I0G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C23	sing	1.53Å	1.54Å
C4	C6	sing	1.51Å	1.54Å
C4	C2	sing	1.54Å	1.58Å
C4	H4	sing	1.10Å	1.10Å
C6	C7	sing	1.40Å	1.43Å	Aromatic
C6	C12	doub	1.40Å	1.41Å	Aromatic
C7	C8	doub	1.40Å	1.42Å	Aromatic
C7	H7	sing	1.09Å	1.08Å
C8	O9	sing	1.36Å	1.36Å
C8	C10	sing	1.39Å	1.41Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C10	H10	sing	1.09Å	1.08Å
C17	C16	sing	1.39Å	1.43Å	Aromatic
C17	C18	doub	1.40Å	1.41Å	Aromatic
C17	H17	sing	1.09Å	1.08Å
C21	C22	sing	1.39Å	1.41Å	Aromatic
C21	C19	doub	1.39Å	1.40Å	Aromatic
C21	H21	sing	1.09Å	1.08Å
C22	C16	doub	1.39Å	1.42Å	Aromatic
C22	H22	sing	1.09Å	1.08Å
C24	C23	sing	1.52Å	1.54Å
C24	C1	sing	1.53Å	1.55Å
C24	H241	sing	1.10Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C1	C2	sing	1.54Å	1.56Å
C1	H11A	sing	1.10Å	1.10Å
C1	H12	sing	1.10Å	1.10Å
C2	C14	sing	1.53Å	1.57Å
C2	H2	sing	1.10Å	1.10Å
O9	HO9	sing	0.97Å	0.95Å
C11	C12	sing	1.40Å	1.42Å	Aromatic
C11	H11	sing	1.09Å	1.08Å
C12	O13	sing	1.37Å	1.37Å
O13	C14	sing	1.44Å	1.44Å
C14	C16	sing	1.52Å	1.56Å
C14	H14	sing	1.10Å	1.10Å
C18	C19	sing	1.39Å	1.42Å	Aromatic
C18	H18	sing	1.09Å	1.08Å
C19	O20	sing	1.36Å	1.34Å
O20	HO20	sing	0.97Å	0.95Å
C23	H231	sing	1.10Å	1.10Å
C23	H232	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C23	C4	C6	111.6°	114.9°
C23	C4	C2	105.2°	102.0°
C23	C4	H4	112.0°	110.6°
C4	C23	C24	107.2°	104.7°
C4	C23	H231	110.2°	109.3°
C4	C23	H232	110.7°	114.7°
C6	C4	C2	112.7°	111.6°
C6	C4	H4	104.5°	107.5°
C4	C6	C7	119.5°	120.4°
C4	C6	C12	121.1°	121.1°
C2	C4	H4	111.0°	110.2°
C4	C2	C1	104.6°	104.7°
C4	C2	C14	110.3°	110.3°
C4	C2	H2	112.9°	108.7°
C7	C6	C12	119.4°	118.5°
C6	C7	C8	120.0°	120.8°
C6	C7	H7	120.0°	120.6°
C6	C12	C11	120.0°	120.6°
C6	C12	O13	123.3°	123.6°
C8	C7	H7	120.0°	118.6°
C7	C8	O9	120.9°	119.9°
C7	C8	C10	119.8°	120.1°
O9	C8	C10	119.3°	120.0°
C8	O9	HO9	109.5°	110.2°
C8	C10	C11	120.1°	119.9°
C8	C10	H10	120.0°	119.9°
C11	C10	H10	119.9°	120.2°
C10	C11	C12	120.8°	120.1°
C10	C11	H11	119.6°	119.5°
C16	C17	C18	120.1°	119.9°
C16	C17	H17	119.9°	120.6°
C17	C16	C22	118.9°	120.1°
C17	C16	C14	119.9°	120.0°
C18	C17	H17	119.9°	119.5°
C17	C18	C19	120.0°	120.0°
C17	C18	H18	120.0°	119.6°
C22	C21	C19	120.2°	120.0°
C22	C21	H21	119.9°	119.7°
C21	C22	C16	120.7°	119.9°
C21	C22	H22	119.7°	119.5°
C19	C21	H21	119.9°	120.3°
C21	C19	C18	120.1°	120.0°
C21	C19	O20	119.6°	120.0°
C16	C22	H22	119.7°	120.6°
C22	C16	C14	121.1°	119.9°
C23	C24	C1	108.0°	105.8°
C23	C24	H241	110.0°	110.2°
C23	C24	H242	110.3°	111.7°
C24	C23	H231	110.2°	109.0°
C24	C23	H232	110.7°	111.7°
C1	C24	H241	110.0°	109.7°
C1	C24	H242	110.3°	112.0°
