RO9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C32	C43	doub	1.38Å	1.40Å	Aromatic
C32	C29	sing	1.38Å	1.38Å	Aromatic
C43	C14	sing	1.39Å	1.38Å	Aromatic
C23	C21	sing	1.51Å	1.54Å
C25	O24	sing	1.43Å	1.44Å
C29	C16	doub	1.39Å	1.39Å	Aromatic
C14	O24	sing	1.36Å	1.38Å
C14	C15	doub	1.38Å	1.39Å	Aromatic
C21	C22	doub	1.35Å	1.34Å	Aromatic
C21	N20	sing	1.35Å	1.33Å	Aromatic
C16	C15	sing	1.39Å	1.39Å	Aromatic
C16	C3	sing	1.48Å	1.41Å
C22	C18	sing	1.40Å	1.34Å	Aromatic
N20	N19	sing	1.40Å	1.30Å	Aromatic
C3	N4	doub	1.32Å	1.34Å	Aromatic
C3	C8	sing	1.41Å	1.40Å	Aromatic
N4	C5	sing	1.33Å	1.33Å	Aromatic
C18	N19	doub	1.31Å	1.33Å	Aromatic
C18	N17	sing	1.40Å	1.34Å
C9	C8	doub	1.40Å	1.40Å	Aromatic
C9	C10	sing	1.36Å	1.39Å	Aromatic
C8	C7	sing	1.42Å	1.38Å	Aromatic
C5	N17	sing	1.39Å	1.35Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.39Å	1.38Å	Aromatic
C7	C6	sing	1.41Å	1.39Å	Aromatic
C7	C12	doub	1.40Å	1.39Å	Aromatic
C11	C12	sing	1.36Å	1.40Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
N17	H5	sing	0.97Å	1.00Å
C11	H6	sing	1.08Å	1.08Å
C23	H7	sing	1.09Å	1.10Å
C23	H8	sing	1.09Å	1.10Å
C23	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.08Å	1.08Å
N20	H11	sing	0.97Å	1.00Å
C9	H12	sing	1.08Å	1.08Å
C29	H13	sing	1.08Å	1.08Å
C32	H14	sing	1.08Å	1.08Å
C43	H15	sing	1.08Å	1.08Å
C25	H16	sing	1.09Å	1.10Å
C25	H17	sing	1.09Å	1.10Å
C25	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C43	C32	C29	120.8°	120.2°
C32	C43	C14	121.4°	120.2°
C43	C32	H14	119.6°	120.0°
C32	C43	H15	119.3°	119.9°
C32	C29	C16	119.1°	120.0°
C32	C29	H13	120.4°	120.0°
C29	C32	H14	119.6°	119.9°
C43	C14	O24	122.7°	120.0°
C43	C14	C15	117.0°	120.0°
C14	C43	H15	119.3°	119.9°
C23	C21	C22	126.4°	126.1°
C23	C21	N20	122.9°	126.1°
C21	C23	H7	109.5°	109.5°
C21	C23	H8	109.5°	109.5°
C21	C23	H9	109.4°	109.5°
C25	O24	C14	119.2°	117.0°
O24	C25	H16	109.5°	109.5°
O24	C25	H17	109.5°	109.5°
O24	C25	H18	109.5°	109.4°
C29	C16	C15	119.3°	119.8°
C29	C16	C3	120.5°	120.1°
C16	C29	H13	120.5°	120.1°
O24	C14	C15	120.4°	120.0°
C14	C15	C16	122.5°	119.8°
C14	C15	H3	118.8°	120.1°
C22	C21	N20	110.7°	107.9°
C21	C22	C18	104.5°	107.9°
C21	C22	H10	127.7°	126.0°
C21	N20	N19	106.3°	108.0°
C21	N20	H11	126.9°	126.0°
C15	C16	C3	120.1°	120.1°
C16	C15	H3	118.7°	120.1°
C16	C3	N4	116.9°	120.0°
C16	C3	C8	123.8°	120.0°
C22	C18	N19	108.9°	108.0°
C22	C18	N17	130.2°	126.0°
C18	C22	H10	127.8°	126.1°
