C93

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C10	doub	1.22Å	1.25Å
C6	C5	doub	1.38Å	1.40Å	Aromatic
C6	C1	sing	1.39Å	1.40Å	Aromatic
C5	C4	sing	1.38Å	1.40Å	Aromatic
C10	C1	sing	1.48Å	1.51Å
C10	O11	sing	1.35Å	1.25Å
C1	C2	doub	1.41Å	1.40Å	Aromatic
C4	C3	doub	1.39Å	1.40Å	Aromatic
C2	C3	sing	1.40Å	1.40Å	Aromatic
C2	C7	sing	1.47Å	1.50Å
C3	N13	sing	1.39Å	1.42Å
C14	N13	sing	1.47Å	1.49Å
C14	C15	sing	1.53Å	1.53Å
O9	C7	doub	1.22Å	1.26Å
C7	O8	sing	1.35Å	1.26Å
N13	C18	sing	1.47Å	1.48Å
C18	C17	sing	1.53Å	1.52Å
C15	C16	sing	1.53Å	1.53Å
C16	C17	sing	1.53Å	1.53Å
C16	O19	sing	1.43Å	1.43Å
O11	H1	sing	0.97Å	0.95Å
C6	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
O8	H5	sing	0.97Å	0.95Å
C18	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
O19	H11	sing	0.97Å	0.95Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C10	C1	119.6°	120.0°
O12	C10	O11	119.9°	120.0°
C5	C6	C1	119.9°	120.2°
C6	C5	C4	120.4°	120.5°
C5	C6	H2	120.1°	119.9°
C6	C5	H3	119.8°	119.7°
C6	C1	C10	118.6°	120.2°
C6	C1	C2	119.3°	119.6°
C1	C6	H2	120.1°	119.9°
C5	C4	C3	119.9°	120.4°
C4	C5	H3	119.8°	119.8°
C5	C4	H4	120.1°	119.8°
C1	C10	O11	120.5°	120.0°
C10	C1	C2	122.1°	120.2°
C10	O11	H1	109.5°	117.0°
C1	C2	C3	121.2°	119.5°
C1	C2	C7	121.0°	120.2°
C4	C3	C2	119.4°	119.8°
C4	C3	N13	122.6°	120.1°
C3	C4	H4	120.0°	119.8°
C3	C2	C7	117.7°	120.3°
C2	C3	N13	118.0°	120.1°
C2	C7	O9	115.7°	120.0°
C2	C7	O8	121.2°	120.0°
C3	N13	C14	112.2°	111.0°
C3	N13	C18	112.9°	111.0°
N13	C14	C15	111.1°	109.5°
C14	N13	C18	110.4°	111.2°
N13	C14	H14	109.0°	109.4°
N13	C14	H15	109.0°	109.4°
C14	C15	C16	113.1°	109.3°
C14	C15	H12	108.6°	109.4°
C14	C15	H13	108.5°	109.6°
C15	C14	H14	109.1°	109.5°
C15	C14	H15	109.1°	109.5°
O9	C7	O8	123.1°	120.0°
C7	O8	H5	109.5°	117.0°
N13	C18	C17	107.8°	109.6°
N13	C18	H6	109.9°	109.5°
N13	C18	H7	109.9°	109.5°
C18	C17	C16	110.0°	109.3°
C17	C18	H6	109.9°	109.5°
C17	C18	H7	109.9°	109.4°
C18	C17	H8	109.3°	109.5°
C18	C17	H9	109.3°	109.5°
C15	C16	C17	111.6°	109.1°
C15	C16	O19	109.4°	109.5°
C15	C16	H10	109.1°	109.6°
C16	C15	H12	108.5°	109.5°
C16	C15	H13	108.6°	109.5°
C17	C16	O19	107.2°	109.5°
C16	C17	H8	109.4°	109.5°
C16	C17	H9	109.3°	109.5°
C17	C16	H10	109.2°	109.5°
O19	C16	H10	110.5°	109.5°
C16	O19	H11	109.5°	114.0°
H6	C18	H7	109.5°	109.4°
H8	C17	H9	109.5°	109.5°
H12	C15	H13	109.5°	109.5°
H14	C14	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C10	C1	C6	25.1°	179.7°
O12	C10	C1	O11	178.4°	179.8°
O12	C10	C1	C2	155.8°	0.1°
O12	C10	O11	H1	0.0°	0.1°
C5	C6	C1	H2	180.0°	180.0°
C6	C5	C4	H3	180.0°	179.9°
C5	C6	C1	C10	179.7°	180.0°
C5	C6	C1	C2	0.6°	0.3°
C6	C5	C4	C3	0.4°	0.1°
C6	C5	C4	H4	179.6°	180.0°
C1	C6	C5	C4	0.3°	0.1°
C6	C1	C10	C2	179.2°	179.7°
C6	C1	C10	O11	153.3°	0.1°
C6	C1	C2	C3	0.9°	0.6°
C6	C1	C2	C7	179.0°	179.8°
C1	C6	C5	H3	179.7°	180.0°
C5	C4	C3	H4	180.0°	179.9°
C5	C4	C3	C2	0.7°	0.3°
C5	C4	C3	N13	179.3°	179.9°
C4	C5	C6	H2	179.7°	180.0°
