A1BFT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.43Å
O1	C2	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.52Å
C3	N1	sing	1.47Å	1.46Å
N1	C4	sing	1.47Å	1.48Å
C4	C5	sing	1.51Å	1.49Å
C5	C6	doub	1.34Å	1.34Å	Aromatic
C6	N2	sing	1.32Å	1.38Å	Aromatic
N2	C7	doub	1.29Å	1.31Å	Aromatic
C7	S1	sing	1.71Å	1.71Å	Aromatic
N1	C8	sing	1.47Å	1.46Å
C8	C9	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.52Å
C10	C11	sing	1.53Å	1.53Å
C2	C10	sing	1.53Å	1.53Å
C5	S1	sing	1.76Å	1.72Å	Aromatic
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C6	H9	sing	1.08Å	1.08Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C11	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
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C2	114.9°	114.1°
O1	C1	H1	109.5°	109.5°
O1	C1	H3	109.4°	109.5°
O1	C1	H2	109.5°	109.5°
O1	C2	C3	104.6°	109.5°
O1	C2	C10	113.2°	109.5°
O1	C2	H4	110.1°	109.5°
C2	C3	N1	108.2°	109.5°
C3	C2	C10	111.6°	109.3°
C3	C2	H4	108.7°	109.5°
C2	C3	H5	109.8°	109.4°
C2	C3	H6	109.8°	109.5°
C3	N1	C4	113.1°	111.0°
C3	N1	C8	108.8°	111.2°
N1	C3	H5	109.8°	109.5°
N1	C3	H6	109.8°	109.5°
N1	C4	C5	116.4°	109.5°
C4	N1	C8	113.7°	111.0°
N1	C4	H8	107.7°	109.4°
N1	C4	H7	107.7°	109.4°
C4	C5	C6	129.1°	126.1°
C4	C5	S1	122.3°	126.0°
C5	C4	H8	107.7°	109.5°
C5	C4	H7	107.7°	109.5°
C5	C6	N2	116.1°	114.5°
C6	C5	S1	108.5°	107.9°
C5	C6	H9	121.9°	122.7°
C6	N2	C7	107.6°	117.1°
N2	C6	H9	122.0°	122.7°
N2	C7	S1	115.8°	110.2°
N2	C7	H10	122.1°	124.9°
C7	S1	C5	88.8°	90.3°
S1	C7	H10	122.1°	124.9°
N1	C8	C9	110.8°	109.6°
N1	C8	H11	109.1°	109.4°
N1	C8	H12	109.1°	109.5°
C8	C9	C10	112.0°	109.2°
C9	C8	H11	109.1°	109.5°
C9	C8	H12	109.2°	109.5°
C8	C9	H13	108.9°	109.5°
C8	C9	H14	108.8°	109.5°
C9	C10	C11	110.9°	109.5°
C9	C10	C2	109.5°	109.2°
C9	C10	H15	107.9°	109.6°
C10	C9	H13	108.8°	109.5°
C10	C9	H14	108.9°	109.5°
C11	C10	C2	112.8°	109.5°
C11	C10	H15	107.8°	109.5°
C10	C11	H17	109.5°	109.5°
C10	C11	H16	109.5°	109.5°
C10	C11	H18	109.5°	109.5°
C2	C10	H15	107.8°	109.5°
C10	C2	H4	108.5°	109.5°
H8	C4	H7	109.5°	109.4°
H11	C8	H12	109.5°	109.4°
H1	C1	H3	109.5°	109.5°
H1	C1	H2	109.5°	109.4°
H3	C1	H2	109.5°	109.4°
H17	C11	H16	109.4°	109.4°
H17	C11	H18	109.4°	109.5°
H16	C11	H18	109.5°	109.5°
H5	C3	H6	109.4°	109.5°
H13	C9	H14	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O1	C2	C3	87.7°	90.0°
C1	O1	C2	C10	150.6°	150.2°
O1	C1	H1	H3	120.0°	120.0°
O1	C1	H1	H2	120.0°	120.0°
O1	C1	H3	H2	120.0°	120.0°
C1	O1	C2	H4	28.9°	30.1°
O1	C2	C3	C10	122.7°	120.0°
O1	C2	C3	H4	117.6°	120.1°
O1	C2	C3	N1	176.5°	179.2°
O1	C2	C10	C9	169.5°	177.6°
O1	C2	C10	C11	45.5°	57.7°
O1	C2	C10	H4	122.5°	120.1°
O1	C2	C10	H15	73.4°	62.4°
C2	O1	C1	H1	180.0°	60.0°
C2	O1	C1	H3	60.0°	60.0°
C2	O1	C1	H2	60.0°	180.0°
O1	C2	C3	H5	56.7°	59.1°
O1	C2	C3	H6	63.7°	60.8°
C2	C3	N1	H5	119.8°	120.0°
C2	C3	N1	H6	119.8°	120.0°
C2	C3	N1	C4	166.9°	174.2°