C24	C1	C2	105.6°	106.5°
C24	C1	H11A	110.8°	109.9°
C24	C1	H12	111.6°	110.8°
H241	C24	H242	108.3°	107.4°
C2	C1	H11A	110.8°	112.8°
C2	C1	H12	111.6°	110.2°
C1	C2	C14	111.7°	115.4°
C1	C2	H2	111.5°	107.8°
H11A	C1	H12	106.6°	106.8°
C14	C2	H2	106.0°	109.7°
C2	C14	O13	111.1°	111.7°
C2	C14	C16	114.1°	112.0°
C2	C14	H14	104.7°	109.6°
C12	C11	H11	119.6°	120.4°
C11	C12	O13	116.7°	115.7°
C12	O13	C14	114.1°	114.4°
O13	C14	C16	108.5°	110.3°
O13	C14	H14	110.7°	107.7°
C16	C14	H14	107.5°	105.3°
C19	C18	H18	120.0°	120.4°
C18	C19	O20	120.3°	120.0°
C19	O20	HO20	109.5°	110.3°
H231	C23	H232	107.7°	107.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C23	C4	C6	C2	118.1°	115.5°
C23	C4	C6	H4	121.3°	123.6°
C23	C4	C2	H4	121.4°	117.4°
C23	C4	C6	C7	59.4°	56.1°
C23	C4	C6	C12	120.7°	125.5°
C4	C23	C24	H231	120.0°	116.9°
C4	C23	C24	H232	120.9°	124.7°
C4	C23	C24	C1	5.9°	28.3°
C4	C23	C24	H241	114.1°	90.2°
C4	C23	C24	H242	126.5°	150.5°
C23	C4	C2	C1	30.8°	36.5°
C23	C4	C2	C14	151.0°	161.2°
C23	C4	C2	H2	90.6°	78.5°
C4	C23	H231	H232	120.9°	124.9°
C6	C4	C2	H4	116.8°	119.4°
C4	C6	C7	C12	179.9°	178.5°
C4	C6	C7	C8	179.9°	179.3°
C4	C6	C7	H7	0.1°	0.6°
C6	C4	C23	C24	99.8°	80.7°
C6	C4	C2	C1	91.0°	86.7°
C6	C4	C2	C14	29.2°	38.0°
C6	C4	C2	H2	147.5°	158.3°
C4	C6	C12	C11	179.8°	178.5°
C4	C6	C12	O13	0.7°	0.1°
C6	C4	C23	H231	140.2°	162.7°
C6	C4	C23	H232	21.1°	42.1°
C2	C4	C6	C7	177.6°	171.5°
C2	C4	C6	C12	2.6°	10.0°
C2	C4	C23	C24	22.7°	40.1°
C4	C2	C1	C24	27.0°	19.7°
C4	C2	C1	C14	119.3°	121.4°
C4	C2	C1	H2	122.3°	115.6°
C4	C2	C1	H11A	92.9°	100.9°
C4	C2	C1	H12	148.5°	139.9°
C4	C2	C14	H2	122.5°	119.7°
C4	C2	C14	O13	56.9°	60.3°
C4	C2	C14	C16	179.9°	175.5°
C4	C2	C14	H14	62.6°	59.0°
C2	C4	C23	H231	97.3°	76.5°
C2	C4	C23	H232	143.6°	162.9°
H4	C4	C6	C7	61.8°	67.5°
H4	C4	C6	C12	118.0°	111.0°
H4	C4	C23	C24	143.4°	157.3°
H4	C4	C2	C1	152.2°	154.0°
H4	C4	C2	C14	87.6°	81.3°
H4	C4	C2	H2	30.7°	38.9°
H4	C4	C23	H231	23.4°	40.7°
H4	C4	C23	H232	95.7°	79.9°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	O9	179.8°	179.5°
C6	C7	C8	C10	0.2°	0.3°
C7	C6	C12	C11	0.1°	3.0°
C7	C6	C12	O13	179.5°	178.6°
C12	C6	C7	C8	0.0°	2.2°
C12	C6	C7	H7	180.0°	177.9°
C6	C12	C11	C10	0.1°	1.9°
C6	C12	C11	O13	179.6°	178.6°
C6	C12	C11	H11	180.0°	178.7°
C6	C12	O13	C14	28.8°	21.1°
C7	C8	O9	C10	180.0°	179.9°
C7	C8	C10	C11	0.4°	0.7°
C7	C8	C10	H10	179.7°	179.7°
C7	C8	O9	HO9	31.8°	109.4°
H7	C7	C8	O9	0.2°	0.4°
H7	C7	C8	C10	179.8°	179.7°
O9	C8	C10	C11	179.6°	179.4°
O9	C8	C10	H10	0.3°	0.2°
C8	C10	C11	H10	180.0°	179.6°
C10	C8	O9	HO9	148.2°	70.7°
C8	C10	C11	C12	0.3°	0.0°
C8	C10	C11	H11	179.8°	179.4°
C10	C11	C12	H11	180.0°	179.4°
