15C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.39Å	1.38Å	Aromatic
C1	C6	sing	1.39Å	1.49Å	Aromatic
C1	C10	sing	1.51Å	1.51Å
C2	C3	sing	1.38Å	1.40Å	Aromatic
C3	C4	doub	1.39Å	1.40Å	Aromatic
C4	C5	sing	1.39Å	1.37Å	Aromatic
C5	C6	doub	1.41Å	1.49Å	Aromatic
C5	C8	sing	1.48Å	1.49Å
C6	C7	sing	1.48Å	1.48Å
C7	N9	sing	1.35Å	1.35Å
C7	O11	doub	1.21Å	1.28Å
C8	N9	sing	1.35Å	1.35Å
C8	O12	doub	1.21Å	1.28Å
N9	C13	sing	1.40Å	1.36Å
C13	C14	doub	1.39Å	1.40Å	Aromatic
C13	C18	sing	1.39Å	1.41Å	Aromatic
C14	C15	sing	1.37Å	1.40Å	Aromatic
C15	C16	doub	1.40Å	1.40Å	Aromatic
C16	C17	sing	1.40Å	1.39Å	Aromatic
C16	C19	sing	1.47Å	1.51Å
C17	C18	doub	1.37Å	1.39Å	Aromatic
C19	C20	sing	1.51Å	1.51Å
C19	O21	doub	1.21Å	1.22Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	116.5°	119.8°
C2	C1	C10	121.4°	120.1°
C1	C2	C3	120.4°	120.5°
C1	C2	H2	119.8°	119.8°
C6	C1	C10	122.1°	120.1°
C1	C6	C5	120.1°	119.8°
C1	C6	C7	137.2°	134.3°
C1	C10	H10	109.5°	109.4°
C1	C10	H10A	109.5°	109.5°
C1	C10	H10B	109.5°	109.5°
C2	C3	C4	125.6°	120.4°
C3	C2	H2	119.8°	119.8°
C2	C3	H3	117.2°	119.8°
C3	C4	C5	117.5°	119.7°
C4	C3	H3	117.2°	119.8°
C3	C4	H4	121.3°	120.1°
C4	C5	C6	119.9°	119.9°
C4	C5	C8	134.8°	134.3°
C5	C4	H4	121.2°	120.2°
C6	C5	C8	105.3°	105.9°
C5	C6	C7	102.6°	105.9°
C5	C8	N9	110.4°	108.6°
C5	C8	O12	123.0°	125.7°
C6	C7	N9	112.6°	108.6°
C6	C7	O11	121.5°	125.7°
N9	C7	O11	125.9°	125.7°
C7	N9	C8	109.1°	111.1°
C7	N9	C13	122.3°	124.4°
N9	C8	O12	126.6°	125.7°
C8	N9	C13	128.5°	124.4°
N9	C13	C14	125.2°	119.9°
N9	C13	C18	120.3°	119.9°
C14	C13	C18	114.4°	120.2°
C13	C14	C15	122.0°	120.2°
C13	C14	H14	119.0°	119.9°
C13	C18	C17	124.9°	120.1°
C13	C18	H18	117.6°	120.0°
C14	C15	C16	121.2°	119.9°
C15	C14	H14	119.0°	119.9°
C14	C15	H15	119.4°	120.1°
C15	C16	C17	118.5°	119.8°
C15	C16	C19	122.7°	120.1°
C16	C15	H15	119.4°	120.0°
C17	C16	C19	118.8°	120.1°
C16	C17	C18	119.0°	119.9°
C16	C17	H17	120.5°	120.1°
C16	C19	C20	120.8°	120.0°
C16	C19	O21	118.6°	119.9°
C18	C17	H17	120.5°	120.0°
C17	C18	H18	117.6°	120.0°
C20	C19	O21	120.6°	120.0°
C19	C20	H20	109.5°	109.5°
C19	C20	H20A	109.4°	109.5°
C19	C20	H20B	109.5°	109.5°
H10	C10	H10A	109.4°	109.4°
H10	C10	H10B	109.4°	109.5°
H10A	C10	H10B	109.5°	109.5°
H20	C20	H20A	109.4°	109.4°
H20	C20	H20B	109.5°	109.5°
H20A	C20	H20B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C10	179.8°	179.7°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.7°	0.0°
C2	C1	C6	C5	0.1°	0.0°
C2	C1	C6	C7	179.8°	180.0°
C1	C2	C3	H3	179.2°	179.9°
C2	C1	C10	H10	90.1°	90.0°
C2	C1	C10	H10A	149.9°	150.0°
C2	C1	C10	H10B	29.9°	30.0°
C6	C1	C2	C3	0.3°	0.0°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	C7	179.8°	180.0°
C1	C6	C5	C8	179.9°	180.0°
C1	C6	C7	N9	179.4°	180.0°
