AN1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.34Å	0.83Å
O1	H1	sing	0.97Å	0.51Å
C1	O2	doub	1.21Å	0.82Å
C1	C2	sing	1.51Å	0.82Å
C2	C3	sing	1.53Å	0.83Å
C2	H2	sing	1.09Å	0.58Å
C2	H3	sing	1.09Å	0.58Å
C3	C4	sing	1.51Å	0.83Å
C3	H4	sing	1.09Å	0.58Å
C3	H5	sing	1.09Å	0.58Å
C4	C5	doub	1.39Å	0.83Å	Aromatic
C4	C13	sing	1.39Å	0.82Å	Aromatic
C5	C6	sing	1.41Å	0.82Å	Aromatic
C5	C10	sing	1.47Å	0.82Å	Aromatic
C6	C7	doub	1.36Å	0.83Å	Aromatic
C6	H6	sing	1.08Å	0.58Å
C7	C8	sing	1.40Å	0.82Å	Aromatic
C7	H7	sing	1.08Å	0.58Å
C8	C9	doub	1.36Å	0.83Å	Aromatic
C8	H8	sing	1.08Å	0.58Å
C9	C10	sing	1.41Å	0.82Å	Aromatic
C9	H9	sing	1.08Å	0.58Å
C10	C11	doub	1.39Å	0.83Å	Aromatic
C11	C12	sing	1.39Å	0.82Å	Aromatic
C11	C18	sing	1.51Å	0.82Å
C12	C13	doub	1.47Å	0.82Å	Aromatic
C12	C17	sing	1.41Å	0.83Å	Aromatic
C13	C14	sing	1.41Å	0.83Å	Aromatic
C14	C15	doub	1.36Å	0.82Å	Aromatic
C14	H10	sing	1.08Å	0.58Å
C15	C16	sing	1.40Å	0.82Å	Aromatic
C15	H11	sing	1.08Å	0.58Å
C16	C17	doub	1.36Å	0.82Å	Aromatic
C16	H12	sing	1.08Å	0.58Å
C17	H13	sing	1.08Å	0.58Å
C18	H14	sing	1.09Å	0.58Å
C18	H15	sing	1.09Å	0.58Å
C18	H16	sing	1.09Å	0.58Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	H1	120.0°	120.0°
O1	C1	O2	119.9°	120.0°
O1	C1	C2	120.0°	120.0°
O2	C1	C2	120.0°	120.0°
C1	C2	C3	180.0°	109.5°
C1	C2	H2	90.0°	109.5°
C1	C2	H3	90.0°	109.5°
C3	C2	H2	90.0°	109.5°
C3	C2	H3	90.0°	109.5°
C2	C3	C4	180.0°	109.5°
C2	C3	H4	90.0°	109.5°
C2	C3	H5	90.0°	109.4°
H2	C2	H3	180.0°	109.4°
C4	C3	H4	90.0°	109.5°
C4	C3	H5	90.0°	109.5°
C3	C4	C5	120.0°	120.2°
C3	C4	C13	120.0°	120.2°
H4	C3	H5	180.0°	109.5°
C5	C4	C13	120.1°	119.7°
C4	C5	C6	120.1°	121.2°
C4	C5	C10	120.0°	120.2°
C4	C13	C12	120.0°	120.2°
C4	C13	C14	120.1°	121.2°
C6	C5	C10	120.0°	118.7°
C5	C6	C7	120.1°	119.7°
C5	C6	H6	120.0°	120.2°
C5	C10	C9	120.0°	118.7°
C5	C10	C11	120.0°	120.2°
C7	C6	H6	120.0°	120.1°
C6	C7	C8	120.0°	121.6°
C6	C7	H7	120.0°	119.2°
C8	C7	H7	120.0°	119.1°
C7	C8	C9	120.0°	121.7°
C7	C8	H8	120.0°	119.1°
C9	C8	H8	120.0°	119.2°
C8	C9	C10	119.9°	119.6°
C8	C9	H9	120.0°	120.1°
C10	C9	H9	120.0°	120.3°
C9	C10	C11	119.9°	121.1°
C10	C11	C12	119.9°	119.6°
C10	C11	C18	120.0°	120.2°
C12	C11	C18	120.0°	120.2°
C11	C12	C13	120.0°	120.2°
C11	C12	C17	119.9°	121.1°
C11	C18	H14	90.0°	109.5°
C11	C18	H15	90.0°	109.5°
C11	C18	H16	180.0°	109.5°
C13	C12	C17	120.0°	118.7°
C12	C13	C14	120.0°	118.7°
C12	C17	C16	119.9°	119.6°
C12	C17	H13	120.0°	120.2°
C13	C14	C15	120.1°	119.6°
C13	C14	H10	120.0°	120.2°
C15	C14	H10	120.0°	120.2°
C14	C15	C16	120.0°	121.7°
C14	C15	H11	120.0°	119.2°
C16	C15	H11	120.0°	119.1°
C15	C16	C17	120.0°	121.7°
C15	C16	H12	120.0°	119.1°
C17	C16	H12	120.0°	119.1°
C16	C17	H13	120.0°	120.2°
H14	C18	H15	180.0°	109.4°
H14	C18	H16	90.0°	109.4°
H15	C18	H16	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	180.0°	180.0°
O1	C1	C2	C3	90.0°	180.0°
O1	C1	C2	H2	180.0°	60.0°
O1	C1	C2	H3	0.0°	60.0°
H1	O1	C1	O2	0.0°	0.0°
H1	O1	C1	C2	180.0°	180.0°
O2	C1	C2	C3	90.0°	0.0°
O2	C1	C2	H2	0.0°	120.0°
O2	C1	C2	H3	180.0°	120.0°
C1	C2	C3	H2	90.0°	120.0°
C1	C2	C3	H3	90.0°	120.0°
C1	C2	H2	H3	90.0°	120.0°
