A1BFR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.47Å
N1	C2	sing	1.47Å	1.46Å
N1	C3	sing	1.35Å	1.32Å
C3	O1	doub	1.22Å	1.23Å
C3	N2	sing	1.35Å	1.35Å
N2	C4	sing	1.47Å	1.47Å
C4	C5	sing	1.53Å	1.50Å
C5	O2	sing	1.43Å	1.42Å
O2	C6	sing	1.43Å	1.43Å
C6	C7	sing	1.52Å	1.52Å
C7	C8	sing	1.54Å	1.56Å
C8	C9	sing	1.54Å	1.51Å
C9	O3	sing	1.44Å	1.42Å
O3	C10	sing	1.45Å	1.44Å
N2	C7	sing	1.46Å	1.51Å
C7	C10	sing	1.54Å	1.54Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	114.5°	120.0°
C1	N1	C3	118.2°	120.0°
N1	C1	H1	109.5°	109.5°
N1	C1	H2	109.5°	109.4°
N1	C1	H3	109.5°	109.4°
C2	N1	C3	127.2°	120.0°
N1	C2	H5	109.5°	109.5°
N1	C2	H6	109.5°	109.4°
N1	C2	H4	109.5°	109.5°
N1	C3	O1	120.0°	120.0°
N1	C3	N2	120.8°	120.0°
O1	C3	N2	119.1°	120.0°
C3	N2	C4	121.2°	121.0°
C3	N2	C7	118.9°	121.0°
N2	C4	C5	111.6°	108.2°
C4	N2	C7	119.8°	117.9°
N2	C4	H7	108.9°	109.7°
N2	C4	H8	108.9°	109.7°
C4	C5	O2	111.1°	109.4°
C5	C4	H7	108.9°	109.7°
C5	C4	H8	108.9°	109.7°
C4	C5	H9	109.0°	109.5°
C4	C5	H10	109.0°	109.5°
C5	O2	C6	111.5°	114.1°
O2	C5	H9	109.1°	109.5°
O2	C5	H10	109.1°	109.5°
O2	C6	C7	110.7°	109.3°
O2	C6	H11	109.2°	109.5°
O2	C6	H12	109.2°	109.5°
C6	C7	C8	108.3°	110.8°
C6	C7	N2	109.5°	110.6°
C6	C7	C10	111.3°	110.7°
C7	C6	H11	109.1°	109.5°
C7	C6	H12	109.2°	109.5°
C7	C8	C9	104.6°	103.9°
C8	C7	N2	113.5°	110.7°
C8	C7	C10	102.3°	103.1°
C7	C8	H14	110.7°	110.5°
C7	C8	H13	110.7°	110.6°
C8	C9	O3	105.1°	107.3°
C9	C8	H14	110.7°	110.5°
C9	C8	H13	110.7°	110.5°
C8	C9	H16	110.6°	109.9°
C8	C9	H15	110.6°	109.9°
C9	O3	C10	104.5°	107.1°
O3	C9	H16	110.6°	109.8°
O3	C9	H15	110.5°	109.9°
O3	C10	C7	105.1°	103.4°
O3	C10	H18	110.5°	110.6°
O3	C10	H17	110.6°	110.7°
N2	C7	C10	111.8°	110.7°
C7	C10	H18	110.6°	110.6°
C7	C10	H17	110.6°	110.6°
H7	C4	H8	109.5°	109.7°
H9	C5	H10	109.4°	109.5°
H11	C6	H12	109.4°	109.5°
H14	C8	H13	109.5°	110.6°
H18	C10	H17	109.5°	110.6°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H5	C2	H6	109.5°	109.5°
H5	C2	H4	109.5°	109.5°
H6	C2	H4	109.5°	109.5°
H16	C9	H15	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C3	178.2°	179.8°
C1	N1	C3	O1	39.4°	172.5°
C1	N1	C3	N2	137.2°	7.4°
N1	C1	H1	H2	120.0°	120.0°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H2	H3	120.0°	119.9°
C1	N1	C2	H5	180.0°	90.2°
C1	N1	C2	H6	60.0°	29.8°
C1	N1	C2	H4	60.0°	149.7°
C2	N1	C3	O1	138.7°	7.2°
C2	N1	C3	N2	44.7°	172.8°
C2	N1	C1	H1	180.0°	86.2°
C2	N1	C1	H2	60.0°	153.8°
C2	N1	C1	H3	60.0°	33.9°
N1	C2	H5	H6	120.0°	120.0°
N1	C2	H5	H4	120.0°	120.0°
N1	C2	H6	H4	120.0°	120.0°
N1	C3	O1	N2	176.7°	180.0°
N1	C3	N2	C4	47.4°	24.7°
N1	C3	N2	C7	136.9°	155.3°
C3	N1	C1	H1	1.6°	94.1°
C3	N1	C1	H2	121.6°	26.0°
C3	N1	C1	H3	118.4°	145.9°
C3	N1	C2	H5	1.8°	90.0°
C3	N1	C2	H6	118.2°	150.0°
C3	N1	C2	H4	121.8°	30.0°
O1	C3	N2	C4	136.0°	155.3°
O1	C3	N2	C7	39.8°	24.7°
C3	N2	C4	C7	175.7°	180.0°