N20	N19	C18	109.6°	108.2°
N19	N20	H11	126.9°	126.0°
N4	C3	C8	119.3°	119.9°
C3	N4	C5	124.1°	122.5°
C3	C8	C9	122.1°	121.9°
C3	C8	C7	118.2°	118.8°
N4	C5	N17	121.7°	119.2°
N4	C5	C6	118.6°	121.7°
N19	C18	N17	120.9°	125.9°
C18	N17	C5	123.9°	119.9°
C18	N17	H5	118.0°	120.1°
C8	C9	C10	122.2°	119.6°
C9	C8	C7	119.7°	119.3°
C8	C9	H12	118.9°	120.2°
C9	C10	C11	117.9°	121.1°
C9	C10	H2	121.0°	119.4°
C10	C9	H12	118.9°	120.2°
C8	C7	C6	120.7°	118.3°
C8	C7	C12	118.3°	119.6°
N17	C5	C6	119.6°	119.1°
C5	N17	H5	118.1°	120.0°
C5	C6	C7	119.1°	118.7°
C5	C6	H1	120.5°	120.7°
C10	C11	C12	120.3°	120.9°
C11	C10	H2	121.1°	119.5°
C10	C11	H6	119.8°	119.5°
C6	C7	C12	121.0°	122.1°
C7	C6	H1	120.4°	120.6°
C7	C12	C11	121.5°	119.5°
C7	C12	H4	119.2°	120.3°
C11	C12	H4	119.2°	120.2°
C12	C11	H6	119.9°	119.6°
H7	C23	H8	109.5°	109.4°
H7	C23	H9	109.5°	109.5°
H8	C23	H9	109.5°	109.5°
H16	C25	H17	109.5°	109.5°
H16	C25	H18	109.5°	109.5°
H17	C25	H18	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C43	C32	C29	H14	180.0°	179.8°
C32	C43	C14	H15	180.0°	179.7°
C43	C32	C29	C16	0.4°	0.2°
C32	C43	C14	O24	179.5°	180.0°
C32	C43	C14	C15	0.6°	0.0°
C43	C32	C29	H13	179.6°	179.7°
C29	C32	C43	C14	0.1°	0.2°
C32	C29	C16	H13	180.0°	179.9°
C32	C29	C16	C15	1.2°	0.0°
C32	C29	C16	C3	177.8°	180.0°
C29	C32	C43	H15	179.9°	179.9°
C43	C14	O24	C25	17.8°	0.0°
C43	C14	O24	C15	179.8°	180.0°
C43	C14	C15	C16	1.5°	0.3°
C43	C14	C15	H3	178.5°	180.0°
C14	C43	C32	H14	179.9°	180.0°
C23	C21	C22	N20	179.7°	179.8°
C23	C21	C22	C18	179.9°	179.7°
C23	C21	N20	N19	179.6°	179.8°
C21	C23	H7	H8	120.0°	120.0°
C21	C23	H7	H9	120.0°	120.0°
C21	C23	H8	H9	120.0°	120.0°
C23	C21	C22	H10	0.1°	0.3°
C23	C21	N20	H11	0.4°	0.3°
C25	O24	C14	C15	162.4°	180.0°
O24	C25	H16	H17	120.0°	120.0°
O24	C25	H16	H18	120.0°	120.0°
O24	C25	H17	H18	120.0°	119.9°
C29	C16	C15	C14	1.8°	0.3°
C29	C16	C15	C3	176.6°	180.0°
C29	C16	C3	N4	52.4°	44.5°
C29	C16	C3	C8	128.3°	135.5°
C29	C16	C15	H3	178.2°	180.0°
C16	C29	C32	H14	179.6°	180.0°
O24	C14	C15	C16	178.7°	179.8°
O24	C14	C15	H3	1.3°	0.0°
O24	C14	C43	H15	0.5°	0.3°
C14	O24	C25	H16	180.0°	60.0°
C14	O24	C25	H17	60.0°	60.0°
C14	O24	C25	H18	60.0°	180.0°
C14	C15	C16	H3	180.0°	179.8°
C14	C15	C16	C3	178.4°	179.7°
C15	C14	C43	H15	179.4°	179.7°
C21	C22	C18	H10	180.0°	180.0°
C22	C21	N20	N19	0.7°	0.0°
C21	C22	C18	N19	0.1°	0.0°
C21	C22	C18	N17	179.5°	180.0°
C22	C21	C23	H7	90.1°	90.0°
