A1BPD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.50Å
O	C1	doub	1.21Å	1.24Å
C1	N	sing	1.35Å	1.36Å
N	C2	sing	1.40Å	1.42Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.37Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C2	C7	sing	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.51Å	1.51Å
C8	C9	sing	1.51Å	1.52Å
O1	C9	doub	1.21Å	1.22Å
C9	N1	sing	1.35Å	1.35Å
N1	C10	sing	1.47Å	1.47Å
C10	C11	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.54Å
C13	C14	sing	1.51Å	1.52Å
N2	C14	sing	1.35Å	1.33Å
C14	O2	doub	1.21Å	1.24Å
C15	C13	sing	1.53Å	1.52Å
N1	C15	sing	1.47Å	1.46Å
C4	H6	sing	1.08Å	1.08Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
C8	H10	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C13	H	sing	1.09Å	1.10Å
C15	H19	sing	1.09Å	1.10Å
C15	H20	sing	1.09Å	1.10Å
N2	H18	sing	0.97Å	1.00Å
N2	H17	sing	0.97Å	1.00Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C3	H5	sing	1.08Å	1.08Å
N	H4	sing	0.97Å	1.00Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	122.0°	120.0°
C	C1	N	114.8°	120.0°
C1	C	H1	109.5°	109.4°
C1	C	H2	109.5°	109.5°
C1	C	H3	109.5°	109.5°
O	C1	N	123.1°	120.0°
C1	N	C2	128.8°	120.0°
C1	N	H4	115.6°	120.0°
N	C2	C3	121.1°	120.1°
N	C2	C7	118.8°	120.1°
C2	N	H4	115.6°	120.0°
C2	C3	C4	119.9°	119.9°
C3	C2	C7	120.0°	119.8°
C2	C3	H5	120.1°	120.0°
C3	C4	C5	120.5°	120.1°
C3	C4	H6	119.8°	119.9°
C4	C3	H5	120.0°	120.1°
C4	C5	C6	120.0°	120.1°
C5	C4	H6	119.8°	120.0°
C4	C5	H7	120.0°	120.0°
C5	C6	C7	120.8°	120.1°
C6	C5	H7	120.0°	119.9°
C5	C6	H8	119.6°	119.9°
C6	C7	C2	118.6°	120.0°
C6	C7	C8	119.6°	120.0°
C7	C6	H8	119.6°	120.0°
C2	C7	C8	121.3°	120.0°
C7	C8	C9	111.0°	109.5°
C7	C8	H10	109.1°	109.5°
C7	C8	H9	109.1°	109.5°
C8	C9	O1	121.0°	120.0°
C8	C9	N1	116.5°	120.0°
C9	C8	H10	109.1°	109.5°
C9	C8	H9	109.1°	109.5°
O1	C9	N1	122.2°	120.0°
C9	N1	C10	125.4°	120.7°
C9	N1	C15	120.0°	120.6°
N1	C10	C11	111.4°	108.7°
C10	N1	C15	114.6°	118.7°
N1	C10	H11	109.0°	109.6°
N1	C10	H12	109.0°	109.6°
C10	C11	C12	111.1°	109.3°
C11	C10	H11	109.0°	109.6°
C11	C10	H12	109.0°	109.5°
C10	C11	H13	109.1°	109.5°
C10	C11	H14	109.0°	109.6°
C11	C12	C13	110.4°	109.6°
C11	C12	H15	109.2°	109.4°
C11	C12	H16	109.2°	109.5°
C12	C11	H13	109.1°	109.5°
C12	C11	H14	109.1°	109.5°
C12	C13	C14	112.9°	109.5°
C12	C13	C15	108.8°	109.3°
C12	C13	H	106.4°	109.5°
C13	C12	H15	109.2°	109.5°
C13	C12	H16	109.3°	109.5°
C13	C14	N2	115.7°	120.0°
