A1CVJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.51Å
C2	N1	sing	1.47Å	1.47Å
N1	C4	sing	1.35Å	1.36Å
C4	O1	doub	1.22Å	1.22Å
C4	N2	sing	1.35Å	1.36Å
N2	C5	sing	1.47Å	1.46Å
C5	C6	sing	1.53Å	1.51Å
C6	C7	sing	1.51Å	1.48Å
C7	S1	sing	1.76Å	1.73Å	Aromatic
S1	C8	sing	1.76Å	1.73Å	Aromatic
C8	C9	doub	1.33Å	1.34Å	Aromatic
C9	C10	sing	1.39Å	1.42Å	Aromatic
C7	C10	doub	1.35Å	1.34Å	Aromatic
C10	C11	sing	1.53Å	1.49Å
N2	C11	sing	1.47Å	1.47Å
C11	C12	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.08Å	1.08Å
C9	H14	sing	1.08Å	1.08Å
N1	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	110.8°	109.5°
C1	C2	N1	107.8°	109.4°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	108.0°	109.5°
C3	C2	N1	113.4°	109.5°
C3	C2	H4	108.1°	109.5°
C2	C3	H5	109.5°	109.5°
C2	C3	H6	109.5°	109.5°
C2	C3	H7	109.4°	109.5°
C2	N1	C4	141.2°	120.0°
N1	C2	H4	108.6°	109.5°
C2	N1	H8	109.4°	120.0°
N1	C4	O1	113.4°	120.0°
N1	C4	N2	128.4°	120.0°
C4	N1	H8	109.4°	120.0°
O1	C4	N2	118.2°	120.0°
C4	N2	C5	117.2°	120.9°
C4	N2	C11	126.2°	120.9°
N2	C5	C6	110.2°	108.6°
C5	N2	C11	116.4°	118.2°
N2	C5	H10	109.3°	109.6°
N2	C5	H9	109.3°	109.7°
C5	C6	C7	101.3°	109.1°
C6	C5	H10	109.3°	109.7°
C6	C5	H9	109.3°	109.7°
C5	C6	H11	111.5°	109.6°
C5	C6	H12	111.5°	109.6°
C6	C7	S1	124.9°	125.1°
C6	C7	C10	124.4°	125.1°
C7	C6	H11	111.4°	109.5°
C7	C6	H12	111.5°	109.5°
C7	S1	C8	92.5°	91.1°
S1	C7	C10	110.7°	109.8°
S1	C8	C9	109.3°	109.6°
S1	C8	H13	125.4°	125.2°
C8	C9	C10	114.9°	115.7°
C9	C8	H13	125.3°	125.2°
C8	C9	H14	122.5°	122.1°
C9	C10	C7	112.5°	113.8°
C9	C10	C11	128.7°	123.6°
C10	C9	H14	122.5°	122.2°
C7	C10	C11	118.5°	122.6°
C10	C11	N2	112.7°	107.8°
C10	C11	C12	108.2°	109.8°
C10	C11	H15	108.3°	109.8°
N2	C11	C12	111.0°	109.8°
N2	C11	H15	108.6°	109.9°
C12	C11	H15	107.8°	109.8°
C11	C12	H16	109.5°	109.5°
C11	C12	H17	109.4°	109.5°
C11	C12	H18	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.4°
H16	C12	H17	109.5°	109.5°
H16	C12	H18	109.4°	109.5°
H17	C12	H18	109.5°	109.4°
H5	C3	H6	109.5°	109.4°
H5	C3	H7	109.5°	109.5°
H6	C3	H7	109.5°	109.5°
H10	C5	H9	109.5°	109.6°
H11	C6	H12	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	N1	121.4°	120.0°
C1	C2	C3	H4	118.2°	120.0°
C1	C2	N1	H4	116.8°	120.0°
C1	C2	N1	C4	172.3°	155.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H5	180.0°	60.0°
C1	C2	C3	H6	60.0°	180.0°
C1	C2	C3	H7	60.0°	60.0°
C1	C2	N1	H8	7.7°	25.0°
C3	C2	N1	H4	120.2°	120.0°
C3	C2	N1	C4	64.6°	85.0°
C3	C2	C1	H1	180.0°	60.0°
C3	C2	C1	H2	60.0°	179.9°
C3	C2	C1	H3	60.0°	60.0°
C2	C3	H5	H6	120.0°	120.0°
C2	C3	H5	H7	120.0°	120.0°
C2	C3	H6	H7	120.0°	120.0°
C3	C2	N1	H8	115.3°	94.9°
C2	N1	C4	H8	180.0°	179.9°
C2	N1	C4	O1	170.0°	5.0°
C2	N1	C4	N2	10.9°	175.1°
N1	C2	C1	H1	55.4°	180.0°
N1	C2	C1	H2	64.6°	60.0°
N1	C2	C1	H3	175.4°	60.0°
N1	C2	C3	H5	58.6°	59.9°