C10	C1	C2	C3	180.0°	179.8°
C10	C1	C2	C7	1.8°	0.1°
C1	C10	O11	H1	178.4°	179.7°
C10	C1	C6	H2	0.3°	0.1°
O11	C10	C1	C2	25.8°	179.7°
C1	C2	C3	C4	1.0°	0.6°
C1	C2	C3	C7	178.2°	179.7°
C1	C2	C3	N13	179.0°	179.7°
C1	C2	C7	O9	84.5°	90.0°
C1	C2	C7	O8	95.0°	90.1°
C2	C1	C6	H2	179.5°	179.7°
C4	C3	C2	N13	179.9°	179.8°
C4	C3	C2	C7	179.1°	179.7°
C4	C3	N13	C14	75.5°	64.2°
C4	C3	N13	C18	50.0°	60.0°
C3	C4	C5	H3	179.6°	180.0°
C2	C3	N13	C14	104.5°	116.0°
C3	C2	C7	O9	93.7°	89.7°
C3	C2	C7	O8	86.8°	90.3°
C2	C3	N13	C18	130.0°	119.8°
C2	C3	C4	H4	179.3°	179.7°
C7	C2	C3	N13	0.8°	0.0°
C2	C7	O9	O8	179.5°	180.0°
C2	C7	O8	H5	179.5°	180.0°
C3	N13	C14	C18	126.9°	124.1°
C3	N13	C14	C15	174.1°	174.2°
C3	N13	C18	C17	167.1°	174.2°
N13	C3	C4	H4	0.7°	0.0°
C3	N13	C18	H6	73.2°	65.8°
C3	N13	C18	H7	47.3°	54.2°
C3	N13	C14	H14	53.8°	54.1°
C3	N13	C14	H15	65.7°	65.8°
N13	C14	C15	H14	120.2°	120.0°
N13	C14	C15	H15	120.2°	120.0°
C14	N13	C18	C17	66.5°	61.7°
N13	C14	C15	C16	48.5°	59.2°
C14	N13	C18	H6	53.3°	58.3°
C14	N13	C18	H7	173.8°	178.3°
N13	C14	C15	H12	72.1°	179.1°
N13	C14	C15	H13	169.0°	60.8°
N13	C14	H14	H15	119.2°	119.9°
C15	C14	N13	C18	59.1°	61.7°
C14	C15	C16	H12	120.6°	119.9°
C14	C15	C16	H13	120.5°	120.0°
C14	C15	C16	C17	46.0°	57.7°
C14	C15	C16	O19	164.4°	177.6°
C14	C15	C16	H10	74.7°	62.2°
C14	C15	H12	H13	118.3°	120.1°
C15	C14	H14	H15	119.3°	120.1°
O9	C7	O8	H5	0.0°	0.0°
N13	C18	C17	H6	119.7°	120.0°
N13	C18	C17	H7	119.7°	120.0°
N13	C18	C17	C16	63.1°	59.2°
N13	C18	H6	H7	120.7°	120.0°
N13	C18	C17	H8	176.8°	179.1°
N13	C18	C17	H9	56.9°	60.8°
C18	N13	C14	H14	179.3°	178.2°
C18	N13	C14	H15	61.2°	58.3°
C18	C17	C16	C15	53.2°	57.7°
C18	C17	C16	H8	120.1°	120.0°
C18	C17	C16	H9	120.1°	120.0°
C18	C17	C16	O19	172.8°	177.6°
C17	C18	H6	H7	120.8°	119.9°
C18	C17	H8	H9	119.7°	120.1°
C18	C17	C16	H10	67.5°	62.3°
C15	C16	C17	O19	119.7°	119.9°
C15	C16	C17	H10	120.6°	120.0°
C15	C16	O19	H10	120.1°	120.2°
C15	C16	C17	H8	173.2°	177.6°
C15	C16	C17	H9	66.9°	62.3°
C15	C16	O19	H11	180.0°	60.3°
C16	C15	H12	H13	118.3°	120.1°
C16	C15	C14	H14	168.7°	179.2°
C16	C15	C14	H15	71.8°	60.7°
C17	C16	O19	H10	118.9°	120.1°
C16	C17	C18	H6	56.6°	60.8°
C16	C17	C18	H7	177.1°	179.2°
C16	C17	H8	H9	119.8°	120.1°
C17	C16	O19	H11	58.9°	180.0°
C17	C16	C15	H12	74.6°	177.6°
C17	C16	C15	H13	166.5°	62.4°
O19	C16	C17	H8	67.1°	62.5°
O19	C16	C17	H9	52.8°	57.6°
O19	C16	C15	H12	43.8°	62.5°
O19	C16	C15	H13	75.1°	57.5°
H2	C6	C5	H3	0.3°	0.0°
H3	C5	C4	H4	0.4°	0.1°
H6	C18	C17	H8	63.5°	59.1°
H6	C18	C17	H9	176.7°	179.2°
H7	C18	C17	H8	57.0°	60.8°
H7	C18	C17	H9	62.8°	59.2°
H8	C17	C16	H10	52.6°	57.6°
H9	C17	C16	H10	172.5°	177.7°
H10	C16	O19	H11	60.0°	59.9°
H10	C16	C15	H12	164.8°	57.6°
H10	C16	C15	H13	45.9°	177.7°
H12	C15	C14	H14	48.2°	60.9°
H12	C15	C14	H15	167.7°	59.2°
H13	C15	C14	H14	70.8°	59.2°
H13	C15	C14	H15	48.8°	179.2°

Release date:	2014-10-15
Definition date:	2014-08-19
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	3WXC