11J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
I	C1	sing	2.10Å	2.09Å
N	C7	sing	1.35Å	1.34Å
N	C8	sing	1.40Å	1.36Å
O	C7	doub	1.22Å	1.22Å
C1	C2	doub	1.40Å	1.49Å	Aromatic
C1	C6	sing	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.40Å	1.40Å	Aromatic
C2	C7	sing	1.48Å	1.50Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
C4	C5	sing	1.38Å	1.40Å	Aromatic
C5	C6	doub	1.38Å	1.40Å	Aromatic
C8	C9	doub	1.39Å	1.40Å	Aromatic
C8	C13	sing	1.39Å	1.40Å	Aromatic
C9	C10	sing	1.39Å	1.40Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C10	C14	sing	1.48Å	1.50Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.39Å	1.40Å	Aromatic
C14	C19	sing	1.39Å	1.40Å	Aromatic
C15	C16	sing	1.38Å	1.40Å	Aromatic
C16	C17	doub	1.38Å	1.40Å	Aromatic
C17	C18	sing	1.38Å	1.40Å	Aromatic
C18	C19	doub	1.38Å	1.40Å	Aromatic
N	HN	sing	0.97Å	1.00Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
I	C1	C2	121.8°	120.1°
I	C1	C6	119.4°	120.1°
C7	N	C8	126.4°	120.0°
N	C7	O	123.6°	120.0°
N	C7	C2	117.5°	120.0°
C7	N	HN	116.7°	120.0°
N	C8	C9	118.4°	120.0°
N	C8	C13	122.2°	120.0°
C8	N	HN	116.8°	120.0°
O	C7	C2	118.9°	120.0°
C2	C1	C6	118.8°	119.9°
C1	C2	C3	118.7°	119.7°
C1	C2	C7	121.5°	120.2°
C1	C6	C5	120.3°	120.1°
C1	C6	H6	119.8°	119.9°
C3	C2	C7	119.8°	120.1°
C2	C3	C4	120.2°	119.8°
C2	C3	H3	119.9°	120.1°
C3	C4	C5	121.1°	120.2°
C4	C3	H3	119.9°	120.1°
C3	C4	H4	119.4°	119.9°
C4	C5	C6	121.0°	120.3°
C5	C4	H4	119.5°	119.9°
C4	C5	H5	119.5°	119.9°
C6	C5	H5	119.5°	119.8°
C5	C6	H6	119.9°	119.9°
C9	C8	C13	119.4°	120.0°
C8	C9	C10	120.7°	119.8°
C8	C9	H9	119.6°	120.1°
C8	C13	C12	120.2°	120.2°
C8	C13	H13	119.9°	119.9°
C9	C10	C11	119.2°	119.8°
C9	C10	C14	120.9°	120.1°
C10	C9	H9	119.7°	120.1°
C11	C10	C14	119.9°	120.1°
C10	C11	C12	120.4°	120.1°
C10	C11	H11	119.8°	120.0°
C10	C14	C15	120.4°	120.1°
C10	C14	C19	120.4°	120.1°
C11	C12	C13	120.0°	120.2°
C12	C11	H11	119.8°	119.9°
C11	C12	H12	120.0°	119.9°
C13	C12	H12	120.0°	119.9°
C12	C13	H13	119.9°	119.9°
C15	C14	C19	119.2°	119.7°
C14	C15	C16	120.4°	119.9°
C14	C15	H15	119.8°	120.1°
C14	C19	C18	120.4°	119.9°
C14	C19	H19	119.8°	120.0°
C15	C16	C17	120.0°	120.2°
C16	C15	H15	119.8°	120.1°
C15	C16	H16	120.0°	119.9°
C16	C17	C18	119.8°	120.2°
C17	C16	H16	120.0°	119.9°
C16	C17	H17	120.1°	120.0°
C17	C18	C19	120.1°	120.1°
C18	C17	H17	120.1°	119.8°
C17	C18	H18	120.0°	119.9°
C19	C18	H18	120.0°	120.0°
C18	C19	H19	119.8°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
I	C1	C2	C6	179.9°	179.7°
I	C1	C2	C3	179.8°	180.0°
I	C1	C2	C7	0.2°	0.1°
I	C1	C6	C5	179.9°	179.7°
I	C1	C6	H6	0.1°	0.0°
C7	N	C8	HN	180.0°	179.8°
N	C7	O	C2	179.0°	180.0°
N	C7	C2	C1	134.0°	180.0°
N	C7	C2	C3	45.6°	0.1°
C7	N	C8	C9	168.0°	146.8°
C7	N	C8	C13	12.4°	33.5°
C8	N	C7	O	28.9°	5.3°
C8	N	C7	C2	152.1°	174.7°