C2	C3	N1	C8	65.8°	61.7°
C3	C2	C10	C9	51.8°	57.7°
C3	C2	C10	C11	72.2°	62.3°
C3	C2	C10	H4	119.8°	120.0°
C3	C2	C10	H15	168.9°	177.6°
C2	C3	H5	H6	120.5°	119.9°
C3	N1	C4	C8	124.7°	124.2°
C3	N1	C4	C5	63.0°	169.7°
C3	N1	C8	C9	63.8°	61.8°
N1	C3	C2	C10	60.8°	59.2°
C3	N1	C4	H8	176.0°	49.7°
C3	N1	C4	H7	58.0°	70.3°
C3	N1	C8	H11	176.0°	178.2°
C3	N1	C8	H12	56.4°	58.3°
N1	C3	C2	H4	58.9°	60.8°
N1	C3	H5	H6	120.6°	120.0°
N1	C4	C5	H8	121.0°	120.0°
N1	C4	C5	H7	121.0°	120.0°
N1	C4	C5	C6	86.9°	90.0°
C4	N1	C8	C9	169.2°	174.1°
N1	C4	C5	S1	96.2°	90.3°
N1	C4	H8	H7	116.9°	119.9°
C4	N1	C8	H11	49.0°	54.1°
C4	N1	C8	H12	70.6°	65.8°
C4	N1	C3	H5	47.1°	65.9°
C4	N1	C3	H6	73.3°	54.1°
C4	C5	C6	S1	177.2°	179.7°
C4	C5	C6	N2	159.2°	180.0°
C4	C5	S1	C7	168.7°	180.0°
C5	C4	N1	C8	61.7°	66.1°
C5	C4	H8	H7	116.8°	120.0°
C4	C5	C6	H9	20.8°	0.1°
C5	C6	N2	H9	180.0°	179.9°
C5	C6	N2	C7	19.4°	0.0°
C6	C5	S1	C7	8.8°	0.3°
C6	C5	C4	H8	34.1°	30.0°
C6	C5	C4	H7	152.1°	150.0°
C6	N2	C7	S1	11.7°	0.3°
N2	C6	C5	S1	18.1°	0.2°
C6	N2	C7	H10	168.3°	179.9°
N2	C7	S1	H10	180.0°	179.6°
N2	C7	S1	C5	2.0°	0.3°
C7	N2	C6	H9	160.6°	179.9°
N1	C8	C9	H11	120.2°	120.0°
N1	C8	C9	H12	120.2°	120.1°
N1	C8	C9	C10	55.5°	59.2°
C8	N1	C4	H8	59.3°	173.9°
C8	N1	C4	H7	177.3°	53.9°
N1	C8	H11	H12	119.4°	119.9°
C8	N1	C3	H5	174.4°	58.3°
C8	N1	C3	H6	54.0°	178.3°
N1	C8	C9	H13	64.8°	60.7°
N1	C8	C9	H14	175.9°	179.1°
C8	C9	C10	H13	120.4°	119.9°
C8	C9	C10	H14	120.4°	119.9°
C8	C9	C10	C11	76.4°	62.3°
C8	C9	C10	C2	48.7°	57.7°
C9	C8	H11	H12	119.4°	120.0°
C8	C9	C10	H15	165.7°	177.6°
C8	C9	H13	H14	118.8°	120.1°
C9	C10	C11	C2	123.3°	119.7°
C9	C10	C11	H15	117.9°	120.2°
C9	C10	C2	H15	117.1°	120.0°
C10	C9	C8	H11	175.7°	179.2°
C10	C9	C8	H12	64.6°	60.9°
C9	C10	C11	H17	180.0°	179.9°
C9	C10	C11	H16	60.0°	60.2°
C9	C10	C11	H18	60.0°	59.8°
C9	C10	C2	H4	68.0°	62.3°
C10	C9	H13	H14	118.9°	120.2°
C11	C10	C2	H15	118.9°	120.1°
C10	C11	H17	H16	120.0°	120.0°
C10	C11	H17	H18	120.0°	120.1°
C10	C11	H16	H18	120.0°	120.0°
C11	C10	C2	H4	168.0°	177.8°
C11	C10	C9	H13	163.2°	177.9°
C11	C10	C9	H14	43.9°	57.7°
C2	C10	C11	H17	56.8°	60.2°
C2	C10	C11	H16	176.7°	179.9°
C2	C10	C11	H18	63.3°	59.9°
C10	C2	C3	H5	179.4°	60.9°
C10	C2	C3	H6	59.1°	179.2°
C2	C10	C9	H13	71.7°	62.2°
C2	C10	C9	H14	169.1°	177.6°
S1	C5	C4	H8	142.8°	149.7°
S1	C5	C4	H7	24.8°	29.7°
S1	C5	C6	H9	162.0°	179.8°
C5	S1	C7	H10	178.0°	179.9°
H11	C8	C9	H13	55.3°	59.3°
H11	C8	C9	H14	63.9°	60.9°
H12	C8	C9	H13	175.0°	179.2°
H12	C8	C9	H14	55.8°	59.1°
H15	C10	C11	H17	62.1°	59.9°
H15	C10	C11	H16	57.9°	60.0°
H15	C10	C11	H18	177.9°	180.0°
H15	C10	C2	H4	49.1°	57.7°
H15	C10	C9	H13	45.3°	57.7°
H15	C10	C9	H14	73.9°	62.5°
H1	C1	H3	H2	120.0°	120.0°
H17	C11	H16	H18	119.9°	120.0°
H4	C2	C3	H5	60.9°	179.2°
H4	C2	C3	H6	178.7°	59.3°

Release date:	2024-11-27
Definition date:	2024-11-04
Last modified:	2024-11-22
Release status:	REL
Processing site:	RCSB
Derived from:	7HN9