C13	C14	O2	120.9°	120.0°
C14	C13	C15	114.9°	109.5°
C14	C13	H	106.7°	109.6°
N2	C14	O2	123.3°	120.0°
C14	N2	H18	120.0°	119.9°
C14	N2	H17	120.0°	120.0°
C13	C15	N1	108.3°	108.8°
C15	C13	H	106.6°	109.5°
C13	C15	H19	109.8°	109.6°
C13	C15	H20	109.8°	109.6°
N1	C15	H19	109.8°	109.6°
N1	C15	H20	109.8°	109.6°
H10	C8	H9	109.5°	109.5°
H11	C10	H12	109.5°	109.7°
H19	C15	H20	109.5°	109.7°
H18	N2	H17	120.0°	120.0°
H15	C12	H16	109.5°	109.4°
H13	C11	H14	109.5°	109.5°
H1	C	H2	109.4°	109.4°
H1	C	H3	109.5°	109.5°
H2	C	H3	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	N	177.1°	180.0°
C	C1	N	C2	173.3°	175.5°
C	C1	N	H4	6.7°	4.5°
C1	C	H1	H2	120.0°	120.0°
C1	C	H1	H3	120.0°	120.0°
C1	C	H2	H3	120.0°	120.0°
O	C1	N	C2	4.0°	4.5°
O	C1	N	H4	176.0°	175.5°
O	C1	C	H1	0.0°	180.0°
O	C1	C	H2	120.0°	60.1°
O	C1	C	H3	120.0°	60.0°
C1	N	C2	H4	180.0°	180.0°
C1	N	C2	C3	41.9°	34.7°
C1	N	C2	C7	141.4°	144.8°
N	C1	C	H1	177.3°	0.0°
N	C1	C	H2	62.7°	119.9°
N	C1	C	H3	57.3°	120.0°
N	C2	C3	C7	176.7°	179.5°
N	C2	C3	C4	173.2°	180.0°
N	C2	C7	C6	170.9°	179.8°
N	C2	C7	C8	17.4°	0.2°
N	C2	C3	H5	6.8°	0.5°
C2	C3	C4	H5	180.0°	179.5°
C2	C3	C4	C5	1.2°	0.5°
C3	C2	C7	C6	5.9°	0.3°
C3	C2	C7	C8	165.9°	179.7°
C2	C3	C4	H6	178.8°	179.7°
C3	C2	N	H4	138.1°	145.3°
C3	C4	C5	H6	180.0°	179.8°
C3	C4	C5	C6	3.5°	0.3°
C4	C3	C2	C7	3.5°	0.5°
C3	C4	C5	H7	176.5°	179.8°
C4	C5	C6	H7	180.0°	179.9°
C4	C5	C6	C7	0.9°	0.0°
C4	C5	C6	H8	179.0°	180.0°
C5	C4	C3	H5	178.8°	180.0°
C5	C6	C7	H8	180.0°	180.0°
C5	C6	C7	C2	3.7°	0.0°
C5	C6	C7	C8	168.2°	180.0°
C6	C5	C4	H6	176.5°	180.0°
C6	C7	C2	C8	171.8°	180.0°
C6	C7	C8	C9	34.2°	95.0°
C7	C6	C5	H7	179.0°	180.0°
C6	C7	C8	H10	154.4°	25.0°
C6	C7	C8	H9	86.1°	145.0°
C2	C7	C8	C9	137.5°	85.0°
C2	C7	C6	H8	176.3°	180.0°
C2	C7	C8	H10	17.3°	155.0°
C2	C7	C8	H9	102.2°	35.0°
C7	C2	C3	H5	176.5°	180.0°
C7	C2	N	H4	38.6°	35.2°
C7	C8	C9	H10	120.2°	120.0°
C7	C8	C9	H9	120.3°	120.0°
C7	C8	C9	O1	80.5°	0.0°
C7	C8	C9	N1	106.2°	180.0°
C8	C7	C6	H8	11.8°	0.0°
C7	C8	H10	H9	119.3°	120.0°
C8	C9	O1	N1	172.9°	180.0°
C8	C9	N1	C10	12.4°	0.0°
C8	C9	N1	C15	170.1°	179.7°
C9	C8	H10	H9	119.3°	120.0°
O1	C9	N1	C10	174.4°	180.0°
O1	C9	N1	C15	3.1°	0.3°
O1	C9	C8	H10	39.7°	120.0°
O1	C9	C8	H9	159.3°	120.1°
C9	N1	C10	C15	177.6°	179.7°
C9	N1	C10	C11	122.8°	126.1°
C9	N1	C15	C13	117.0°	126.1°
N1	C9	C8	H10	133.5°	60.0°
N1	C9	C8	H9	14.0°	60.0°
C9	N1	C10	H11	116.9°	114.1°
C9	N1	C10	H12	2.5°	6.4°