N	C8	C9	C13	179.7°	179.8°
N	C8	C9	C10	180.0°	180.0°
N	C8	C13	C12	180.0°	179.7°
N	C8	C9	H9	0.0°	0.1°
N	C8	C13	H13	0.0°	0.0°
O	C7	C2	C1	45.0°	0.0°
O	C7	C2	C3	135.4°	180.0°
O	C7	N	HN	151.1°	174.5°
C1	C2	C3	C7	179.6°	179.9°
C1	C2	C3	C4	0.1°	0.0°
C2	C1	C6	C5	0.0°	0.5°
C1	C2	C3	H3	179.9°	180.0°
C2	C1	C6	H6	180.0°	179.7°
C6	C1	C2	C3	0.1°	0.3°
C6	C1	C2	C7	179.7°	179.8°
C1	C6	C5	C4	0.1°	0.6°
C1	C6	C5	H6	180.0°	179.7°
C1	C6	C5	H5	179.9°	179.7°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.0°	0.0°
C2	C3	C4	H4	180.0°	180.0°
C7	C2	C3	C4	179.7°	180.0°
C2	C7	N	HN	27.9°	5.5°
C7	C2	C3	H3	0.3°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.3°
C3	C4	C5	H5	179.9°	180.0°
C4	C5	C6	H5	180.0°	179.7°
C5	C4	C3	H3	180.0°	180.0°
C4	C5	C6	H6	179.9°	179.7°
C6	C5	C4	H4	179.8°	179.7°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	0.1°	0.0°
C8	C9	C10	C14	179.8°	180.0°
C9	C8	C13	C12	0.3°	0.5°
C9	C8	N	HN	12.0°	33.0°
C9	C8	C13	H13	179.7°	179.7°
C13	C8	C9	C10	0.3°	0.3°
C8	C13	C12	C11	0.2°	0.5°
C8	C13	C12	H13	180.0°	179.8°
C13	C8	N	HN	167.6°	146.7°
C13	C8	C9	H9	179.7°	179.8°
C8	C13	C12	H12	179.8°	179.7°
C9	C10	C11	C14	180.0°	180.0°
C9	C10	C11	C12	0.0°	0.0°
C9	C10	C14	C15	131.1°	179.9°
C9	C10	C14	C19	49.2°	0.2°
C9	C10	C11	H11	180.0°	180.0°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.0°	0.3°
C11	C10	C14	C15	48.9°	0.1°
C11	C10	C14	C19	130.7°	179.7°
C11	C10	C9	H9	179.8°	180.0°
C10	C11	C12	H12	180.0°	180.0°
C14	C10	C11	C12	180.0°	179.9°
C10	C14	C15	C19	179.6°	179.8°
C10	C14	C15	C16	179.9°	180.0°
C10	C14	C19	C18	179.9°	179.8°
C14	C10	C9	H9	0.2°	0.0°
C14	C10	C11	H11	0.0°	0.0°
C10	C14	C15	H15	0.1°	0.0°
C10	C14	C19	H19	0.0°	0.1°
C11	C12	C13	H12	180.0°	179.8°
C11	C12	C13	H13	179.8°	179.7°
C13	C12	C11	H11	180.0°	179.7°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	0.1°	0.1°
C15	C14	C19	C18	0.3°	0.4°
C14	C15	C16	H16	179.9°	180.0°
C15	C14	C19	H19	179.7°	179.7°
C19	C14	C15	C16	0.2°	0.1°
C14	C19	C18	C17	0.2°	0.4°
C14	C19	C18	H19	180.0°	179.9°
C19	C14	C15	H15	179.8°	179.8°
C14	C19	C18	H18	179.8°	179.8°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C18	0.0°	0.0°
C15	C16	C17	H17	179.9°	180.0°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	C19	0.0°	0.2°
C17	C16	C15	H15	179.9°	180.0°
C16	C17	C18	H18	180.0°	180.0°
C17	C18	C19	H18	180.0°	179.8°
C18	C17	C16	H16	180.0°	180.0°
C17	C18	C19	H19	179.8°	179.7°
C19	C18	C17	H17	180.0°	179.8°
H3	C3	C4	H4	0.0°	0.0°
H4	C4	C5	H5	0.2°	0.0°
H5	C5	C6	H6	0.1°	0.0°
H11	C11	C12	H12	0.0°	0.0°
H12	C12	C13	H13	0.2°	0.1°
H15	C15	C16	H16	0.1°	0.0°
H16	C16	C17	H17	0.0°	0.0°
H17	C17	C18	H18	0.0°	0.0°
H18	C18	C19	H19	0.2°	0.1°

Definition date:	2010-02-23
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3AEG