C1	C6	C7	O11	0.3°	0.0°
C6	C1	C2	H2	179.6°	180.0°
C6	C1	C10	H10	90.1°	90.3°
C6	C1	C10	H10A	29.9°	29.7°
C6	C1	C10	H10B	149.9°	149.7°
C10	C1	C2	C3	179.8°	179.7°
C10	C1	C6	C5	179.8°	179.7°
C10	C1	C6	C7	0.0°	0.3°
C10	C1	C2	H2	0.2°	0.3°
C1	C10	H10	H10A	120.0°	120.0°
C1	C10	H10	H10B	120.0°	120.0°
C1	C10	H10A	H10B	120.0°	120.1°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	H4	179.4°	180.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.0°
C3	C4	C5	C8	179.5°	180.0°
C4	C3	C2	H2	179.2°	180.0°
C4	C5	C6	C8	179.8°	180.0°
C4	C5	C6	C7	180.0°	180.0°
C4	C5	C8	N9	179.4°	180.0°
C4	C5	C8	O12	0.2°	0.0°
C5	C4	C3	H3	179.3°	180.0°
C5	C6	C7	N9	0.8°	0.0°
C5	C6	C7	O11	179.9°	180.0°
C6	C5	C8	N9	0.4°	0.0°
C6	C5	C8	O12	180.0°	179.9°
C6	C5	C4	H4	179.9°	179.9°
C8	C5	C6	C7	0.2°	0.0°
C5	C8	N9	C7	0.9°	0.0°
C5	C8	N9	O12	179.6°	179.9°
C5	C8	N9	C13	178.6°	180.0°
C8	C5	C4	H4	0.4°	0.0°
C6	C7	N9	O11	179.1°	180.0°
C6	C7	N9	C8	1.1°	0.0°
C6	C7	N9	C13	179.0°	180.0°
C7	N9	C8	C13	177.8°	180.0°
C7	N9	C8	O12	179.5°	180.0°
C7	N9	C13	C14	131.1°	180.0°
C7	N9	C13	C18	47.9°	0.2°
O11	C7	N9	C8	179.9°	180.0°
O11	C7	N9	C13	1.9°	0.1°
C8	N9	C13	C14	51.4°	0.0°
C8	N9	C13	C18	129.6°	179.7°
O12	C8	N9	C13	1.8°	0.1°
N9	C13	C14	C18	179.0°	179.8°
N9	C13	C14	C15	179.0°	180.0°
N9	C13	C18	C17	179.2°	179.7°
N9	C13	C14	H14	1.0°	0.0°
N9	C13	C18	H18	0.8°	0.1°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	0.3°	0.0°
C14	C13	C18	C17	0.1°	0.5°
C13	C14	C15	H15	179.7°	180.0°
C14	C13	C18	H18	179.8°	179.7°
C18	C13	C14	C15	0.0°	0.2°
C13	C18	C17	C16	0.1°	0.5°
C13	C18	C17	H18	180.0°	179.8°
C18	C13	C14	H14	180.0°	179.8°
C13	C18	C17	H17	179.9°	179.7°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	0.5°	0.0°
C14	C15	C16	C19	179.6°	180.0°
C15	C16	C17	C19	179.9°	180.0°
C15	C16	C17	C18	0.4°	0.2°
C15	C16	C19	C20	56.3°	174.5°
C15	C16	C19	O21	124.9°	5.6°
C16	C15	C14	H14	179.7°	179.9°
C15	C16	C17	H17	179.6°	180.0°
C16	C17	C18	H17	180.0°	179.7°
C17	C16	C19	C20	123.8°	5.5°
C17	C16	C19	O21	55.0°	174.5°
C17	C16	C15	H15	179.5°	180.0°
C16	C17	C18	H18	179.9°	179.7°
C19	C16	C17	C18	179.7°	179.7°
C16	C19	C20	O21	178.7°	179.9°
C19	C16	C15	H15	0.4°	0.1°
C19	C16	C17	H17	0.3°	0.0°
C16	C19	C20	H20	178.7°	5.1°
C16	C19	C20	H20A	61.3°	125.0°
C16	C19	C20	H20B	58.7°	115.0°
C19	C20	H20	H20A	120.0°	120.0°
C19	C20	H20	H20B	120.0°	120.1°
C19	C20	H20A	H20B	120.0°	120.0°
O21	C19	C20	H20	0.0°	174.9°
O21	C19	C20	H20A	120.0°	54.9°
O21	C19	C20	H20B	120.0°	65.1°
H2	C2	C3	H3	0.8°	0.0°
H3	C3	C4	H4	0.6°	0.0°
H10	C10	H10A	H10B	119.9°	120.0°
H14	C14	C15	H15	0.3°	0.0°
H17	C17	C18	H18	0.1°	0.0°
H20	C20	H20A	H20B	120.0°	120.0°

Definition date:	2009-08-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3IJZ