W7X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.47Å
C2	C1	doub	1.38Å	1.31Å	Aromatic
C2	C3	sing	1.39Å	1.35Å	Aromatic
C7	C8	sing	1.54Å	1.51Å
C7	C6	sing	1.51Å	1.53Å
C1	N	sing	1.32Å	1.30Å	Aromatic
C3	C4	doub	1.38Å	1.33Å	Aromatic
C8	N2	sing	1.48Å	1.53Å
N	C5	doub	1.32Å	1.36Å	Aromatic
C4	C5	sing	1.39Å	1.29Å	Aromatic
C6	N1	sing	1.48Å	1.44Å
C5	N1	sing	1.39Å	1.41Å
N1	C10	sing	1.40Å	1.46Å
C9	N2	sing	1.45Å	1.54Å
C9	C10	sing	1.54Å	1.57Å
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	1.01Å	1.00Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.08Å	1.08Å
C3	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	119.1°	119.6°
C	C1	N	118.3°	119.6°
C1	C	H14	109.5°	109.5°
C1	C	H15	109.5°	109.5°
C1	C	H16	109.5°	109.5°
C1	C2	C3	116.5°	119.3°
C2	C1	N	122.2°	120.8°
C1	C2	H13	121.7°	120.3°
C2	C3	C4	124.8°	118.5°
C2	C3	H12	117.6°	120.7°
C3	C2	H13	121.8°	120.4°
C8	C7	C6	107.7°	112.1°
C7	C8	N2	107.0°	112.5°
C8	C7	H1	109.9°	109.0°
C8	C7	H2	109.9°	109.0°
C7	C8	H3	110.1°	108.8°
C7	C8	H4	110.1°	108.8°
C7	C6	N1	115.1°	108.5°
C6	C7	H1	109.9°	108.9°
C6	C7	H2	109.9°	108.9°
C7	C6	H9	108.0°	109.6°
C7	C6	H10	108.1°	109.7°
C1	N	C5	117.5°	121.6°
C3	C4	C5	114.2°	119.1°
C3	C4	H11	122.9°	120.5°
C4	C3	H12	117.6°	120.8°
C8	N2	C9	112.5°	113.9°
N2	C8	H3	110.1°	108.9°
N2	C8	H4	110.1°	108.9°
C8	N2	H5	108.7°	111.0°
N	C5	C4	124.6°	120.6°
N	C5	N1	113.9°	119.7°
C4	C5	N1	121.1°	119.7°
C5	C4	H11	122.9°	120.4°
C6	N1	C5	116.9°	111.0°
C6	N1	C10	119.9°	114.0°
N1	C6	H9	108.1°	109.6°
N1	C6	H10	108.0°	109.6°
C5	N1	C10	123.1°	111.0°
N1	C10	C9	111.8°	112.0°
N1	C10	H17	108.9°	109.0°
N1	C10	H18	108.9°	109.0°
N2	C9	C10	114.2°	108.9°
C9	N2	H5	108.7°	111.0°
N2	C9	H7	108.3°	109.5°
N2	C9	H8	108.3°	109.6°
C10	C9	H7	108.3°	109.5°
C10	C9	H8	108.3°	109.6°
C9	C10	H17	108.9°	109.0°
C9	C10	H18	108.9°	109.0°
H1	C7	H2	109.5°	108.8°
H3	C8	H4	109.5°	108.8°
H7	C9	H8	109.5°	109.7°
H9	C6	H10	109.4°	109.8°
H14	C	H15	109.5°	109.4°
H14	C	H16	109.5°	109.5°
H15	C	H16	109.5°	109.5°
H17	C10	H18	109.5°	108.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	N	172.9°	179.7°
C	C1	C2	C3	169.9°	179.7°
C	C1	N	C5	167.3°	179.7°
C	C1	C2	H13	10.1°	0.3°
C1	C	H14	H15	120.0°	120.0°
C1	C	H14	H16	120.0°	120.0°
C1	C	H15	H16	120.0°	120.0°
C1	C2	C3	H13	180.0°	180.0°
C1	C2	C3	C4	0.4°	0.0°
C2	C1	N	C5	5.6°	0.0°
C1	C2	C3	H12	179.6°	180.0°
C2	C1	C	H14	173.1°	90.3°
C2	C1	C	H15	66.8°	29.7°
C2	C1	C	H16	53.1°	149.7°
C3	C2	C1	N	3.0°	0.0°
C2	C3	C4	H12	180.0°	180.0°
C2	C3	C4	C5	0.8°	0.0°
C2	C3	C4	H11	179.2°	180.0°
C8	C7	C6	H1	119.7°	120.8°
