DF6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C29	C28	doub	1.38Å	1.40Å	Aromatic
C29	C11	sing	1.39Å	1.39Å	Aromatic
O33	C34	sing	1.43Å	1.42Å
O33	C32	sing	1.36Å	1.37Å
C32	C31	doub	1.36Å	1.40Å	Aromatic
C32	C3	sing	1.40Å	1.38Å	Aromatic
C31	C30	sing	1.40Å	1.40Å	Aromatic
S17	C16	doub	1.71Å	1.69Å
O10	C9	sing	1.36Å	1.39Å
O10	C11	sing	1.36Å	1.38Å
O2	C3	sing	1.36Å	1.39Å
O2	C1	sing	1.43Å	1.43Å
C3	C4	doub	1.36Å	1.39Å	Aromatic
C28	C14	sing	1.39Å	1.40Å	Aromatic
C30	C9	sing	1.41Å	1.40Å	Aromatic
C30	C5	doub	1.42Å	1.40Å	Aromatic
C9	C8	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.41Å	1.40Å	Aromatic
C5	N6	sing	1.34Å	1.35Å	Aromatic
C8	C7	sing	1.39Å	1.39Å	Aromatic
C11	C12	doub	1.39Å	1.38Å	Aromatic
N6	C7	doub	1.31Å	1.34Å	Aromatic
C14	N15	sing	1.40Å	1.37Å
C14	C13	doub	1.39Å	1.39Å	Aromatic
C16	N15	sing	1.35Å	1.34Å
C16	N18	sing	1.35Å	1.34Å
C12	C13	sing	1.38Å	1.38Å	Aromatic
N18	C19	sing	1.35Å	1.34Å
C19	O20	doub	1.21Å	1.23Å
C19	C21	sing	1.51Å	1.51Å
C21	C22	sing	1.51Å	1.51Å
C22	C27	doub	1.38Å	1.39Å	Aromatic
C22	C23	sing	1.38Å	1.39Å	Aromatic
C27	C26	sing	1.38Å	1.39Å	Aromatic
C23	C24	doub	1.38Å	1.39Å	Aromatic
C26	C25	doub	1.38Å	1.39Å	Aromatic
C24	C25	sing	1.38Å	1.39Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C21	H5	sing	1.09Å	1.10Å
C21	H6	sing	1.09Å	1.10Å
C24	H7	sing	1.08Å	1.08Å
C26	H8	sing	1.08Å	1.08Å
C28	H9	sing	1.08Å	1.08Å
C27	H10	sing	1.08Å	1.08Å
C25	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
N18	H13	sing	0.97Å	1.00Å
N15	H14	sing	0.97Å	1.00Å
C12	H15	sing	1.08Å	1.08Å
C29	H16	sing	1.08Å	1.08Å
C31	H17	sing	1.08Å	1.08Å
C34	H18	sing	1.09Å	1.10Å
C34	H19	sing	1.09Å	1.10Å
C34	H20	sing	1.09Å	1.10Å
C1	H21	sing	1.09Å	1.10Å
C1	H22	sing	1.09Å	1.10Å
C1	H23	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C28	C29	C11	120.4°	120.1°
C29	C28	C14	120.2°	120.0°
C29	C28	H9	119.9°	120.0°
C28	C29	H16	119.8°	120.0°
C29	C11	O10	122.8°	120.0°
C29	C11	C12	118.9°	120.0°
C11	C29	H16	119.8°	120.0°
C34	O33	C32	125.2°	117.0°
O33	C34	H18	109.5°	109.4°
O33	C34	H19	109.5°	109.5°
O33	C34	H20	109.5°	109.5°
O33	C32	C31	122.8°	119.6°
O33	C32	C3	116.3°	119.7°
C31	C32	C3	120.9°	120.7°
C32	C31	C30	120.0°	119.6°
C32	C31	H17	120.0°	120.2°
C32	C3	O2	118.5°	119.6°
C32	C3	C4	119.4°	120.9°
C31	C30	C9	121.9°	121.2°
C31	C30	C5	118.8°	119.8°