C3	N2	C4	C5	148.2°	131.0°
C3	N2	C7	C6	147.3°	132.0°
C3	N2	C7	C8	26.1°	104.8°
C3	N2	C7	C10	88.9°	8.9°
C3	N2	C4	H7	91.5°	109.3°
C3	N2	C4	H8	27.9°	11.3°
N2	C4	C5	H7	120.3°	119.7°
N2	C4	C5	H8	120.3°	119.7°
N2	C4	C5	O2	47.2°	53.0°
C4	N2	C7	C6	36.9°	48.0°
C4	N2	C7	C8	158.0°	75.2°
C4	N2	C7	C10	86.9°	171.1°
N2	C4	H7	H8	119.0°	120.6°
N2	C4	C5	H9	167.4°	66.9°
N2	C4	C5	H10	73.1°	173.1°
C4	C5	O2	H9	120.3°	119.9°
C4	C5	O2	H10	120.2°	120.0°
C4	C5	O2	C6	64.3°	63.2°
C5	C4	N2	C7	36.1°	49.0°
C5	C4	H7	H8	119.0°	120.6°
C4	C5	H9	H10	119.2°	120.0°
C5	O2	C6	C7	65.9°	60.8°
O2	C5	C4	H7	73.1°	66.7°
O2	C5	C4	H8	167.5°	172.8°
O2	C5	H9	H10	119.3°	120.1°
C5	O2	C6	H11	173.9°	179.2°
C5	O2	C6	H12	54.3°	59.1°
O2	C6	C7	H11	120.2°	119.9°
O2	C6	C7	H12	120.2°	120.0°
O2	C6	C7	C8	173.4°	73.3°
O2	C6	C7	N2	49.2°	49.8°
O2	C6	C7	C10	74.9°	172.9°
C6	O2	C5	H9	175.5°	56.8°
C6	O2	C5	H10	56.0°	176.8°
O2	C6	H11	H12	119.4°	120.1°
C6	C7	C8	N2	121.8°	123.1°
C6	C7	C8	C10	117.7°	118.5°
C6	C7	C8	C9	118.6°	138.6°
C6	C7	C10	O3	91.4°	154.6°
C6	C7	N2	C10	123.9°	123.1°
C7	C6	H11	H12	119.4°	120.1°
C6	C7	C8	H14	0.6°	20.0°
C6	C7	C8	H13	122.2°	102.8°
C6	C7	C10	H18	27.9°	87.0°
C6	C7	C10	H17	149.3°	36.0°
C7	C8	C9	H14	119.2°	118.6°
C7	C8	C9	H13	119.2°	118.6°
C7	C8	C9	O3	26.0°	2.5°
C8	C7	C10	O3	24.1°	36.0°
C8	C7	N2	C10	115.0°	113.7°
C8	C7	C6	H11	66.4°	46.6°
C8	C7	C6	H12	53.2°	166.7°
C7	C8	H14	H13	122.3°	122.8°
C8	C7	C10	H18	143.3°	154.5°
C8	C7	C10	H17	95.2°	82.6°
C7	C8	C9	H16	145.3°	116.9°
C7	C8	C9	H15	93.3°	121.9°
C8	C9	O3	H16	119.3°	119.5°
C8	C9	O3	H15	119.3°	119.5°
C8	C9	O3	C10	42.5°	26.2°
C9	C8	C7	N2	119.6°	98.3°
C9	C8	C7	C10	1.0°	20.1°
C9	C8	H14	H13	122.2°	122.7°
C8	C9	H16	H15	122.1°	121.1°
C9	O3	C10	C7	41.9°	39.0°
O3	C9	C8	H14	93.3°	121.1°
O3	C9	C8	H13	145.2°	116.1°
C9	O3	C10	H18	161.2°	157.5°
C9	O3	C10	H17	77.4°	79.5°
O3	C9	H16	H15	122.0°	121.0°
O3	C10	C7	N2	145.8°	82.4°
O3	C10	C7	H18	119.3°	118.4°
O3	C10	C7	H17	119.3°	118.6°
O3	C10	H18	H17	122.0°	123.0°
C10	O3	C9	H16	161.8°	93.3°
C10	O3	C9	H15	76.8°	145.6°
C7	N2	C4	H7	84.2°	70.7°
C7	N2	C4	H8	156.4°	168.7°
N2	C7	C6	H11	169.4°	169.8°
N2	C7	C6	H12	71.0°	70.1°
N2	C7	C8	H14	121.2°	143.1°
N2	C7	C8	H13	0.4°	20.3°
N2	C7	C10	H18	94.9°	36.0°
N2	C7	C10	H17	26.5°	158.9°
C10	C7	C6	H11	45.3°	67.2°
C10	C7	C6	H12	164.9°	52.9°
C10	C7	C8	H14	118.3°	98.5°
C10	C7	C8	H13	120.2°	138.7°
C7	C10	H18	H17	122.1°	123.0°
H7	C4	C5	H9	47.1°	173.4°
H7	C4	C5	H10	166.6°	53.4°
H8	C4	C5	H9	72.2°	52.8°
H8	C4	C5	H10	47.2°	67.2°
H14	C8	C9	H16	26.0°	1.7°
H14	C8	C9	H15	147.5°	119.5°
H13	C8	C9	H16	95.5°	124.5°
H13	C8	C9	H15	25.9°	3.3°
H1	C1	H2	H3	120.0°	120.1°
H5	C2	H6	H4	120.0°	120.0°

Release date:	2024-11-27
Definition date:	2024-11-04
Last modified:	2024-11-22
Release status:	REL
Processing site:	RCSB
Derived from:	7HN6