1WC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	doub	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.38Å	Aromatic
C6	N5	doub	1.31Å	1.33Å	Aromatic
C6	C7	sing	1.41Å	1.41Å	Aromatic
C13	CL1	sing	1.74Å	1.73Å
C13	C8	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.39Å	1.40Å	Aromatic
C8	C7	sing	1.48Å	1.48Å
N5	N3	sing	1.40Å	1.36Å	Aromatic
C7	C2	doub	1.36Å	1.39Å	Aromatic
N3	C2	sing	1.35Å	1.34Å	Aromatic
C2	C1	sing	1.51Å	1.49Å
C1	H16	sing	1.09Å	1.10Å
C1	H17	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C6	H18	sing	1.08Å	1.08Å
C10	H20	sing	1.08Å	1.08Å
C11	H21	sing	1.08Å	1.08Å
C12	H22	sing	1.08Å	1.08Å
N3	H4	sing	0.97Å	1.00Å
C9	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C10	120.0°	120.3°
C11	C12	C13	119.9°	120.1°
C12	C11	H21	120.0°	119.8°
C11	C12	H22	120.0°	120.0°
C11	C10	C9	120.3°	120.1°
C11	C10	H20	119.9°	120.0°
C10	C11	H21	120.0°	119.9°
C12	C13	CL1	118.3°	120.1°
C12	C13	C8	121.1°	119.9°
C13	C12	H22	120.1°	119.9°
C10	C9	C8	120.5°	119.9°
C9	C10	H20	119.8°	119.9°
C10	C9	H19	119.7°	120.1°
N5	C6	C7	111.2°	108.1°
C6	N5	N3	105.0°	108.5°
N5	C6	H18	124.4°	125.9°
C6	C7	C8	125.8°	126.2°
C6	C7	C2	104.7°	107.6°
C7	C6	H18	124.4°	126.0°
CL1	C13	C8	120.7°	120.1°
C13	C8	C9	118.2°	119.7°
C13	C8	C7	123.4°	120.1°
C9	C8	C7	118.4°	120.2°
C8	C9	H19	119.8°	120.0°
C8	C7	C2	129.5°	126.2°
N5	N3	C2	112.3°	108.2°
N5	N3	H4	123.8°	125.9°
C7	C2	N3	106.8°	107.6°
C7	C2	C1	131.8°	126.2°
N3	C2	C1	121.4°	126.2°
C2	N3	H4	123.9°	125.9°
C2	C1	H16	109.5°	109.5°
C2	C1	H17	109.5°	109.4°
C2	C1	H15	109.4°	109.5°
H16	C1	H17	109.4°	109.5°
H16	C1	H15	109.5°	109.5°
H17	C1	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C10	H21	180.0°	179.7°
C11	C12	C13	H22	180.0°	179.8°
C12	C11	C10	C9	0.2°	0.3°
C11	C12	C13	CL1	180.0°	180.0°
C11	C12	C13	C8	0.4°	0.0°
C12	C11	C10	H20	179.8°	179.8°
C10	C11	C12	C13	0.0°	0.2°
C11	C10	C9	H20	180.0°	180.0°
C11	C10	C9	C8	0.1°	0.0°
C10	C11	C12	H22	180.0°	180.0°
C11	C10	C9	H19	179.9°	180.0°
C12	C13	CL1	C8	179.6°	179.9°
C12	C13	C8	C9	0.5°	0.3°
C12	C13	C8	C7	179.7°	180.0°
C13	C12	C11	H21	179.9°	180.0°
C10	C9	C8	C13	0.2°	0.2°
C10	C9	C8	H19	180.0°	180.0°
C10	C9	C8	C7	179.4°	180.0°
C9	C10	C11	H21	179.8°	180.0°
N5	C6	C7	H18	180.0°	179.9°
N5	C6	C7	C8	179.8°	179.9°
N5	C6	C7	C2	0.1°	0.1°
C6	N5	N3	C2	0.1°	0.1°
C6	N5	N3	H4	180.0°	179.8°
C6	C7	C8	C13	46.4°	115.0°
C6	C7	C8	C9	132.8°	64.7°
C6	C7	C8	C2	179.6°	180.0°
C7	C6	N5	N3	0.1°	0.0°
C6	C7	C2	N3	0.1°	0.2°
C6	C7	C2	C1	179.8°	180.0°
CL1	C13	C8	C9	179.9°	179.8°
CL1	C13	C8	C7	0.8°	0.0°
CL1	C13	C12	H22	0.0°	0.2°
C13	C8	C9	C7	179.2°	179.8°
C13	C8	C7	C2	134.1°	65.0°
C8	C13	C12	H22	179.6°	179.8°
C13	C8	C9	H19	179.8°	179.7°
C9	C8	C7	C2	46.8°	115.3°
C8	C9	C10	H20	179.9°	180.0°
C8	C7	C2	N3	179.7°	179.8°
C8	C7	C2	C1	0.2°	0.0°
C8	C7	C6	H18	0.3°	0.2°
C7	C8	C9	H19	0.6°	0.1°
N5	N3	C2	C7	0.0°	0.2°
N5	N3	C2	H4	180.0°	179.9°
N5	N3	C2	C1	179.9°	180.0°
N3	N5	C6	H18	179.9°	180.0°
C7	C2	N3	C1	179.9°	179.8°
C7	C2	C1	H16	90.1°	90.0°
C7	C2	C1	H17	150.0°	150.0°
C7	C2	C1	H15	30.0°	30.0°
C2	C7	C6	H18	179.9°	179.8°
C7	C2	N3	H4	180.0°	179.7°
N3	C2	C1	H16	90.0°	90.3°
N3	C2	C1	H17	30.0°	29.8°
N3	C2	C1	H15	150.0°	149.7°
C2	C1	H16	H17	120.0°	120.0°
C2	C1	H16	H15	120.0°	120.0°
C2	C1	H17	H15	120.0°	120.0°
C1	C2	N3	H4	0.1°	0.1°
H16	C1	H17	H15	120.0°	120.0°
H20	C10	C11	H21	0.2°	0.0°
H20	C10	C9	H19	0.1°	0.0°
H21	C11	C12	H22	0.1°	0.2°

Release date:	2014-04-02
Definition date:	2014-02-24
Last modified:	2014-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	4OYO