XXC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C10	doub	1.21Å	1.24Å
C11	C8	doub	1.38Å	1.38Å	Aromatic
C11	C13	sing	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.38Å	1.38Å	Aromatic
C4	C6	sing	1.53Å	1.52Å
C4	C2	sing	1.53Å	1.52Å
C10	C6	sing	1.51Å	1.50Å
C10	O1	sing	1.34Å	1.23Å
C13	C12	doub	1.38Å	1.37Å	Aromatic
C2	C1	sing	1.53Å	1.52Å
C7	C5	sing	1.51Å	1.50Å
C7	C9	doub	1.38Å	1.38Å	Aromatic
C1	C3	sing	1.53Å	1.52Å
C12	C9	sing	1.38Å	1.38Å	Aromatic
C5	C3	sing	1.53Å	1.51Å
O1	H1	sing	0.97Å	0.95Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C5	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.08Å	1.08Å
C12	H15	sing	1.08Å	1.08Å
C13	H16	sing	1.08Å	1.08Å
C11	H17	sing	1.08Å	1.08Å
C8	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C10	C6	118.0°	120.0°
O2	C10	O1	122.6°	120.0°
C8	C11	C13	121.0°	120.0°
C11	C8	C7	119.0°	120.0°
C8	C11	H17	119.5°	120.0°
C11	C8	H18	120.5°	120.0°
C11	C13	C12	119.9°	120.0°
C11	C13	H16	120.1°	120.0°
C13	C11	H17	119.5°	120.0°
C8	C7	C5	119.9°	120.0°
C8	C7	C9	120.1°	120.0°
C7	C8	H18	120.5°	120.0°
C6	C4	C2	111.0°	109.4°
C4	C6	C10	108.9°	109.5°
C4	C6	H2	109.6°	109.5°
C4	C6	H3	109.7°	109.5°
C6	C4	H4	109.1°	109.5°
C6	C4	H5	109.1°	109.5°
C4	C2	C1	110.2°	109.4°
C2	C4	H4	109.1°	109.4°
C2	C4	H5	109.1°	109.5°
C4	C2	H6	109.3°	109.4°
C4	C2	H7	109.3°	109.5°
C6	C10	O1	119.4°	120.0°
C10	C6	H2	109.6°	109.4°
C10	C6	H3	109.6°	109.4°
C10	O1	H1	109.5°	117.0°
C13	C12	C9	119.6°	120.0°
C13	C12	H15	120.2°	120.0°
C12	C13	H16	120.1°	120.0°
C2	C1	C3	110.9°	109.5°
C1	C2	H6	109.3°	109.5°
C1	C2	H7	109.3°	109.5°
C2	C1	H8	109.1°	109.5°
C2	C1	H9	109.1°	109.5°
C5	C7	C9	120.0°	120.0°
C7	C5	C3	113.6°	109.5°
C7	C5	H12	108.4°	109.5°
C7	C5	H13	108.4°	109.5°
C7	C9	C12	120.5°	120.0°
C7	C9	H14	119.8°	120.0°
C1	C3	C5	112.9°	109.5°
C3	C1	H8	109.1°	109.5°
C3	C1	H9	109.1°	109.4°
C1	C3	H10	108.6°	109.5°
C1	C3	H11	108.6°	109.5°
C12	C9	H14	119.8°	120.0°
C9	C12	H15	120.2°	119.9°
C5	C3	H10	108.6°	109.4°
C5	C3	H11	108.6°	109.4°
C3	C5	H12	108.4°	109.5°
C3	C5	H13	108.4°	109.5°
H2	C6	H3	109.4°	109.5°
H4	C4	H5	109.5°	109.5°
H6	C2	H7	109.4°	109.5°
H8	C1	H9	109.5°	109.5°
H10	C3	H11	109.4°	109.5°
H12	C5	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C10	C6	C4	79.7°	0.0°
O2	C10	C6	O1	179.3°	179.7°
O2	C10	O1	H1	0.0°	0.0°
O2	C10	C6	H2	160.4°	120.0°
O2	C10	C6	H3	40.3°	120.0°
C8	C11	C13	H17	180.0°	179.4°
C11	C8	C7	H18	180.0°	179.3°
C8	C11	C13	C12	0.5°	0.3°
C11	C8	C7	C5	179.3°	179.6°
C11	C8	C7	C9	1.3°	0.6°
C8	C11	C13	H16	179.5°	179.7°
C13	C11	C8	C7	0.9°	0.6°
C11	C13	C12	H16	180.0°	180.0°
C11	C13	C12	C9	0.6°	0.0°
C11	C13	C12	H15	179.4°	180.0°
C13	C11	C8	H18	179.1°	180.0°
C8	C7	C5	C9	178.0°	179.7°