C1	C2	C3	C4	90.0°	180.0°
C1	C2	C3	H4	90.0°	60.0°
C1	C2	C3	H5	90.0°	60.0°
C3	C2	H2	H3	90.0°	120.0°
C2	C3	C4	H4	90.0°	120.0°
C2	C3	C4	H5	90.0°	120.0°
C2	C3	H4	H5	90.0°	120.0°
C2	C3	C4	C5	90.0°	90.0°
C2	C3	C4	C13	90.0°	90.0°
H2	C2	C3	C4	90.0°	60.0°
H2	C2	C3	H4	0.0°	180.0°
H2	C2	C3	H5	180.0°	60.0°
H3	C2	C3	C4	90.0°	60.0°
H3	C2	C3	H4	180.0°	60.0°
H3	C2	C3	H5	0.0°	180.0°
C4	C3	H4	H5	90.0°	120.0°
C3	C4	C5	C13	180.0°	180.0°
C3	C4	C5	C6	0.0°	0.1°
C3	C4	C5	C10	180.0°	179.9°
C3	C4	C13	C12	180.0°	179.8°
C3	C4	C13	C14	0.0°	0.0°
H4	C3	C4	C5	180.0°	150.0°
H4	C3	C4	C13	0.0°	30.0°
H5	C3	C4	C5	0.0°	30.0°
H5	C3	C4	C13	180.0°	150.0°
C4	C5	C6	C10	180.0°	179.9°
C4	C5	C6	C7	180.0°	180.0°
C4	C5	C6	H6	0.0°	0.1°
C4	C5	C10	C9	180.0°	179.9°
C4	C5	C10	C11	0.0°	0.1°
C5	C4	C13	C12	0.0°	0.2°
C5	C4	C13	C14	180.0°	180.0°
C13	C4	C5	C6	180.0°	179.9°
C13	C4	C5	C10	0.0°	0.1°
C4	C13	C12	C11	0.0°	0.5°
C4	C13	C12	C14	180.0°	179.8°
C4	C13	C12	C17	180.0°	179.7°
C4	C13	C14	C15	180.0°	180.0°
C4	C13	C14	H10	0.0°	0.1°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.0°	0.1°
C5	C6	C7	H7	180.0°	180.0°
C6	C5	C10	C9	0.0°	0.1°
C6	C5	C10	C11	180.0°	179.9°
C10	C5	C6	C7	0.0°	0.1°
C10	C5	C6	H6	180.0°	179.9°
C5	C10	C9	C8	0.0°	0.0°
C5	C10	C9	C11	180.0°	180.0°
C5	C10	C9	H9	180.0°	179.9°
C5	C10	C11	C12	0.0°	0.2°
C5	C10	C11	C18	180.0°	179.9°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.0°	0.0°
C6	C7	C8	H8	180.0°	180.0°
H6	C6	C7	C8	180.0°	180.0°
H6	C6	C7	H7	0.0°	0.0°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	0.0°	0.1°
C7	C8	C9	H9	180.0°	180.0°
H7	C7	C8	C9	180.0°	180.0°
H7	C7	C8	H8	0.0°	0.0°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	180.0°	180.0°
H8	C8	C9	C10	180.0°	180.0°
H8	C8	C9	H9	0.0°	0.1°
C9	C10	C11	C12	180.0°	179.8°
C9	C10	C11	C18	0.0°	0.0°
H9	C9	C10	C11	0.0°	0.0°
C10	C11	C12	C18	180.0°	179.8°
C10	C11	C12	C13	0.0°	0.4°
C10	C11	C12	C17	180.0°	179.7°
C10	C11	C18	H14	0.0°	90.0°
C10	C11	C18	H15	180.0°	150.0°
C10	C11	C18	H16	90.0°	30.0°
C11	C12	C13	C17	180.0°	179.3°
C11	C12	C13	C14	180.0°	179.8°
C11	C12	C17	C16	180.0°	179.7°
C11	C12	C17	H13	0.0°	0.5°
C12	C11	C18	H14	180.0°	90.2°
C12	C11	C18	H15	0.0°	29.8°
C12	C11	C18	H16	90.0°	149.7°
C18	C11	C12	C13	180.0°	179.8°
C18	C11	C12	C17	0.0°	0.5°
C11	C18	H14	H15	90.0°	120.0°
C11	C18	H14	H16	180.0°	120.1°
C11	C18	H15	H16	180.0°	120.0°
C12	C13	C14	C15	0.0°	0.2°
C12	C13	C14	H10	180.0°	179.9°
C13	C12	C17	C16	0.0°	0.5°
C13	C12	C17	H13	180.0°	179.8°
C17	C12	C13	C14	0.0°	0.5°
C12	C17	C16	C15	0.0°	0.2°
C12	C17	C16	H13	180.0°	179.8°
C12	C17	C16	H12	180.0°	179.7°
C13	C14	C15	H10	180.0°	179.9°
C13	C14	C15	C16	0.0°	0.0°
C13	C14	C15	H11	180.0°	179.9°
C14	C15	C16	H11	180.0°	179.9°
C14	C15	C16	C17	0.0°	0.1°
C14	C15	C16	H12	180.0°	180.0°
H10	C14	C15	C16	180.0°	179.9°
H10	C14	C15	H11	0.0°	0.0°
C15	C16	C17	H12	180.0°	179.9°
C15	C16	C17	H13	180.0°	180.0°
H11	C15	C16	C17	180.0°	179.9°
H11	C15	C16	H12	0.0°	0.1°
H12	C16	C17	H13	0.0°	0.1°
H14	C18	H15	H16	90.0°	119.9°

Definition date:	2002-06-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB