W2B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	sing	1.53Å	1.52Å
C8	C7	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.51Å
C6	C7	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.54Å
C5	C10	sing	1.53Å	1.53Å
C5	N2	sing	1.46Å	1.46Å
O	C4	doub	1.21Å	1.22Å
C1	N	doub	1.31Å	1.34Å	Aromatic
C1	C	sing	1.40Å	1.42Å	Aromatic
N	N1	sing	1.40Å	1.35Å	Aromatic
C4	N2	sing	1.35Å	1.34Å
C4	C3	sing	1.51Å	1.53Å
C	C2	doub	1.35Å	1.37Å	Aromatic
N1	C3	sing	1.47Å	1.45Å
N1	C2	sing	1.35Å	1.38Å	Aromatic
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
N2	H5	sing	0.97Å	1.00Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.08Å	1.08Å
C5	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.08Å	1.08Å
C	H15	sing	1.08Å	1.08Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	113.1°	109.5°
C8	C9	C10	111.6°	109.5°
C9	C8	H3	108.6°	109.5°
C9	C8	H4	108.6°	109.5°
C8	C9	H6	109.0°	109.4°
C8	C9	H7	108.9°	109.5°
C8	C7	C6	115.0°	109.4°
C8	C7	H1	108.1°	109.4°
C8	C7	H2	108.1°	109.4°
C7	C8	H3	108.5°	109.4°
C7	C8	H4	108.6°	109.5°
C9	C10	C5	106.5°	109.5°
C10	C9	H6	108.9°	109.5°
C10	C9	H7	108.9°	109.5°
C9	C10	H16	110.2°	109.5°
C9	C10	H17	110.2°	109.4°
C7	C6	C5	112.0°	109.5°
C6	C7	H1	108.1°	109.5°
C6	C7	H2	108.1°	109.5°
C7	C6	H10	108.9°	109.5°
C7	C6	H11	108.9°	109.5°
C6	C5	C10	110.8°	109.4°
C6	C5	N2	109.7°	109.5°
C6	C5	H9	109.1°	109.5°
C5	C6	H10	108.8°	109.4°
C5	C6	H11	108.8°	109.5°
C10	C5	N2	107.7°	109.5°
C10	C5	H9	109.3°	109.5°
C5	C10	H16	110.2°	109.5°
C5	C10	H17	110.2°	109.5°
C5	N2	C4	127.9°	120.0°
C5	N2	H5	116.1°	120.0°
N2	C5	H9	110.2°	109.5°
O	C4	N2	124.3°	120.0°
O	C4	C3	121.9°	120.0°
N	C1	C	110.6°	108.2°
C1	N	N1	104.8°	108.2°
N	C1	H8	124.7°	125.9°
C1	C	C2	106.1°	107.9°
C	C1	H8	124.7°	125.9°
C1	C	H15	126.9°	126.0°
N	N1	C3	121.1°	126.1°
N	N1	C2	113.1°	107.9°
N2	C4	C3	113.8°	120.0°
C4	N2	H5	116.0°	120.0°
C4	C3	N1	110.0°	109.5°
C4	C3	H12	109.3°	109.5°
C4	C3	H13	109.3°	109.4°
C	C2	N1	105.4°	107.7°
C	C2	H14	127.3°	126.1°
C2	C	H15	126.9°	126.1°
C3	N1	C2	125.8°	126.0°
N1	C3	H12	109.3°	109.5°
N1	C3	H13	109.3°	109.5°
N1	C2	H14	127.3°	126.1°
H1	C7	H2	109.5°	109.5°
H3	C8	H4	109.5°	109.5°
H6	C9	H7	109.5°	109.4°
H10	C6	H11	109.5°	109.4°
H12	C3	H13	109.5°	109.5°
H16	C10	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H3	120.5°	120.0°
C9	C8	C7	H4	120.5°	120.0°
C8	C9	C10	H6	120.3°	120.0°
C8	C9	C10	H7	120.3°	120.0°
C9	C8	C7	C6	43.0°	60.0°
C8	C9	C10	C5	63.4°	60.0°
C9	C8	C7	H1	163.8°	60.0°
C9	C8	C7	H2	77.8°	180.0°
C9	C8	H3	H4	118.4°	120.0°
C8	C9	H6	H7	119.0°	120.0°
C8	C9	C10	H16	56.1°	60.0°
C8	C9	C10	H17	177.0°	179.9°
C7	C8	C9	C10	10.2°	60.0°
C8	C7	C6	H1	120.8°	120.0°
C8	C7	C6	H2	120.8°	120.0°
C8	C7	C6	C5	40.9°	60.0°
C8	C7	H1	H2	117.5°	120.0°
C7	C8	H3	H4	118.3°	120.0°
C7	C8	C9	H6	130.5°	180.0°
C7	C8	C9	H7	110.1°	60.0°
C8	C7	C6	H10	79.4°	180.0°
C8	C7	C6	H11	161.3°	60.0°
C9	C10	C5	C6	64.8°	60.0°
C9	C10	C5	H16	119.5°	120.0°
C9	C10	C5	H17	119.5°	120.0°
C9	C10	C5	N2	175.2°	180.0°
C10	C9	C8	H3	130.7°	60.0°
C10	C9	C8	H4	110.4°	180.0°
C10	C9	H6	H7	119.0°	120.0°
C9	C10	C5	H9	55.5°	59.9°
C9	C10	H16	H17	121.4°	119.9°
C7	C6	C5	H10	120.4°	120.0°
C7	C6	C5	H11	120.4°	120.1°
C7	C6	C5	C10	12.9°	60.0°
C7	C6	C5	N2	131.7°	180.0°
C6	C7	H1	H2	117.5°	120.1°
C6	C7	C8	H3	77.6°	60.0°
C6	C7	C8	H4	163.5°	180.0°
C7	C6	C5	H9	107.5°	59.9°
C7	C6	H10	H11	118.9°	120.0°
C6	C5	C10	N2	120.0°	120.0°
C6	C5	C10	H9	120.3°	120.0°
C6	C5	N2	H9	120.1°	120.0°
C6	C5	N2	C4	146.7°	85.0°
C5	C6	C7	H1	161.7°	59.9°
C5	C6	C7	H2	79.9°	180.0°
C6	C5	N2	H5	33.3°	95.0°
C5	C6	H10	H11	118.8°	120.0°
C6	C5	C10	H16	54.7°	60.0°
C6	C5	C10	H17	175.7°	180.0°
C10	C5	N2	H9	119.2°	120.0°
C10	C5	N2	C4	92.6°	155.0°
C10	C5	N2	H5	87.4°	25.0°
C5	C10	C9	H6	176.3°	180.0°
C5	C10	C9	H7	56.9°	60.0°
C10	C5	C6	H10	133.3°	180.0°
C10	C5	C6	H11	107.5°	60.0°
C5	C10	H16	H17	121.4°	120.0°
C5	N2	C4	O	1.0°	0.0°
C5	N2	C4	H5	180.0°	180.0°
C5	N2	C4	C3	179.5°	180.0°
N2	C5	C6	H10	107.9°	60.0°
N2	C5	C6	H11	11.3°	59.9°
N2	C5	C10	H16	65.2°	60.0°
N2	C5	C10	H17	55.7°	60.0°
O	C4	N2	C3	179.5°	179.9°
O	C4	C3	N1	13.7°	0.0°
O	C4	N2	H5	179.0°	180.0°
O	C4	C3	H12	133.7°	120.0°
O	C4	C3	H13	106.4°	120.0°
N	C1	C	H8	180.0°	179.8°
N	C1	C	C2	0.1°	0.0°
C1	N	N1	C3	178.5°	180.0°
C1	N	N1	C2	0.2°	0.2°
N	C1	C	H15	179.9°	180.0°
C	C1	N	N1	0.1°	0.2°
C1	C	C2	H15	180.0°	179.9°
C1	C	C2	N1	0.2°	0.1°
C1	C	C2	H14	179.8°	179.9°
N	N1	C3	C4	80.2°	55.3°
N	N1	C2	C	0.3°	0.2°
N	N1	C3	C2	178.5°	179.7°
N1	N	C1	H8	180.0°	180.0°
N	N1	C3	H12	39.9°	64.7°
N	N1	C3	H13	159.7°	175.3°
N	N1	C2	H14	179.7°	179.8°
N2	C4	C3	N1	165.9°	180.0°
C4	N2	C5	H9	26.6°	35.0°
N2	C4	C3	H12	45.8°	59.9°
N2	C4	C3	H13	74.1°	60.1°
C4	C3	N1	H12	120.1°	120.0°
C4	C3	N1	H13	120.1°	120.0°
C4	C3	N1	C2	98.3°	125.0°
C3	C4	N2	H5	0.5°	0.0°
C4	C3	H12	H13	119.8°	120.0°
C	C2	N1	C3	178.4°	180.0°
C	C2	N1	H14	180.0°	180.0°
C2	C	C1	H8	179.9°	179.8°
N1	C3	H12	H13	119.7°	120.0°
C3	N1	C2	H14	1.7°	0.1°
C2	N1	C3	H12	141.6°	115.0°
C2	N1	C3	H13	21.7°	5.0°
N1	C2	C	H15	179.8°	179.8°
H1	C7	C8	H3	43.2°	NaN°
H1	C7	C8	H4	75.7°	60.0°
H1	C7	C6	H10	41.3°	60.0°
H1	C7	C6	H11	77.9°	180.0°
H2	C7	C8	H3	161.7°	60.0°
H2	C7	C8	H4	42.7°	60.0°
H2	C7	C6	H10	159.7°	60.1°
H2	C7	C6	H11	40.5°	59.9°
H3	C8	C9	H6	109.0°	60.0°
H3	C8	C9	H7	10.4°	180.0°
H4	C8	C9	H6	9.9°	60.0°
H4	C8	C9	H7	129.3°	60.0°
H5	N2	C5	H9	153.4°	145.0°
H6	C9	C10	H16	64.2°	59.9°
H6	C9	C10	H17	56.7°	60.0°
H7	C9	C10	H16	176.4°	179.9°
H7	C9	C10	H17	62.7°	60.0°
H8	C1	C	H15	0.2°	0.2°
H9	C5	C6	H10	12.9°	60.0°
H9	C5	C6	H11	132.1°	180.0°
H9	C5	C10	H16	175.0°	180.0°
H9	C5	C10	H17	64.0°	60.1°
H14	C2	C	H15	0.3°	0.2°

Release date:	2022-11-02
Definition date:	2022-09-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	7FJX