C8	C7	C9	C12	1.4°	0.3°
C8	C7	C5	C3	92.6°	90.3°
C8	C7	C5	H12	146.7°	149.7°
C8	C7	C5	H13	28.0°	29.7°
C8	C7	C9	H14	178.6°	179.7°
C7	C8	C11	H17	179.2°	180.0°
C6	C4	C2	H4	120.2°	119.9°
C6	C4	C2	H5	120.2°	120.0°
C4	C6	C10	H2	119.9°	120.0°
C4	C6	C10	H3	119.9°	120.0°
C4	C6	C10	O1	99.6°	179.7°
C6	C4	C2	C1	145.7°	180.0°
C4	C6	H2	H3	120.3°	120.1°
C6	C4	H4	H5	119.3°	120.0°
C6	C4	C2	H6	25.6°	60.1°
C6	C4	C2	H7	94.2°	60.0°
C2	C4	C6	C10	73.6°	180.0°
C4	C2	C1	H6	120.1°	119.9°
C4	C2	C1	H7	120.1°	120.0°
C4	C2	C1	C3	174.1°	180.0°
C2	C4	C6	H2	46.4°	60.0°
C2	C4	C6	H3	166.5°	60.0°
C2	C4	H4	H5	119.3°	120.1°
C4	C2	H6	H7	119.7°	120.1°
C4	C2	C1	H8	65.7°	60.0°
C4	C2	C1	H9	53.9°	60.0°
C6	C10	O1	H1	179.2°	179.7°
C10	C6	H2	H3	120.3°	119.9°
C10	C6	C4	H4	46.7°	60.1°
C10	C6	C4	H5	166.2°	60.0°
O1	C10	C6	H2	20.3°	60.3°
O1	C10	C6	H3	140.5°	59.7°
C13	C12	C9	C7	1.1°	0.0°
C13	C12	C9	H15	180.0°	180.0°
C13	C12	C9	H14	178.9°	180.0°
C12	C13	C11	H17	179.5°	179.7°
C2	C1	C3	H8	120.2°	120.0°
C2	C1	C3	H9	120.2°	120.0°
C2	C1	C3	C5	112.6°	180.0°
C1	C2	C4	H4	94.1°	60.1°
C1	C2	C4	H5	25.4°	60.0°
C1	C2	H6	H7	119.7°	120.0°
C2	C1	H8	H9	119.3°	120.1°
C2	C1	C3	H10	126.9°	60.0°
C2	C1	C3	H11	8.0°	60.0°
C7	C5	C3	C1	86.1°	180.0°
C5	C7	C9	C12	179.5°	180.0°
C7	C5	C3	H12	120.6°	120.0°
C7	C5	C3	H13	120.6°	120.0°
C7	C5	C3	H10	153.3°	60.0°
C7	C5	C3	H11	34.4°	60.0°
C7	C5	H12	H13	118.1°	120.0°
C5	C7	C9	H14	0.5°	0.0°
C5	C7	C8	H18	0.7°	0.3°
C7	C9	C12	H14	180.0°	180.0°
C9	C7	C5	C3	89.3°	90.0°
C9	C7	C5	H12	31.3°	30.0°
C9	C7	C5	H13	150.0°	150.0°
C7	C9	C12	H15	178.9°	180.0°
C9	C7	C8	H18	178.7°	180.0°
C1	C3	C5	H10	120.5°	120.0°
C1	C3	C5	H11	120.5°	120.0°
C3	C1	C2	H6	54.0°	60.1°
C3	C1	C2	H7	65.8°	60.0°
C3	C1	H8	H9	119.4°	119.9°
C1	C3	H10	H11	118.4°	120.0°
C1	C3	C5	H12	153.2°	60.0°
C1	C3	C5	H13	34.5°	60.0°
C9	C12	C13	H16	179.4°	180.0°
C5	C3	C1	H8	7.6°	60.0°
C5	C3	C1	H9	127.2°	60.0°
C5	C3	H10	H11	118.4°	119.9°
C3	C5	H12	H13	118.1°	120.0°
H2	C6	C4	H4	166.6°	180.0°
H2	C6	C4	H5	73.9°	60.0°
H3	C6	C4	H4	73.2°	59.9°
H3	C6	C4	H5	46.3°	180.0°
H4	C4	C2	H6	145.8°	NaN°
H4	C4	C2	H7	26.0°	59.9°
H5	C4	C2	H6	94.7°	59.9°
H5	C4	C2	H7	145.6°	180.0°
H6	C2	C1	H8	174.2°	180.0°
H6	C2	C1	H9	66.3°	59.9°
H7	C2	C1	H8	54.4°	60.0°
H7	C2	C1	H9	174.0°	180.0°
H8	C1	C3	H10	112.9°	180.0°
H8	C1	C3	H11	128.2°	60.0°
H9	C1	C3	H10	6.7°	60.0°
H9	C1	C3	H11	112.2°	180.0°
H10	C3	C5	H12	32.7°	180.0°
H10	C3	C5	H13	86.1°	60.1°
H11	C3	C5	H12	86.2°	60.0°
H11	C3	C5	H13	155.0°	180.0°
H14	C9	C12	H15	1.1°	0.0°
H15	C12	C13	H16	0.6°	0.0°
H16	C13	C11	H17	0.5°	0.3°
H17	C11	C8	H18	0.8°	0.7°

Release date:	2014-03-05
Definition date:	2014-02-14
Last modified:	2014-02-28
Release status:	REL
Processing site:	PDBJ
Derived from:	4ORV