P5M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O22	C16	sing	1.36Å	1.36Å
O24	C17	sing	1.36Å	1.36Å
C16	C17	doub	1.39Å	1.48Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.39Å	1.48Å	Aromatic
C15	C14	doub	1.40Å	1.39Å	Aromatic
C18	O21	sing	1.36Å	1.37Å
C18	C19	doub	1.38Å	1.39Å	Aromatic
O21	C23	sing	1.43Å	1.43Å
C14	C19	sing	1.40Å	1.40Å	Aromatic
C14	C11	sing	1.48Å	1.49Å
O12	C11	doub	1.21Å	1.37Å	Aromatic
O12	C4	sing	1.22Å	1.37Å	Aromatic
C5	C4	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.41Å	1.50Å	Aromatic
O29	C6	sing	1.36Å	1.36Å
C4	C3	sing	1.42Å	1.48Å	Aromatic
C6	C1	doub	1.40Å	1.39Å	Aromatic
C10	O27	sing	1.36Å	1.36Å
C10	C9	doub	1.38Å	1.39Å	Aromatic
C3	C9	sing	1.41Å	1.39Å	Aromatic
C3	C2	doub	1.41Å	1.49Å	Aromatic
C1	C2	sing	1.37Å	1.39Å	Aromatic
C2	O30	sing	1.36Å	1.36Å
O30	H1	sing	0.97Å	0.95Å
C9	H2	sing	1.08Å	1.08Å
O27	H3	sing	0.97Å	0.95Å
C1	H4	sing	1.08Å	1.08Å
O29	H5	sing	0.97Å	0.95Å
C5	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
O22	H8	sing	0.97Å	0.95Å
C19	H9	sing	1.08Å	1.08Å
C23	H10	sing	1.09Å	1.10Å
C23	H11	sing	1.09Å	1.10Å
C23	H12	sing	1.09Å	1.10Å
O24	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O22	C16	C17	120.4°	120.0°
O22	C16	C15	120.2°	120.0°
C16	O22	H8	109.5°	114.0°
O24	C17	C16	120.9°	119.9°
O24	C17	C18	121.9°	120.0°
C17	O24	H13	109.5°	114.0°
C17	C16	C15	119.4°	120.0°
C16	C17	C18	117.3°	120.1°
C16	C15	C14	121.9°	120.0°
C16	C15	H7	119.1°	120.0°
C17	C18	O21	120.1°	120.0°
C17	C18	C19	119.1°	120.1°
C15	C14	C19	120.7°	119.9°
C15	C14	C11	116.2°	120.1°
C14	C15	H7	119.1°	120.0°
O21	C18	C19	120.8°	120.0°
C18	O21	C23	119.7°	117.0°
C18	C19	C14	121.7°	119.9°
C18	C19	H9	119.1°	120.1°
O21	C23	H10	109.5°	109.5°
O21	C23	H11	109.5°	109.4°
O21	C23	H12	109.5°	109.4°
C19	C14	C11	123.1°	120.0°
C14	C19	H9	119.2°	120.0°
C14	C11	O12	116.2°	118.6°
C14	C11	C10	124.1°	118.6°
C11	O12	C4	120.6°	125.0°
O12	C11	C10	119.7°	122.7°
O12	C4	C5	120.4°	120.7°
O12	C4	C3	120.5°	120.6°
C4	C5	C6	121.1°	119.9°
C5	C4	C3	119.1°	118.7°
C4	C5	H6	119.5°	120.1°
C5	C6	O29	119.0°	119.5°
C5	C6	C1	121.9°	121.0°
C6	C5	H6	119.4°	120.0°
C11	C10	O27	121.9°	121.1°
C11	C10	C9	119.8°	117.9°
O29	C6	C1	119.1°	119.5°
C6	O29	H5	109.5°	114.0°
C4	C3	C9	119.9°	118.3°
C4	C3	C2	118.0°	120.2°
C6	C1	C2	121.4°	120.5°
C6	C1	H4	119.3°	119.7°
O27	C10	C9	118.3°	121.0°
C10	O27	H3	109.5°	114.0°
C10	C9	C3	119.4°	115.5°
C10	C9	H2	120.3°	122.3°
C9	C3	C2	122.1°	121.5°
C3	C9	H2	120.3°	122.3°
C3	C2	C1	118.5°	119.6°
C3	C2	O30	121.2°	120.2°
C1	C2	O30	120.3°	120.2°
C2	C1	H4	119.3°	119.8°
C2	O30	H1	109.5°	114.0°
H10	C23	H11	109.4°	109.5°
H10	C23	H12	109.5°	109.5°
H11	C23	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O22	C16	C17	O24	0.2°	0.1°
O22	C16	C17	C15	179.9°	179.9°
O22	C16	C17	C18	179.9°	179.7°
O22	C16	C15	C14	179.7°	180.0°