C30	C31	H17	120.0°	120.2°
S17	C16	N15	122.7°	120.0°
S17	C16	N18	118.0°	120.0°
C9	O10	C11	120.3°	118.0°
O10	C9	C30	122.3°	121.0°
O10	C9	C8	120.3°	121.0°
O10	C11	C12	118.3°	120.0°
C3	O2	C1	122.7°	117.0°
O2	C3	C4	122.2°	119.6°
O2	C1	H21	109.5°	109.5°
O2	C1	H22	109.4°	109.5°
O2	C1	H23	109.5°	109.4°
C3	C4	C5	120.3°	119.8°
C3	C4	H1	119.9°	120.1°
C28	C14	N15	127.1°	120.0°
C28	C14	C13	118.1°	119.9°
C14	C28	H9	119.9°	120.0°
C9	C30	C5	119.3°	118.9°
C30	C9	C8	117.4°	118.0°
C30	C5	C4	120.7°	119.2°
C30	C5	N6	121.2°	119.9°
C9	C8	C7	121.0°	119.7°
C9	C8	H3	119.5°	120.2°
C4	C5	N6	118.1°	120.9°
C5	C4	H1	119.9°	120.1°
C5	N6	C7	120.4°	121.6°
C8	C7	N6	120.6°	121.8°
C8	C7	H2	119.7°	119.1°
C7	C8	H3	119.5°	120.1°
C11	C12	C13	120.9°	120.0°
C11	C12	H15	119.5°	120.0°
N6	C7	H2	119.7°	119.1°
N15	C14	C13	114.7°	120.0°
C14	N15	C16	130.0°	120.0°
C14	N15	H14	115.0°	120.0°
C14	C13	C12	121.4°	120.0°
C14	C13	H4	119.3°	120.0°
N15	C16	N18	119.2°	120.0°
C16	N15	H14	115.0°	119.9°
C16	N18	C19	122.0°	120.1°
C16	N18	H13	119.0°	120.0°
C12	C13	H4	119.3°	120.0°
C13	C12	H15	119.5°	120.0°
N18	C19	O20	124.5°	119.9°
N18	C19	C21	115.3°	120.0°
C19	N18	H13	119.0°	119.9°
O20	C19	C21	120.2°	120.0°
C19	C21	C22	113.0°	109.4°
C19	C21	H5	108.6°	109.5°
C19	C21	H6	108.6°	109.4°
C21	C22	C27	120.2°	120.0°
C21	C22	C23	120.0°	120.0°
C22	C21	H5	108.6°	109.5°
C22	C21	H6	108.6°	109.5°
C27	C22	C23	119.9°	120.0°
C22	C27	C26	120.1°	120.0°
C22	C27	H10	119.9°	120.0°
C22	C23	C24	119.9°	120.0°
C22	C23	H12	120.0°	120.0°
C27	C26	C25	120.1°	120.0°
C27	C26	H8	120.0°	120.0°
C26	C27	H10	119.9°	120.0°
C23	C24	C25	119.8°	120.0°
C23	C24	H7	120.1°	120.0°
C24	C23	H12	120.1°	120.0°
C26	C25	C24	120.2°	120.0°
C25	C26	H8	120.0°	120.0°
C26	C25	H11	119.9°	120.0°
C25	C24	H7	120.1°	120.0°
C24	C25	H11	119.9°	120.0°
H5	C21	H6	109.5°	109.5°
H18	C34	H19	109.5°	109.5°
H18	C34	H20	109.4°	109.5°
H19	C34	H20	109.4°	109.5°
H21	C1	H22	109.5°	109.5°
H21	C1	H23	109.5°	109.5°
H22	C1	H23	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C28	C29	C11	H16	180.0°	179.8°
C28	C29	C11	O10	179.2°	179.9°
C29	C28	C14	H9	180.0°	180.0°
C28	C29	C11	C12	0.2°	0.3°
C29	C28	C14	N15	180.0°	180.0°
C29	C28	C14	C13	0.2°	0.0°
C29	C11	O10	C9	106.2°	78.3°
C29	C11	O10	C12	179.4°	179.8°
C11	C29	C28	C14	0.2°	0.2°
C29	C11	C12	C13	0.3°	0.0°
C11	C29	C28	H9	179.8°	179.8°
C29	C11	C12	H15	179.7°	180.0°
C34	O33	C32	C31	15.8°	0.0°
C34	O33	C32	C3	165.5°	179.8°
O33	C34	H18	H19	120.0°	120.0°
O33	C34	H18	H20	120.0°	120.0°
O33	C34	H19	H20	120.0°	120.0°
O33	C32	C31	C3	178.7°	179.8°
O33	C32	C31	C30	179.4°	180.0°
O33	C32	C3	O2	0.5°	0.2°
O33	C32	C3	C4	179.1°	179.7°
O33	C32	C31	H17	0.6°	0.0°
C32	O33	C34	H18	180.0°	180.0°
C32	O33	C34	H19	60.0°	60.0°
C32	O33	C34	H20	60.0°	60.0°
C32	C31	C30	H17	180.0°	180.0°
C31	C32	C3	O2	179.3°	180.0°
C31	C32	C3	C4	0.3°	0.5°
C32	C31	C30	C9	179.0°	180.0°
C32	C31	C30	C5	0.5°	0.0°
C3	C32	C31	C30	0.7°	0.2°
C32	C3	O2	C4	179.6°	179.5°
C32	C3	O2	C1	178.6°	180.0°
C32	C3	C4	C5	0.2°	0.5°
C32	C3	C4	H1	179.8°	179.8°
C3	C32	C31	H17	179.3°	179.8°
C31	C30	C9	O10	0.9°	0.0°
C31	C30	C9	C5	179.5°	180.0°
C31	C30	C9	C8	179.5°	180.0°
C31	C30	C5	C4	0.0°	0.0°
C31	C30	C5	N6	179.7°	180.0°
S17	C16	N15	C14	0.4°	4.2°
S17	C16	N15	N18	179.0°	180.0°
S17	C16	N18	C19	179.5°	0.0°
S17	C16	N18	H13	0.5°	179.9°
S17	C16	N15	H14	179.7°	175.8°
O10	C9	C30	C8	179.6°	180.0°
O10	C9	C30	C5	179.7°	179.9°
O10	C9	C8	C7	179.6°	180.0°
C9	O10	C11	C12	73.2°	101.9°
O10	C9	C8	H3	0.4°	0.0°
C11	O10	C9	C30	159.4°	176.2°
C11	O10	C9	C8	21.0°	3.8°
O10	C11	C12	C13	179.1°	179.8°
O10	C11	C12	H15	0.8°	0.2°
O10	C11	C29	H16	0.8°	0.2°
O2	C3	C4	C5	179.8°	180.0°
O2	C3	C4	H1	0.2°	0.2°
C3	O2	C1	H21	180.0°	60.0°
C3	O2	C1	H22	60.0°	60.1°
C3	O2	C1	H23	60.0°	180.0°
C1	O2	C3	C4	1.8°	0.5°
O2	C1	H21	H22	120.0°	120.0°
O2	C1	H21	H23	120.0°	120.0°
O2	C1	H22	H23	120.0°	119.9°
C3	C4	C5	C30	0.3°	0.3°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	N6	179.3°	179.8°
C28	C14	N15	C13	179.8°	180.0°
C28	C14	N15	C16	0.3°	45.4°
C28	C14	C13	C12	0.3°	0.2°
C28	C14	C13	H4	179.7°	180.0°
C28	C14	N15	H14	179.7°	134.6°
C14	C28	C29	H16	179.9°	180.0°
C9	C30	C5	C4	179.5°	180.0°
C9	C30	C5	N6	0.2°	0.1°
C30	C9	C8	C7	0.0°	0.0°
C30	C9	C8	H3	180.0°	180.0°
C9	C30	C31	H17	1.0°	0.0°
C5	C30	C9	C8	0.1°	0.0°
C30	C5	C4	N6	179.7°	179.9°
C30	C5	N6	C7	0.2°	0.1°
C30	C5	C4	H1	179.7°	180.0°
C5	C30	C31	H17	179.5°	180.0°
C9	C8	C7	H3	180.0°	180.0°
C9	C8	C7	N6	0.1°	0.0°
C9	C8	C7	H2	179.9°	180.0°
C4	C5	N6	C7	179.5°	180.0°
C5	N6	C7	C8	0.0°	0.1°
N6	C5	C4	H1	0.7°	0.0°
C5	N6	C7	H2	180.0°	180.0°
C8	C7	N6	H2	180.0°	179.9°
C11	C12	C13	C14	0.4°	0.2°
C11	C12	C13	H15	180.0°	179.9°
C11	C12	C13	H4	179.6°	180.0°
C12	C11	C29	H16	179.8°	180.0°
N6	C7	C8	H3	179.9°	180.0°
C14	N15	C16	H14	180.0°	180.0°
C14	N15	C16	N18	179.4°	175.8°
N15	C14	C13	C12	179.8°	179.8°
N15	C14	C13	H4	0.1°	0.0°
N15	C14	C28	H9	0.0°	0.0°
C13	C14	N15	C16	179.5°	134.5°
C14	C13	C12	H4	180.0°	179.8°
C13	C14	C28	H9	179.8°	180.0°
C13	C14	N15	H14	0.5°	45.5°
C14	C13	C12	H15	179.6°	179.8°
N15	C16	N18	C19	0.4°	180.0°
N15	C16	N18	H13	179.6°	0.0°
C16	N18	C19	H13	180.0°	179.9°
C16	N18	C19	O20	1.8°	0.0°
C16	N18	C19	C21	179.5°	180.0°
N18	C16	N15	H14	0.6°	4.2°
N18	C19	O20	C21	178.7°	179.9°
N18	C19	C21	C22	174.9°	180.0°
N18	C19	C21	H5	54.3°	60.0°
N18	C19	C21	H6	64.6°	60.0°
O20	C19	C21	C22	3.9°	0.0°
O20	C19	C21	H5	124.4°	119.9°
O20	C19	C21	H6	116.6°	120.0°
O20	C19	N18	H13	178.2°	180.0°
C19	C21	C22	H5	120.5°	120.0°
C19	C21	C22	H6	120.5°	119.9°
C19	C21	C22	C27	81.2°	90.0°
C19	C21	C22	C23	100.1°	90.3°
C19	C21	H5	H6	118.4°	120.0°
C21	C19	N18	H13	0.5°	0.1°
C21	C22	C27	C23	178.7°	179.7°
C21	C22	C27	C26	179.1°	180.0°
C21	C22	C23	C24	179.3°	180.0°
C22	C21	H5	H6	118.4°	120.0°
C21	C22	C27	H10	0.8°	0.0°
C21	C22	C23	H12	0.7°	0.1°
C22	C27	C26	H10	180.0°	180.0°
C27	C22	C23	C24	0.6°	0.4°
C22	C27	C26	C25	0.2°	0.0°
C27	C22	C21	H5	39.3°	150.0°
C27	C22	C21	H6	158.3°	30.0°
C22	C27	C26	H8	179.8°	179.7°
C27	C22	C23	H12	179.4°	179.8°
C23	C22	C27	C26	0.5°	0.3°
C22	C23	C24	H12	180.0°	179.9°
C22	C23	C24	C25	0.5°	0.1°
C23	C22	C21	H5	139.3°	29.7°
C23	C22	C21	H6	20.4°	149.7°
C22	C23	C24	H7	179.5°	179.7°
C23	C22	C27	H10	179.5°	179.7°
C27	C26	C25	H8	180.0°	179.7°
C27	C26	C25	C24	0.1°	0.3°
C27	C26	C25	H11	179.9°	179.7°
C23	C24	C25	C26	0.3°	0.2°
C23	C24	C25	H7	180.0°	179.8°
C23	C24	C25	H11	179.7°	179.7°
C26	C25	C24	H11	180.0°	179.9°
C26	C25	C24	H7	179.7°	180.0°
C25	C26	C27	H10	179.7°	180.0°
C24	C25	C26	H8	179.9°	180.0°
C25	C24	C23	H12	179.5°	180.0°
H2	C7	C8	H3	0.0°	0.1°
H4	C13	C12	H15	0.3°	0.0°
H7	C24	C25	H11	0.3°	0.1°
H7	C24	C23	H12	0.5°	0.2°
H8	C26	C27	H10	0.3°	0.3°
H8	C26	C25	H11	0.1°	0.1°
H9	C28	C29	H16	0.1°	0.0°
H18	C34	H19	H20	120.0°	120.0°
H21	C1	H22	H23	120.0°	120.0°

Release date:	2013-08-14
Definition date:	2012-08-21
Last modified:	2013-08-09
Release status:	REL
Processing site:	PDBJ
Derived from:	3VW8