A1DC1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C6	doub	1.22Å	1.23Å
C26	C5	sing	1.51Å	1.49Å
C6	C5	sing	1.47Å	1.46Å
C6	N7	sing	1.35Å	1.40Å
C5	C4	doub	1.36Å	1.36Å
N7	C8	sing	1.35Å	1.39Å
C4	N9	sing	1.38Å	1.38Å
C4	C2	sing	1.48Å	1.52Å
C8	O10	doub	1.22Å	1.23Å
C8	N9	sing	1.34Å	1.38Å
CL25	C19	sing	1.74Å	1.76Å
O3	C2	doub	1.21Å	1.24Å
C2	N1	sing	1.35Å	1.35Å
C18	C19	doub	1.38Å	1.40Å	Aromatic
C18	C17	sing	1.39Å	1.41Å	Aromatic
C15	C16	sing	1.53Å	1.52Å
C15	N14	sing	1.47Å	1.47Å
C19	C20	sing	1.38Å	1.40Å	Aromatic
C16	N1	sing	1.47Å	1.47Å
N1	C12	sing	1.47Å	1.47Å
C17	N14	sing	1.40Å	1.40Å
C17	C22	doub	1.39Å	1.41Å	Aromatic
N14	C13	sing	1.47Å	1.47Å
C13	C12	sing	1.53Å	1.53Å
C20	CL24	sing	1.74Å	1.74Å
C20	C21	doub	1.39Å	1.40Å	Aromatic
C22	C21	sing	1.38Å	1.38Å	Aromatic
C21	CL23	sing	1.74Å	1.76Å
C12	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C16	H8	sing	1.09Å	1.10Å
C16	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
C26	H12	sing	1.09Å	1.10Å
C26	H13	sing	1.09Å	1.10Å
C26	H14	sing	1.09Å	1.10Å
N7	H15	sing	0.97Å	1.00Å
N9	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C6	C5	123.2°	120.5°
O11	C6	N7	120.5°	120.6°
C26	C5	C6	116.6°	120.9°
C26	C5	C4	125.0°	120.7°
C5	C26	H12	109.5°	109.5°
C5	C26	H13	109.5°	109.4°
C5	C26	H14	109.5°	109.5°
C5	C6	N7	116.2°	118.9°
C6	C5	C4	118.3°	118.4°
C6	N7	C8	125.9°	120.4°
C6	N7	H15	117.1°	119.9°
C5	C4	N9	121.4°	119.4°
C5	C4	C2	125.0°	120.3°
N7	C8	O10	123.3°	119.1°
N7	C8	N9	113.9°	121.8°
C8	N7	H15	117.1°	119.8°
N9	C4	C2	113.6°	120.3°
C4	N9	C8	124.2°	121.2°
C4	N9	H1	117.9°	119.4°
C4	C2	O3	116.7°	119.9°
C4	C2	N1	119.3°	120.0°
O10	C8	N9	122.7°	119.1°
C8	N9	H1	117.9°	119.4°
CL25	C19	C18	117.8°	120.0°
CL25	C19	C20	120.3°	120.0°
O3	C2	N1	124.0°	120.1°
C2	N1	C16	125.7°	120.9°
C2	N1	C12	120.0°	120.8°
C19	C18	C17	120.3°	119.9°
C18	C19	C20	121.8°	120.1°
C19	C18	H10	119.8°	120.1°
C18	C17	N14	122.4°	120.0°
C18	C17	C22	118.0°	119.9°
C17	C18	H10	119.8°	120.0°
C16	C15	N14	110.2°	109.4°
C15	C16	N1	110.0°	108.5°
C16	C15	H6	109.3°	109.5°
C16	C15	H7	109.3°	109.5°
C15	C16	H8	109.3°	109.6°
C15	C16	H9	109.3°	109.6°
C15	N14	C17	117.2°	111.0°
C15	N14	C13	111.5°	111.1°
N14	C15	H6	109.3°	109.6°
N14	C15	H7	109.3°	109.4°
C19	C20	CL24	122.4°	120.0°
C19	C20	C21	117.1°	120.1°
C16	N1	C12	113.7°	118.3°
N1	C16	H8	109.3°	109.6°
N1	C16	H9	109.3°	109.7°
N1	C12	C13	112.0°	108.5°
N1	C12	H2	108.8°	109.6°