C8	C7	C6	H2	119.8°	120.7°
C7	C8	N2	H3	119.6°	120.7°
C7	C8	N2	H4	119.6°	120.7°
C8	C7	C6	N1	103.0°	92.6°
C7	C8	N2	C9	45.5°	41.6°
C8	C7	H1	H2	120.9°	118.7°
C7	C8	H3	H4	121.1°	118.5°
C7	C8	N2	H5	74.9°	84.4°
C8	C7	C6	H9	136.1°	27.1°
C8	C7	C6	H10	17.8°	147.7°
C6	C7	C8	N2	41.5°	41.5°
C7	C6	N1	H9	120.8°	119.7°
C7	C6	N1	H10	120.8°	119.8°
C7	C6	N1	C5	116.1°	153.8°
C7	C6	N1	C10	67.1°	79.9°
C6	C7	H1	H2	120.8°	118.6°
C6	C7	C8	H3	78.2°	79.3°
C6	C7	C8	H4	161.1°	162.3°
C7	C6	H9	H10	117.4°	120.6°
C1	N	C5	C4	6.2°	0.0°
C1	N	C5	N1	166.0°	180.0°
N	C1	C2	H13	177.0°	180.0°
N	C1	C	H14	0.0°	90.0°
N	C1	C	H15	120.0°	150.1°
N	C1	C	H16	120.0°	30.0°
C3	C4	C5	N	3.7°	0.0°
C3	C4	C5	H11	180.0°	180.0°
C3	C4	C5	N1	167.9°	180.0°
C4	C3	C2	H13	179.6°	180.0°
C8	N2	C9	H5	120.5°	126.1°
C8	N2	C9	C10	98.9°	94.2°
N2	C8	C7	H1	78.2°	79.2°
N2	C8	C7	H2	161.2°	162.1°
N2	C8	H3	H4	121.1°	118.6°
C8	N2	C9	H7	140.4°	146.0°
C8	N2	C9	H8	21.8°	25.6°
N	C5	C4	N1	171.6°	180.0°
N	C5	N1	C6	20.7°	4.0°
N	C5	N1	C10	156.0°	123.9°
N	C5	C4	H11	176.3°	180.0°
C4	C5	N1	C6	151.7°	176.0°
C4	C5	N1	C10	31.5°	56.0°
C5	C4	C3	H12	179.2°	180.0°
C6	N1	C5	C10	176.7°	128.0°
C6	N1	C10	C9	29.8°	61.8°
N1	C6	C7	H1	16.7°	28.2°
N1	C6	C7	H2	137.2°	146.7°
N1	C6	H9	H10	117.4°	120.4°
C6	N1	C10	H17	150.2°	177.6°
C6	N1	C10	H18	90.5°	58.9°
C5	N1	C10	C9	153.5°	171.9°
C5	N1	C6	H9	4.7°	86.5°
C5	N1	C6	H10	123.1°	34.0°
N1	C5	C4	H11	12.1°	0.0°
C5	N1	C10	H17	33.2°	51.2°
C5	N1	C10	H18	86.1°	67.4°
N1	C10	C9	N2	55.6°	78.9°
N1	C10	C9	H17	120.4°	120.6°
N1	C10	C9	H18	120.3°	120.7°
N1	C10	C9	H7	176.3°	161.4°
N1	C10	C9	H8	65.1°	41.0°
C10	N1	C6	H9	172.1°	39.8°
C10	N1	C6	H10	53.8°	160.3°
N1	C10	H17	H18	119.0°	118.7°
N2	C9	C10	H7	120.7°	119.8°
N2	C9	C10	H8	120.7°	119.9°
C9	N2	C8	H3	165.1°	162.4°
C9	N2	C8	H4	74.1°	79.1°
N2	C9	H7	H8	117.9°	120.3°
N2	C9	C10	H17	175.9°	160.5°
N2	C9	C10	H18	64.8°	41.8°
C10	C9	N2	H5	21.5°	31.9°
C10	C9	H7	H8	117.9°	120.4°
C9	C10	H17	H18	118.9°	118.8°
H1	C7	C8	H3	162.1°	160.0°
H1	C7	C8	H4	41.4°	41.5°
H1	C7	C6	H9	104.2°	147.9°
H1	C7	C6	H10	137.5°	91.5°
H2	C7	C8	H3	41.6°	41.3°
H2	C7	C8	H4	79.2°	77.1°
H2	C7	C6	H9	16.4°	93.6°
H2	C7	C6	H10	102.0°	27.0°
H3	C8	N2	H5	44.7°	36.3°
H4	C8	N2	H5	165.4°	154.8°
H5	N2	C9	H7	99.2°	87.9°
H5	N2	C9	H8	142.2°	151.8°
H7	C9	C10	H17	63.4°	40.7°
H7	C9	C10	H18	55.9°	78.0°
H8	C9	C10	H17	55.2°	79.6°
H8	C9	C10	H18	174.5°	161.7°
H11	C4	C3	H12	0.8°	0.1°
H12	C3	C2	H13	0.4°	0.0°
H14	C	H15	H16	120.0°	120.0°

Release date:	2022-11-02
Definition date:	2022-09-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5SU2