N1	C2	C3	H6	178.7°	60.0°
N1	C2	C3	H7	61.4°	180.0°
N1	C4	O1	N2	179.2°	180.0°
N1	C4	N2	C5	139.8°	174.8°
N1	C4	N2	C11	46.3°	5.2°
C4	N1	C2	H4	55.5°	35.0°
O1	C4	N2	C5	41.1°	5.2°
O1	C4	N2	C11	132.8°	174.7°
O1	C4	N1	H8	10.0°	175.0°
C4	N2	C5	C11	174.5°	180.0°
C4	N2	C5	C6	123.4°	115.0°
C4	N2	C11	C10	170.6°	134.9°
C4	N2	C11	C12	49.0°	105.5°
C4	N2	C11	H15	69.4°	15.3°
C4	N2	C5	H10	3.3°	4.7°
C4	N2	C5	H9	116.5°	125.1°
N2	C4	N1	H8	169.1°	5.0°
N2	C5	C6	H10	120.1°	119.8°
N2	C5	C6	H9	120.1°	119.9°
N2	C5	C6	C7	64.9°	45.5°
C5	N2	C11	C10	3.3°	45.1°
C5	N2	C11	C12	124.9°	74.5°
C5	N2	C11	H15	116.7°	164.7°
N2	C5	H10	H9	119.7°	120.5°
N2	C5	C6	H11	53.7°	165.3°
N2	C5	C6	H12	176.4°	74.3°
C5	C6	C7	H11	118.7°	119.9°
C5	C6	C7	H12	118.7°	119.9°
C5	C6	C7	S1	142.2°	162.0°
C5	C6	C7	C10	38.4°	18.0°
C6	C5	N2	C11	51.1°	64.9°
C6	C5	H10	H9	119.6°	120.4°
C5	C6	H11	H12	123.8°	120.3°
C6	C7	S1	C10	179.5°	180.0°
C6	C7	S1	C8	179.5°	179.8°
C6	C7	C10	C9	179.6°	179.8°
C6	C7	C10	C11	6.5°	0.4°
C7	C6	C5	H10	174.9°	165.3°
C7	C6	C5	H9	55.2°	74.4°
C7	C6	H11	H12	123.8°	120.2°
C7	S1	C8	C9	0.9°	0.1°
S1	C7	C10	C9	0.9°	0.1°
S1	C7	C10	C11	173.0°	179.6°
S1	C7	C6	H11	99.2°	42.1°
S1	C7	C6	H12	23.5°	78.1°
C7	S1	C8	H13	179.1°	180.0°
S1	C8	C9	H13	180.0°	179.9°
S1	C8	C9	C10	0.6°	0.0°
C8	S1	C7	C10	1.0°	0.1°
S1	C8	C9	H14	179.4°	179.9°
C8	C9	C10	H14	180.0°	179.9°
C8	C9	C10	C7	0.2°	0.1°
C8	C9	C10	C11	172.9°	179.7°
C9	C10	C7	C11	173.9°	179.8°
C9	C10	C11	N2	161.0°	168.7°
C9	C10	C11	C12	75.8°	71.7°
C9	C10	C11	H15	40.8°	49.1°
C10	C9	C8	H13	179.4°	180.0°
C7	C10	C11	N2	26.3°	11.6°
C7	C10	C11	C12	96.9°	108.0°
C7	C10	C11	H15	146.4°	131.2°
C10	C7	C6	H11	80.3°	137.9°
C10	C7	C6	H12	157.1°	101.9°
C7	C10	C9	H14	179.8°	179.8°
C10	C11	N2	C12	121.6°	119.5°
C10	C11	N2	H15	120.0°	119.6°
C10	C11	C12	H15	116.9°	120.8°
C10	C11	C12	H16	180.0°	60.0°
C10	C11	C12	H17	60.0°	180.0°
C10	C11	C12	H18	60.0°	60.0°
C11	C10	C9	H14	7.1°	0.4°
N2	C11	C12	H15	118.9°	120.9°
N2	C11	C12	H16	55.8°	178.3°
N2	C11	C12	H17	64.2°	61.6°
N2	C11	C12	H18	175.8°	58.3°
C11	N2	C5	H10	171.2°	175.3°
C11	N2	C5	H9	69.0°	54.9°
C11	C12	H16	H17	120.0°	120.0°
C11	C12	H16	H18	120.0°	120.0°
C11	C12	H17	H18	120.0°	120.0°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H4	61.8°	60.1°
H2	C1	C2	H4	178.2°	60.0°
H3	C1	C2	H4	58.2°	180.0°
H15	C11	C12	H16	63.1°	60.8°
H15	C11	C12	H17	176.9°	59.3°
H15	C11	C12	H18	56.9°	179.2°
H16	C12	H17	H18	120.0°	120.0°
H4	C2	C3	H5	61.8°	180.0°
H4	C2	C3	H6	58.2°	60.0°
H4	C2	C3	H7	178.2°	60.0°
H4	C2	N1	H8	124.5°	145.0°
H5	C3	H6	H7	120.0°	120.0°
H10	C5	C6	H11	66.4°	74.9°
H10	C5	C6	H12	56.2°	45.4°
H9	C5	C6	H11	173.8°	45.4°
H9	C5	C6	H12	63.5°	165.7°
H13	C8	C9	H14	0.6°	0.2°

Release date:	2026-02-18
Definition date:	2025-09-23
Last modified:	2026-02-13
Release status:	REL
Processing site:	RCSB
Derived from:	13OM