N1	C12	H3	108.9°	109.7°
N14	C17	C22	119.6°	120.0°
C17	N14	C13	116.8°	110.9°
C17	C22	C21	120.6°	119.9°
C17	C22	H11	119.7°	120.1°
N14	C13	C12	111.5°	109.3°
N14	C13	H4	109.0°	109.5°
N14	C13	H5	109.0°	109.5°
C13	C12	H2	108.9°	109.6°
C13	C12	H3	108.8°	109.8°
C12	C13	H4	108.9°	109.5°
C12	C13	H5	108.9°	109.5°
CL24	C20	C21	120.5°	119.9°
C20	C21	C22	122.2°	120.0°
C20	C21	CL23	119.6°	120.0°
C22	C21	CL23	118.2°	120.0°
C21	C22	H11	119.7°	120.0°
H2	C12	H3	109.4°	109.6°
H4	C13	H5	109.5°	109.5°
H6	C15	H7	109.5°	109.5°
H8	C16	H9	109.5°	109.8°
H12	C26	H13	109.5°	109.5°
H12	C26	H14	109.5°	109.5°
H13	C26	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C6	C5	C26	0.5°	0.2°
O11	C6	C5	N7	179.8°	179.8°
O11	C6	C5	C4	180.0°	180.0°
O11	C6	N7	C8	179.3°	179.7°
O11	C6	N7	H15	0.7°	0.2°
C26	C5	C6	C4	179.5°	179.8°
C26	C5	C6	N7	179.7°	179.9°
C26	C5	C4	N9	179.9°	180.0°
C26	C5	C4	C2	0.0°	0.0°
C5	C26	H12	H13	120.0°	119.9°
C5	C26	H12	H14	120.0°	120.1°
C5	C26	H13	H14	120.0°	120.0°
C5	C6	N7	C8	0.5°	0.1°
C6	C5	C4	N9	0.7°	0.2°
C6	C5	C4	C2	179.5°	179.8°
C6	C5	C26	H12	180.0°	85.7°
C6	C5	C26	H13	60.0°	34.3°
C6	C5	C26	H14	60.0°	154.3°
C5	C6	N7	H15	179.5°	179.9°
N7	C6	C5	C4	0.2°	0.2°
C6	N7	C8	H15	180.0°	180.0°
C6	N7	C8	O10	179.5°	180.0°
C6	N7	C8	N9	0.7°	0.4°
C5	C4	N9	C2	179.8°	180.0°
C5	C4	N9	C8	0.5°	0.0°
C5	C4	C2	O3	86.0°	92.2°
C5	C4	C2	N1	93.2°	87.8°
C4	C5	C26	H12	0.5°	94.6°
C4	C5	C26	H13	119.5°	145.5°
C4	C5	C26	H14	120.5°	25.5°
C5	C4	N9	H1	179.5°	179.9°
N7	C8	N9	C4	0.2°	0.3°
N7	C8	O10	N9	179.8°	179.6°
N7	C8	N9	H1	179.8°	179.8°
C4	N9	C8	O10	180.0°	180.0°
C4	N9	C8	H1	180.0°	179.9°
N9	C4	C2	O3	94.2°	87.8°
N9	C4	C2	N1	86.6°	92.2°
C2	C4	N9	C8	179.7°	180.0°
C4	C2	O3	N1	179.2°	180.0°
C4	C2	N1	C16	7.3°	4.7°
C4	C2	N1	C12	177.8°	175.0°
C2	C4	N9	H1	0.3°	0.1°
O10	C8	N7	H15	0.5°	0.1°
O10	C8	N9	H1	0.0°	0.1°
N9	C8	N7	H15	179.3°	179.7°
CL25	C19	C18	C20	179.7°	180.0°
CL25	C19	C18	C17	179.7°	180.0°
CL25	C19	C20	CL24	0.1°	0.0°
CL25	C19	C20	C21	179.6°	180.0°
CL25	C19	C18	H10	0.3°	0.1°
O3	C2	N1	C16	171.8°	175.3°
O3	C2	N1	C12	1.3°	5.0°
C2	N1	C16	C15	116.8°	128.8°
C2	N1	C16	C12	171.0°	179.7°
C2	N1	C12	C13	121.1°	128.8°
C2	N1	C12	H2	118.5°	111.5°
C2	N1	C12	H3	0.8°	8.9°
C2	N1	C16	H8	123.2°	9.2°
C2	N1	C16	H9	3.3°	111.5°
C19	C18	C17	H10	180.0°	179.9°
C19	C18	C17	N14	179.6°	180.0°
C19	C18	C17	C22	0.0°	0.2°
C18	C19	C20	CL24	179.8°	180.0°
C18	C19	C20	C21	0.1°	0.0°
C18	C17	N14	C15	5.2°	0.2°
C17	C18	C19	C20	0.0°	0.0°
C18	C17	N14	C22	179.6°	179.7°
C18	C17	N14	C13	130.9°	124.3°
C18	C17	C22	C21	0.0°	0.5°
C18	C17	C22	H11	180.0°	179.7°
C16	C15	N14	H6	120.1°	120.0°
C16	C15	N14	H7	120.1°	119.9°
C15	C16	N1	H8	120.0°	119.6°
C15	C16	N1	H9	120.1°	119.7°
C15	C16	N1	C12	54.3°	50.9°
C16	C15	N14	C17	162.3°	172.7°
C16	C15	N14	C13	59.4°	63.4°
C16	C15	H6	H7	119.6°	120.0°
C15	C16	H8	H9	119.8°	120.5°
N14	C15	C16	N1	58.0°	53.9°
C15	N14	C17	C13	136.1°	124.0°
C15	N14	C17	C22	174.4°	180.0°
C15	N14	C13	C12	55.1°	63.4°
C15	N14	C13	H4	65.2°	176.7°
C15	N14	C13	H5	175.4°	56.6°
N14	C15	H6	H7	119.7°	120.1°
N14	C15	C16	H8	62.0°	173.5°
N14	C15	C16	H9	178.1°	65.9°
C19	C20	CL24	C21	179.7°	180.0°
C19	C20	C21	C22	0.1°	0.3°
C19	C20	C21	CL23	180.0°	180.0°
C20	C19	C18	H10	179.9°	180.0°
C16	N1	C12	C13	50.4°	50.9°
C16	N1	C12	H2	70.0°	68.8°
C16	N1	C12	H3	170.8°	170.8°
N1	C16	C15	H6	62.1°	66.2°
N1	C16	C15	H7	178.2°	173.8°
N1	C16	H8	H9	119.8°	120.5°
N1	C12	C13	N14	49.7°	53.8°
N1	C12	C13	H2	120.4°	119.7°
N1	C12	C13	H3	120.4°	119.8°
N1	C12	H2	H3	118.8°	120.4°
N1	C12	C13	H4	70.6°	173.7°
N1	C12	C13	H5	170.0°	66.1°
C12	N1	C16	H8	65.8°	170.5°
C12	N1	C16	H9	174.3°	68.8°
C17	N14	C13	C12	166.4°	172.7°
N14	C17	C22	C21	179.6°	179.7°
C17	N14	C13	H4	73.3°	52.8°
C17	N14	C13	H5	46.2°	67.3°
C17	N14	C15	H6	77.6°	67.3°
C17	N14	C15	H7	42.2°	52.8°
N14	C17	C18	H10	0.4°	0.0°
N14	C17	C22	H11	0.4°	0.0°
C22	C17	N14	C13	49.5°	56.0°
C17	C22	C21	C20	0.1°	0.6°
C17	C22	C21	H11	180.0°	179.7°
C17	C22	C21	CL23	180.0°	179.7°
C22	C17	C18	H10	180.0°	179.7°
N14	C13	C12	H4	120.3°	119.9°
N14	C13	C12	H5	120.3°	120.0°
N14	C13	C12	H2	70.7°	65.9°
N14	C13	C12	H3	170.1°	173.7°
N14	C13	H4	H5	119.1°	120.1°
C13	N14	C15	H6	60.7°	56.6°
C13	N14	C15	H7	179.5°	176.7°
C13	C12	H2	H3	118.8°	120.6°
C12	C13	H4	H5	119.1°	120.1°
CL24	C20	C21	C22	179.8°	179.7°
CL24	C20	C21	CL23	0.3°	0.0°
C20	C21	C22	CL23	179.9°	179.7°
C20	C21	C22	H11	180.0°	179.7°
CL23	C21	C22	H11	0.1°	0.0°
H2	C12	C13	H4	169.0°	54.0°
H2	C12	C13	H5	49.6°	174.2°
H3	C12	C13	H4	49.8°	66.4°
H3	C12	C13	H5	69.6°	53.7°
H6	C15	C16	H8	177.9°	53.5°
H6	C15	C16	H9	58.0°	174.1°
H7	C15	C16	H8	58.1°	66.6°
H7	C15	C16	H9	61.8°	54.0°
H12	C26	H13	H14	120.0°	120.0°

Release date:	2026-09-09
Definition date:	2026-04-20
Last modified:	2026-09-04
Release status:	REL
Processing site:	RCSB
Derived from:	12TA