C9	N1	C15	H19	123.2°	6.3°
C9	N1	C15	H20	2.8°	114.1°
N1	C10	C11	H11	120.3°	119.8°
N1	C10	C11	H12	120.3°	119.7°
N1	C10	C11	C12	49.5°	54.7°
C10	N1	C15	C13	60.8°	53.6°
N1	C10	H11	H12	119.1°	120.4°
C10	N1	C15	H19	59.0°	173.4°
C10	N1	C15	H20	179.4°	66.2°
N1	C10	C11	H13	169.8°	174.6°
N1	C10	C11	H14	70.8°	65.3°
C10	C11	C12	H13	120.3°	119.9°
C10	C11	C12	H14	120.2°	120.0°
C10	C11	C12	C13	52.8°	61.4°
C11	C10	N1	C15	54.8°	53.7°
C11	C10	H11	H12	119.1°	120.3°
C10	C11	C12	H15	67.3°	178.5°
C10	C11	C12	H16	173.0°	58.7°
C10	C11	H13	H14	119.2°	120.1°
C11	C12	C13	H15	120.1°	120.0°
C11	C12	C13	H16	120.1°	120.1°
C11	C12	C13	C14	172.1°	178.7°
C11	C12	C13	C15	59.1°	61.4°
C12	C11	C10	H11	70.8°	65.2°
C12	C11	C10	H12	169.8°	174.4°
C11	C12	C13	H	55.4°	58.5°
C11	C12	H15	H16	119.6°	119.9°
C12	C11	H13	H14	119.3°	120.1°
C12	C13	C14	C15	125.6°	119.8°
C12	C13	C14	H	116.5°	120.2°
C12	C13	C14	N2	94.0°	179.9°
C12	C13	C14	O2	89.2°	0.2°
C12	C13	C15	H	114.4°	120.0°
C12	C13	C15	N1	61.3°	54.6°
C12	C13	C15	H19	58.5°	174.4°
C12	C13	C15	H20	178.9°	65.1°
C13	C12	H15	H16	119.6°	120.0°
C13	C12	C11	H13	173.1°	178.7°
C13	C12	C11	H14	67.4°	58.6°
C13	C14	N2	O2	176.6°	180.0°
C14	C13	C15	H	118.0°	120.1°
C14	C13	C15	N1	171.0°	174.6°
C14	C13	C15	H19	69.1°	65.6°
C14	C13	C15	H20	51.2°	54.8°
C13	C14	N2	H18	176.6°	0.0°
C13	C14	N2	H17	3.4°	179.9°
C14	C13	C12	H15	67.8°	58.7°
C14	C13	C12	H16	52.0°	61.2°
N2	C14	C13	C15	140.4°	60.1°
N2	C14	C13	H	22.4°	59.9°
C14	N2	H18	H17	180.0°	179.9°
O2	C14	C13	C15	36.3°	120.0°
O2	C14	C13	H	154.3°	120.0°
O2	C14	N2	H18	0.0°	180.0°
O2	C14	N2	H17	180.0°	0.0°
C13	C15	N1	H19	119.8°	119.8°
C13	C15	N1	H20	119.8°	119.8°
C13	C15	H19	H20	120.5°	120.4°
C15	C13	C12	H15	61.0°	178.6°
C15	C13	C12	H16	179.2°	58.7°
C15	N1	C10	H11	65.4°	66.2°
C15	N1	C10	H12	175.1°	173.4°
N1	C15	C13	H	53.0°	65.3°
N1	C15	H19	H20	120.6°	120.3°
H6	C4	C5	H7	3.5°	0.0°
H6	C4	C3	H5	1.2°	0.3°
H7	C5	C6	H8	1.0°	0.0°
H11	C10	C11	H13	49.5°	54.8°
H11	C10	C11	H14	168.9°	174.9°
H12	C10	C11	H13	69.9°	65.7°
H12	C10	C11	H14	49.5°	54.4°
H	C13	C15	H19	172.9°	54.5°
H	C13	C15	H20	66.8°	174.9°
H	C13	C12	H15	175.5°	61.5°
H	C13	C12	H16	64.7°	178.6°
H15	C12	C11	H13	53.0°	58.6°
H15	C12	C11	H14	172.5°	61.4°
H16	C12	C11	H13	66.8°	61.2°
H16	C12	C11	H14	52.7°	178.7°
H1	C	H2	H3	120.0°	120.0°

Release date:	2025-02-26
Definition date:	2025-01-13
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HY0