C22	C21	C23	H8	149.8°	150.0°
C22	C21	C23	H9	29.9°	30.0°
C22	C21	N20	H11	179.3°	180.0°
N20	C21	C22	C18	0.3°	0.0°
C21	N20	N19	H11	180.0°	180.0°
C21	N20	N19	C18	0.7°	0.0°
N20	C21	C23	H7	90.2°	90.3°
N20	C21	C23	H8	29.9°	29.7°
N20	C21	C23	H9	149.8°	149.7°
N20	C21	C22	H10	179.6°	180.0°
C15	C16	C3	N4	124.1°	135.5°
C15	C16	C3	C8	55.2°	44.5°
C15	C16	C29	H13	178.8°	179.9°
C16	C3	N4	C8	179.3°	180.0°
C16	C3	N4	C5	179.4°	180.0°
C16	C3	C8	C9	1.3°	0.1°
C16	C3	C8	C7	179.3°	179.7°
C3	C16	C15	H3	1.6°	0.0°
C3	C16	C29	H13	2.2°	0.1°
C22	C18	N19	N20	0.5°	0.0°
C22	C18	N19	N17	179.5°	179.9°
C22	C18	N17	C5	0.7°	5.7°
C22	C18	N17	H5	179.3°	174.3°
N20	N19	C18	N17	180.0°	180.0°
N4	C3	C8	C9	179.4°	180.0°
N4	C3	C8	C7	0.0°	0.3°
C3	N4	C5	N17	179.1°	180.0°
C3	N4	C5	C6	0.8°	0.3°
C8	C3	N4	C5	0.0°	0.0°
C3	C8	C9	C7	179.4°	179.7°
C3	C8	C9	C10	179.8°	179.7°
C3	C8	C7	C6	0.8°	0.3°
C3	C8	C7	C12	178.9°	180.0°
C3	C8	C9	H12	0.2°	0.2°
N4	C5	N17	C18	11.3°	4.9°
N4	C5	N17	C6	178.2°	179.7°
N4	C5	C6	C7	1.6°	0.3°
N4	C5	C6	H1	178.4°	179.7°
N4	C5	N17	H5	168.7°	175.1°
N19	C18	N17	C5	179.9°	174.4°
N19	C18	N17	H5	0.1°	5.6°
N19	C18	C22	H10	179.9°	180.0°
C18	N19	N20	H11	179.3°	180.0°
C18	N17	C5	H5	180.0°	179.9°
C18	N17	C5	C6	170.4°	174.8°
N17	C18	C22	H10	0.5°	0.0°
C8	C9	C10	H12	180.0°	179.5°
C8	C9	C10	C11	0.5°	0.5°
C9	C8	C7	C6	179.8°	180.0°
C9	C8	C7	C12	1.7°	0.3°
C8	C9	C10	H2	179.5°	179.7°
C10	C9	C8	C7	0.8°	0.5°
C9	C10	C11	H2	180.0°	179.8°
C9	C10	C11	C12	1.0°	0.2°
C9	C10	C11	H6	179.0°	179.7°
C8	C7	C6	C5	1.6°	0.0°
C8	C7	C6	C12	178.1°	179.7°
C8	C7	C12	C11	1.2°	0.0°
C8	C7	C6	H1	178.4°	180.0°
C8	C7	C12	H4	178.7°	179.9°
C7	C8	C9	H12	179.2°	180.0°
N17	C5	C6	C7	179.9°	180.0°
N17	C5	C6	H1	0.2°	0.0°
C5	C6	C7	H1	180.0°	180.0°
C5	C6	C7	C12	179.7°	179.7°
C6	C5	N17	H5	9.6°	5.3°
C10	C11	C12	C7	0.1°	0.0°
C10	C11	C12	H6	180.0°	179.9°
C10	C11	C12	H4	179.9°	180.0°
C11	C10	C9	H12	179.5°	180.0°
C6	C7	C12	C11	179.4°	179.7°
C6	C7	C12	H4	0.6°	0.3°
C7	C12	C11	H4	180.0°	180.0°
C12	C7	C6	H1	0.4°	0.3°
C7	C12	C11	H6	179.9°	180.0°
C12	C11	C10	H2	179.0°	180.0°
H2	C10	C11	H6	1.0°	0.1°
H2	C10	C9	H12	0.5°	0.2°
H4	C12	C11	H6	0.1°	0.1°
H7	C23	H8	H9	120.0°	120.0°
H13	C29	C32	H14	0.4°	0.1°
H14	C32	C43	H15	0.1°	0.3°
H16	C25	H17	H18	120.0°	120.1°

Release date:	2014-02-05
Definition date:	2013-06-09
Last modified:	2014-01-31
Release status:	REL
Processing site:	PDBJ
Derived from:	3W10