A1CJ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C14	sing	1.74Å	1.71Å
C14	C13	doub	1.38Å	1.41Å	Aromatic
C14	C15	sing	1.38Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.41Å	Aromatic
C15	C16	doub	1.38Å	1.41Å	Aromatic
C12	C11	doub	1.38Å	1.42Å	Aromatic
C16	C11	sing	1.38Å	1.41Å	Aromatic
C11	C3	sing	1.51Å	1.53Å
C2	C3	sing	1.53Å	1.55Å
C2	C1	sing	1.51Å	1.53Å
C3	N1	sing	1.46Å	1.46Å
O1	C1	doub	1.21Å	1.25Å
N1	C4	sing	1.35Å	1.34Å
C1	O3	sing	1.34Å	1.25Å
N2	C6	doub	1.32Å	1.34Å	Aromatic
N2	C5	sing	1.33Å	1.35Å	Aromatic
C6	N3	sing	1.32Å	1.34Å	Aromatic
C4	C5	sing	1.48Å	1.50Å
C4	O2	doub	1.22Å	1.23Å
C5	C8	doub	1.40Å	1.42Å	Aromatic
N3	C7	doub	1.33Å	1.36Å	Aromatic
C7	C8	sing	1.42Å	1.42Å	Aromatic
C7	N4	sing	1.37Å	1.37Å	Aromatic
C8	C9	sing	1.46Å	1.44Å	Aromatic
N4	C10	sing	1.37Å	1.38Å	Aromatic
C9	C10	doub	1.35Å	1.37Å	Aromatic
C3	H3	sing	1.09Å	1.10Å
C6	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C2	H1	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å
N4	H8	sing	0.97Å	1.00Å
O3	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C14	C13	120.5°	120.0°
CL1	C14	C15	119.1°	120.0°
C13	C14	C15	120.5°	120.0°
C14	C13	C12	119.5°	120.0°
C14	C13	H10	120.2°	120.0°
C14	C15	C16	120.1°	120.0°
C14	C15	H11	119.9°	120.0°
C13	C12	C11	120.3°	120.0°
C13	C12	H9	119.8°	120.0°
C12	C13	H10	120.3°	120.0°
C15	C16	C11	120.2°	120.0°
C16	C15	H11	120.0°	120.0°
C15	C16	H12	120.0°	120.0°
C12	C11	C16	119.4°	120.0°
C12	C11	C3	120.8°	120.0°
C11	C12	H9	119.8°	120.0°
C16	C11	C3	119.8°	119.9°
C11	C16	H12	119.9°	120.0°
C11	C3	C2	114.9°	109.4°
C11	C3	N1	109.9°	109.5°
C11	C3	H3	106.8°	109.4°
C3	C2	C1	113.3°	109.5°
C2	C3	N1	110.5°	109.5°
C2	C3	H3	106.7°	109.5°
C3	C2	H2	108.5°	109.4°
C3	C2	H1	108.5°	109.4°
C2	C1	O1	116.4°	120.0°
C2	C1	O3	118.7°	120.0°
C1	C2	H2	108.5°	109.5°
C1	C2	H1	108.5°	109.5°
C3	N1	C4	125.3°	120.0°
N1	C3	H3	107.7°	109.5°
C3	N1	H4	117.4°	120.1°
O1	C1	O3	124.9°	120.0°
N1	C4	C5	114.6°	120.0°
N1	C4	O2	123.7°	120.0°
C4	N1	H4	117.4°	120.0°
C1	O3	H13	109.5°	117.0°
C6	N2	C5	118.8°	121.1°
N2	C6	N3	128.9°	122.9°
N2	C6	H5	115.6°	118.6°
N2	C5	C4	118.2°	120.9°
N2	C5	C8	119.2°	118.1°
C6	N3	C7	111.7°	120.8°
N3	C6	H5	115.5°	118.5°
C5	C4	O2	121.6°	120.0°
C4	C5	C8	122.6°	121.0°
C5	C8	C7	115.3°	118.6°
C5	C8	C9	137.4°	135.3°
N3	C7	C8	126.1°	118.5°
N3	C7	N4	127.5°	134.5°
C8	C7	N4	106.4°	107.0°
C7	C8	C9	107.4°	106.1°
C7	N4	C10	110.4°	110.0°
C7	N4	H8	124.8°	125.0°
C8	C9	C10	106.9°	106.9°
C8	C9	H6	126.5°	126.6°
N4	C10	C9	109.0°	109.9°
N4	C10	H7	125.5°	125.0°
C10	N4	H8	124.8°	125.0°
C10	C9	H6	126.6°	126.5°
C9	C10	H7	125.5°	125.0°
H2	C2	H1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C14	C13	C15	179.4°	179.4°
CL1	C14	C13	C12	179.8°	180.0°
CL1	C14	C15	C16	179.9°	179.7°
CL1	C14	C13	H10	0.2°	0.0°
CL1	C14	C15	H11	0.1°	0.6°
C14	C13	C12	H10	180.0°	180.0°
C13	C14	C15	C16	0.7°	0.9°
C14	C13	C12	C11	0.3°	0.0°
C14	C13	C12	H9	179.7°	179.7°
C13	C14	C15	H11	179.3°	180.0°
C15	C14	C13	C12	0.8°	0.6°
C14	C15	C16	H11	180.0°	179.1°
C14	C15	C16	C11	0.3°	0.7°
C15	C14	C13	H10	179.2°	179.5°
C14	C15	C16	H12	179.7°	180.0°
C13	C12	C11	H9	180.0°	179.6°
C13	C12	C11	C16	0.1°	0.3°
C13	C12	C11	C3	179.4°	179.7°
C15	C16	C11	C12	0.1°	0.1°
C15	C16	C11	H12	180.0°	179.3°
C15	C16	C11	C3	179.5°	180.0°
C12	C11	C16	C3	179.3°	179.9°
C12	C11	C3	C2	100.6°	100.0°
C12	C11	C3	N1	24.7°	140.0°
C12	C11	C3	H3	141.2°	20.0°
C11	C12	C13	H10	179.7°	180.0°
C12	C11	C16	H12	179.9°	179.4°
C16	C11	C3	C2	80.0°	80.1°
C16	C11	C3	N1	154.6°	39.9°
C16	C11	C3	H3	38.1°	160.0°
C16	C11	C12	H9	179.9°	179.9°
C11	C16	C15	H11	179.7°	179.7°
C11	C3	C2	N1	125.0°	120.0°
C11	C3	C2	H3	118.2°	119.9°
C11	C3	C2	C1	160.0°	66.5°
C11	C3	N1	H3	116.0°	120.0°
C11	C3	N1	C4	106.5°	158.9°
C3	C11	C12	H9	0.5°	0.0°
C3	C11	C16	H12	0.5°	0.6°
C11	C3	C2	H2	79.5°	173.5°
C11	C3	C2	H1	39.4°	53.5°
C11	C3	N1	H4	73.5°	21.1°
C3	C2	C1	H2	120.6°	120.0°
C3	C2	C1	H1	120.5°	120.0°
C2	C3	N1	H3	116.1°	120.0°
C3	C2	C1	O1	124.1°	6.8°
C2	C3	N1	C4	125.6°	81.2°
C3	C2	C1	O3	57.2°	173.2°
C3	C2	H2	H1	118.3°	120.0°
C2	C3	N1	H4	54.4°	98.9°
C1	C2	C3	N1	75.0°	173.5°
C2	C1	O1	O3	178.6°	180.0°
C1	C2	C3	H3	41.7°	53.4°
C1	C2	H2	H1	118.3°	120.1°
C2	C1	O3	H13	178.6°	180.0°
C3	N1	C4	H4	180.0°	179.9°
C3	N1	C4	C5	178.1°	175.0°
C3	N1	C4	O2	2.7°	5.1°
N1	C3	C2	H2	45.5°	53.5°
N1	C3	C2	H1	164.4°	66.5°
O1	C1	C2	H2	3.5°	113.2°
O1	C1	C2	H1	115.4°	126.8°
O1	C1	O3	H13	0.0°	0.0°
N1	C4	C5	N2	17.0°	0.0°
N1	C4	C5	O2	179.2°	180.0°
N1	C4	C5	C8	163.4°	180.0°
C4	N1	C3	H3	9.5°	38.8°
O3	C1	C2	H2	177.8°	66.9°
O3	C1	C2	H1	63.3°	53.2°
N2	C6	N3	H5	180.0°	179.9°
C6	N2	C5	C4	179.9°	180.0°
C6	N2	C5	C8	0.5°	0.0°
N2	C6	N3	C7	1.3°	0.1°
C5	N2	C6	N3	1.0°	0.0°
N2	C5	C4	C8	179.6°	180.0°
N2	C5	C4	O2	163.8°	180.0°
N2	C5	C8	C7	1.3°	0.0°
N2	C5	C8	C9	179.9°	180.0°
C5	N2	C6	H5	179.1°	180.0°
C6	N3	C7	C8	0.2°	0.1°
C6	N3	C7	N4	179.9°	180.0°
C4	C5	C8	C7	179.1°	180.0°
C4	C5	C8	C9	0.5°	0.0°
C5	C4	N1	H4	2.0°	4.9°
O2	C4	C5	C8	15.8°	0.0°
O2	C4	N1	H4	177.2°	175.0°
C5	C8	C7	N3	1.0°	0.0°
C5	C8	C7	C9	179.0°	180.0°
C5	C8	C7	N4	178.9°	180.0°
C5	C8	C9	C10	179.1°	180.0°
C5	C8	C9	H6	0.9°	0.0°
N3	C7	C8	N4	179.9°	180.0°
N3	C7	C8	C9	180.0°	180.0°
N3	C7	N4	C10	179.5°	179.9°
C7	N3	C6	H5	178.7°	180.0°
N3	C7	N4	H8	0.5°	0.0°
C8	C7	N4	C10	0.6°	0.0°
C7	C8	C9	C10	0.4°	0.0°
C7	C8	C9	H6	179.6°	180.0°
C8	C7	N4	H8	179.4°	180.0°
N4	C7	C8	C9	0.1°	0.0°
C7	N4	C10	H8	180.0°	179.9°
C7	N4	C10	C9	0.9°	0.0°
C7	N4	C10	H7	179.1°	180.0°
C8	C9	C10	N4	0.8°	0.0°
C8	C9	C10	H6	180.0°	179.9°
C8	C9	C10	H7	179.2°	180.0°
N4	C10	C9	H7	180.0°	179.9°
N4	C10	C9	H6	179.2°	180.0°
C9	C10	N4	H8	179.1°	180.0°
H3	C3	C2	H2	162.3°	66.6°
H3	C3	C2	H1	78.8°	173.4°
H3	C3	N1	H4	170.5°	141.1°
H6	C9	C10	H7	0.8°	0.1°
H9	C12	C13	H10	0.3°	0.3°
H7	C10	N4	H8	0.9°	0.1°
H11	C15	C16	H12	0.3°	0.9°

Release date:	2025-09-17
Definition date:	2025-07-24
Last modified:	2025-09-12
Release status:	REL
Processing site:	RCSB
Derived from:	7IJ4