0°
C18	C28	C27	H24	179.9°	180.0°
C27	C28	C18	N19	1.2°	0.4°
C28	C27	C21	H24	180.0°	179.6°
C28	C27	C21	C20	0.5°	0.0°
C28	C27	C21	C22	179.4°	179.9°
C18	N19	C20	C21	1.2°	0.3°
C18	N19	C20	C25	178.7°	179.9°
N19	C18	C17	H3	51.2°	179.7°
N19	C18	C28	H6	178.8°	179.9°
C27	C21	C20	N19	0.1°	0.3°
C27	C21	C20	C22	179.9°	179.9°
C27	C21	C20	C25	179.8°	180.0°
C27	C21	C22	C23	179.7°	180.0°
C27	C21	C22	H5	0.3°	0.1°
C21	C27	C28	H6	180.0°	179.9°
N19	C20	C21	C25	179.9°	179.7°
N19	C20	C21	C22	179.9°	179.8°
N19	C20	C25	C24	179.7°	179.7°
N19	C20	C25	H23	0.2°	0.3°
C20	C21	C22	C23	0.2°	0.1°
C21	C20	C25	C24	0.1°	0.0°
C20	C21	C22	H5	179.8°	180.0°
C21	C20	C25	H23	179.9°	180.0°
C20	C21	C27	H24	179.6°	179.6°
C22	C21	C20	C25	0.0°	0.1°
C21	C22	C23	H5	180.0°	179.9°
C21	C22	C23	C24	0.1°	0.0°
C21	C22	C23	H22	179.9°	179.9°
C22	C21	C27	H24	0.6°	0.3°
C20	C25	C24	H23	180.0°	180.0°
C20	C25	C24	C23	0.2°	0.1°
C20	C25	C24	CL26	180.0°	180.0°
C22	C23	C24	C25	0.1°	0.1°
C22	C23	C24	H22	180.0°	179.9°
C22	C23	C24	CL26	179.9°	180.0°
C25	C24	C23	CL26	179.9°	179.9°
C25	C24	C23	H22	180.0°	180.0°
C24	C23	C22	H5	179.9°	179.9°
C23	C24	C25	H23	179.8°	179.9°
CL26	C24	C23	H22	0.1°	0.1°
CL26	C24	C25	H23	0.0°	0.0°
H1	C13	C12	H19	0.8°	0.3°
H3	C17	C16	H20	179.7°	NaN°
H5	C22	C23	H22	0.1°	0.0°
H6	C28	C27	H24	0.1°	0.5°
H7	C01	H8	H9	120.0°	120.0°
H10	C03	H11	H12	120.0°	120.0°
H13	C06	C07	H15	142.9°	180.0°
H13	C06	C07	H16	22.2°	60.0°
H14	C06	C07	H15	97.0°	60.0°
H14	C06	C07	H16	142.3°	180.0°
H18	C11	C12	H19	0.5°	0.1°
H25	C30	C31	H27	45.2°	180.0°
H25	C30	C31	H28	73.7°	60.0°
H26	C30	C31	H27	74.6°	60.0°
H26	C30	C31	H28	166.5°	180.0°

Release date:	2026-04-01
Definition date:	2025-01-02
Last modified:	2026-03-27
Release status:	REL
Processing site:	PDBC
Derived from:	9JCS