O22	C16	C15	H7	0.3°	0.1°
O24	C17	C16	C18	179.8°	179.6°
O24	C17	C16	C15	179.9°	180.0°
O24	C17	C18	O21	0.0°	0.3°
O24	C17	C18	C19	179.8°	179.7°
C17	C16	C15	C14	0.2°	0.1°
C16	C17	C18	O21	179.9°	179.9°
C16	C17	C18	C19	0.0°	0.6°
C17	C16	C15	H7	179.9°	180.0°
C17	C16	O22	H8	180.0°	90.0°
C16	C17	O24	H13	180.0°	90.1°
C15	C16	C17	C18	0.0°	0.4°
C16	C15	C14	H7	180.0°	180.0°
C16	C15	C14	C19	0.5°	0.0°
C16	C15	C14	C11	179.8°	179.7°
C15	C16	O22	H8	0.1°	90.0°
C17	C18	O21	C19	179.9°	179.5°
C17	C18	O21	C23	120.6°	179.4°
C17	C18	C19	C14	0.3°	0.5°
C17	C18	C19	H9	179.7°	179.4°
C18	C17	O24	H13	0.2°	90.3°
C15	C14	C19	C18	0.6°	0.2°
C15	C14	C19	C11	179.3°	179.8°
C15	C14	C11	O12	10.9°	89.9°
C15	C14	C11	C10	169.4°	90.7°
C15	C14	C19	H9	179.4°	179.7°
O21	C18	C19	C14	179.8°	180.0°
O21	C18	C19	H9	0.2°	0.1°
C18	O21	C23	H10	180.0°	60.0°
C18	O21	C23	H11	60.0°	60.0°
C18	O21	C23	H12	60.0°	180.0°
C19	C18	O21	C23	59.5°	0.1°
C18	C19	C14	H9	180.0°	179.9°
C18	C19	C14	C11	179.9°	180.0°
O21	C23	H10	H11	120.0°	120.0°
O21	C23	H10	H12	120.0°	120.0°
O21	C23	H11	H12	120.0°	120.0°
C19	C14	C11	O12	168.5°	89.9°
C19	C14	C11	C10	11.3°	89.6°
C19	C14	C15	H7	179.5°	180.0°
C14	C11	O12	C10	179.8°	179.4°
C14	C11	O12	C4	179.8°	180.0°
C14	C11	C10	O27	0.3°	0.3°
C14	C11	C10	C9	179.9°	179.6°
C11	C14	C15	H7	0.2°	0.3°
C11	C14	C19	H9	0.1°	0.1°
C11	O12	C4	C5	179.9°	179.7°
C11	O12	C4	C3	0.1°	0.7°
O12	C11	C10	O27	180.0°	179.7°
O12	C11	C10	C9	0.1°	0.2°
O12	C4	C5	C3	180.0°	179.6°
O12	C4	C5	C6	179.9°	180.0°
C4	O12	C11	C10	0.0°	0.6°
O12	C4	C3	C9	0.1°	0.3°
O12	C4	C3	C2	180.0°	179.7°
O12	C4	C5	H6	0.1°	0.4°
C4	C5	C6	H6	180.0°	179.6°
C4	C5	C6	O29	179.8°	179.7°
C4	C5	C6	C1	0.1°	0.3°
C5	C4	C3	C9	179.9°	180.0°
C5	C4	C3	C2	0.0°	0.1°
C5	C6	O29	C1	180.0°	180.0°
C6	C5	C4	C3	0.1°	0.4°
C5	C6	C1	C2	0.0°	0.0°
C5	C6	C1	H4	180.0°	180.0°
C5	C6	O29	H5	180.0°	89.9°
C11	C10	O27	C9	179.8°	180.0°
C11	C10	C9	C3	0.1°	0.0°
C11	C10	C9	H2	179.9°	180.0°
C11	C10	O27	H3	180.0°	90.0°
O29	C6	C1	C2	179.9°	180.0°
O29	C6	C1	H4	0.0°	0.0°
O29	C6	C5	H6	0.2°	0.1°
C4	C3	C9	C10	0.0°	0.0°
C4	C3	C9	C2	179.9°	180.0°
C4	C3	C2	C1	0.1°	0.3°
C4	C3	C2	O30	180.0°	180.0°
C4	C3	C9	H2	180.0°	180.0°
C3	C4	C5	H6	179.9°	180.0°
C6	C1	C2	C3	0.1°	0.3°
C6	C1	C2	H4	180.0°	180.0°
C6	C1	C2	O30	180.0°	180.0°
C1	C6	O29	H5	0.0°	90.0°
C1	C6	C5	H6	179.9°	180.0°
O27	C10	C9	C3	180.0°	180.0°
O27	C10	C9	H2	0.0°	0.0°
C10	C9	C3	H2	180.0°	180.0°
C10	C9	C3	C2	179.8°	180.0°
C9	C10	O27	H3	0.2°	90.0°
C9	C3	C2	C1	180.0°	179.7°
C9	C3	C2	O30	0.1°	0.0°
C3	C2	C1	O30	179.9°	179.7°
C3	C2	O30	H1	180.0°	90.0°
C2	C3	C9	H2	0.2°	0.0°
C3	C2	C1	H4	179.9°	179.7°
C1	C2	O30	H1	0.1°	90.3°
O30	C2	C1	H4	0.0°	0.0°
H10	C23	H11	H12	120.0°	120.1°

Release date:	2015-01-21
Definition date:	2014-10-15
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	4REN