C10	C11	C12	O13	179.6°	179.5°
H10	C10	C11	C12	179.7°	179.5°
H10	C10	C11	H11	0.2°	0.1°
C16	C17	C18	H17	180.0°	180.0°
C17	C16	C22	C21	0.0°	0.1°
C17	C16	C22	C14	179.6°	180.0°
C17	C16	C22	H22	180.0°	180.0°
C17	C16	C14	C2	144.6°	89.0°
C17	C16	C14	O13	20.1°	145.9°
C17	C16	C14	H14	99.8°	30.0°
C16	C17	C18	C19	0.1°	0.0°
C16	C17	C18	H18	179.9°	180.0°
C17	C18	C19	C21	0.1°	0.0°
C18	C17	C16	C22	0.1°	0.0°
C18	C17	C16	C14	179.5°	179.9°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	O20	179.7°	180.0°
H17	C17	C16	C22	179.9°	180.0°
H17	C17	C16	C14	0.5°	0.0°
H17	C17	C18	C19	179.9°	180.0°
H17	C17	C18	H18	0.1°	0.0°
C22	C21	C19	H21	180.0°	180.0°
C21	C22	C16	H22	180.0°	179.9°
C21	C22	C16	C14	179.6°	179.9°
C22	C21	C19	C18	0.2°	0.0°
C22	C21	C19	O20	179.6°	180.0°
C19	C21	C22	C16	0.2°	0.1°
C19	C21	C22	H22	179.8°	180.0°
C21	C19	C18	O20	179.8°	180.0°
C21	C19	C18	H18	179.9°	180.0°
C21	C19	O20	HO20	134.5°	169.7°
H21	C21	C22	C16	179.8°	179.9°
H21	C21	C22	H22	0.2°	0.0°
H21	C21	C19	C18	179.8°	180.0°
H21	C21	C19	O20	0.4°	0.0°
C22	C16	C14	C2	35.8°	91.0°
C22	C16	C14	O13	160.4°	34.1°
C22	C16	C14	H14	79.8°	150.0°
H22	C22	C16	C14	0.4°	0.0°
C23	C24	C1	H241	120.0°	118.8°
C23	C24	C1	H242	120.6°	121.9°
C23	C24	H241	H242	120.6°	121.9°
C23	C24	C1	C2	13.4°	5.2°
C23	C24	C1	H11A	106.6°	127.6°
C23	C24	C1	H12	134.9°	114.6°
C24	C23	H231	H232	120.9°	121.2°
C1	C24	H241	H242	120.6°	122.0°
C24	C1	C2	H11A	120.0°	120.6°
C24	C1	C2	H12	121.4°	120.2°
C24	C1	H11A	H12	121.6°	120.2°
C24	C1	C2	C14	146.3°	141.1°
C24	C1	C2	H2	95.3°	96.0°
C1	C24	C23	H231	114.1°	88.5°
C1	C24	C23	H232	126.8°	153.0°
H241	C24	C1	C2	133.4°	113.6°
H241	C24	C1	H11A	13.5°	8.8°
H241	C24	C1	H12	105.1°	126.5°
H241	C24	C23	H231	125.9°	153.0°
H241	C24	C23	H232	6.8°	34.5°
H242	C24	C1	C2	107.2°	127.2°
H242	C24	C1	H11A	132.8°	110.4°
H242	C24	C1	H12	14.3°	7.3°
H242	C24	C23	H231	6.5°	33.6°
H242	C24	C23	H232	112.6°	84.9°
C2	C1	H11A	H12	121.6°	121.2°
C1	C2	C14	H2	121.6°	122.0°
C1	C2	C14	O13	58.9°	58.1°
C1	C2	C14	C16	64.2°	66.2°
C1	C2	C14	H14	178.5°	177.4°
H11A	C1	C2	C14	26.3°	20.5°
H11A	C1	C2	H2	144.7°	143.5°
H12	C1	C2	C14	92.2°	98.7°
H12	C1	C2	H2	26.2°	24.2°
C2	C14	O13	C12	56.9°	51.0°
C2	C14	O13	C16	126.3°	125.3°
C2	C14	O13	H14	115.9°	120.4°
C2	C14	C16	H14	115.6°	119.0°
H2	C2	C14	O13	179.4°	179.9°
H2	C2	C14	C16	57.4°	55.8°
H2	C2	C14	H14	59.8°	60.7°
C11	C12	O13	C14	151.6°	160.4°
H11	C11	C12	O13	0.4°	0.1°
C12	O13	C14	C16	176.8°	176.3°
C12	O13	C14	H14	59.0°	69.4°
O13	C14	C16	H14	119.8°	115.9°
C18	C19	O20	HO20	45.2°	10.2°
H18	C18	C19	O20	0.3°	0.0°

Definition date:	2006-08-11
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2I0G