WFF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O23	C15	sing	1.35Å	1.36Å
O23	C17	sing	1.45Å	1.42Å
O20	C15	doub	1.22Å	1.22Å
C15	C13	sing	1.47Å	1.47Å
C17	C14	sing	1.51Å	1.49Å
C13	C14	doub	1.36Å	1.34Å
C13	C8	sing	1.48Å	1.45Å
C14	C7	sing	1.47Å	1.47Å
C8	C2	doub	1.39Å	1.38Å	Aromatic
C8	C12	sing	1.40Å	1.37Å	Aromatic
C2	C4	sing	1.38Å	1.38Å	Aromatic
C5	C7	doub	1.40Å	1.38Å	Aromatic
C5	C9	sing	1.38Å	1.38Å	Aromatic
C7	C1	sing	1.40Å	1.39Å	Aromatic
F25	C12	sing	1.35Å	1.34Å
C12	C6	doub	1.38Å	1.37Å	Aromatic
N19	C9	sing	1.40Å	1.39Å
N19	C16	sing	1.35Å	1.37Å
C4	C11	doub	1.39Å	1.38Å	Aromatic
C9	C10	doub	1.40Å	1.37Å	Aromatic
C1	C3	doub	1.38Å	1.38Å	Aromatic
C6	C11	sing	1.39Å	1.37Å	Aromatic
O21	C16	doub	1.21Å	1.23Å
C11	F24	sing	1.35Å	1.34Å
C16	C18	sing	1.51Å	1.51Å
C10	C3	sing	1.39Å	1.38Å	Aromatic
C10	O22	sing	1.36Å	1.37Å
O22	C18	sing	1.43Å	1.45Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
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
C17	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
N19	H11	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	O23	C17	109.6°	108.2°
O23	C15	O20	125.9°	124.9°
O23	C15	C13	109.5°	110.2°
O23	C17	C14	104.0°	106.2°
O23	C17	H7	110.8°	110.5°
O23	C17	H8	110.8°	109.8°
O20	C15	C13	124.6°	124.9°
C15	C13	C14	106.2°	108.9°
C15	C13	C8	120.9°	125.6°
C17	C14	C13	110.6°	106.5°
C17	C14	C7	117.7°	126.8°
C14	C17	H7	110.8°	110.1°
C14	C17	H8	110.8°	110.1°
C14	C13	C8	132.8°	125.5°
C13	C14	C7	131.7°	126.7°
C13	C8	C2	121.4°	120.1°
C13	C8	C12	119.1°	120.1°
C14	C7	C5	119.1°	120.1°
C14	C7	C1	121.9°	120.1°
C2	C8	C12	119.5°	119.8°
C8	C2	C4	118.3°	119.9°
C8	C2	H2	120.9°	120.0°
C8	C12	F25	119.2°	120.1°
C8	C12	C6	122.5°	119.9°
C2	C4	C11	121.0°	120.2°
C4	C2	H2	120.9°	120.1°
C2	C4	H4	119.5°	119.9°
C7	C5	C9	120.6°	119.7°
C5	C7	C1	119.0°	119.8°
C7	C5	H5	119.7°	120.2°
C5	C9	N19	120.4°	120.6°
C5	C9	C10	120.0°	120.1°
C9	C5	H5	119.7°	120.1°
C7	C1	C3	120.1°	120.0°
C7	C1	H1	119.9°	120.0°
F25	C12	C6	118.2°	120.1°
C12	C6	C11	117.7°	120.1°
C12	C6	H6	121.2°	120.0°
C9	N19	C16	122.4°	119.2°
N19	C9	C10	119.6°	119.2°
C9	N19	H11	118.8°	120.5°
N19	C16	O21	124.9°	120.2°
N19	C16	C18	112.3°	119.6°
C16	N19	H11	118.8°	120.3°
C4	C11	C6	121.0°	120.2°
C4	C11	F24	123.1°	119.9°
C11	C4	H4	119.5°	119.9°
C9	C10	C3	120.1°	120.2°
C9	C10	O22	119.3°	119.3°
C1	C3	C10	120.1°	120.1°
C3	C1	H1	119.9°	120.0°
C1	C3	H3	120.0°	119.9°
C6	C11	F24	115.9°	119.9°
C11	C6	H6	121.2°	120.0°
O21	C16	C18	122.8°	120.1°
C16	C18	O22	111.9°	109.6°
C16	C18	H9	108.9°	109.4°
C16	C18	H10	108.9°	109.5°
C3	C10	O22	120.5°	120.5°
C10	C3	H3	119.9°	119.9°
C10	O22	C18	111.8°	116.8°
O22	C18	H9	108.9°	110.1°
O22	C18	H10	108.9°	108.8°
H7	C17	H8	109.5°	110.1°
H9	C18	H10	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O23	C15	O20	C13	178.9°	180.0°
C15	O23	C17	C14	1.1°	0.4°
O23	C15	C13	C14	0.9°	0.0°
O23	C15	C13	C8	179.8°	179.7°
C15	O23	C17	H7	118.0°	119.0°
C15	O23	C17	H8	120.2°	119.4°
C17	O23	C15	O20	179.6°	179.7°
C17	O23	C15	C13	1.3°	0.3°
O23	C17	C14	H7	119.1°	119.6°
O23	C17	C14	H8	119.1°	118.8°
O23	C17	C14	C13	0.5°	0.4°
O23	C17	C14	C7	178.9°	179.6°
O23	C17	H7	H8	122.5°	121.4°
O20	C15	C13	C14	180.0°	180.0°
O20	C15	C13	C8	0.7°	0.3°
C15	C13	C14	C17	0.2°	0.3°
C15	C13	C14	C8	179.2°	179.7°
C15	C13	C14	C7	179.5°	179.8°
C15	C13	C8	C2	56.5°	75.3°
C15	C13	C8	C12	122.5°	104.6°
C17	C14	C13	C7	179.3°	180.0°
C17	C14	C13	C8	179.4°	180.0°
C17	C14	C7	C5	31.4°	65.0°
C17	C14	C7	C1	148.2°	115.0°
C14	C17	H7	H8	122.5°	121.6°
C14	C13	C8	C2	124.5°	105.0°
C14	C13	C8	C12	56.5°	75.1°
C13	C14	C7	C5	149.4°	115.0°
C13	C14	C7	C1	31.0°	65.0°
C13	C14	C17	H7	118.6°	119.2°
C13	C14	C17	H8	119.7°	119.2°
C8	C13	C14	C7	1.4°	0.0°
C13	C8	C2	C12	179.0°	179.9°
C13	C8	C2	C4	179.0°	180.0°
C13	C8	C12	F25	0.4°	0.0°
C13	C8	C12	C6	180.0°	179.5°
C13	C8	C2	H2	1.0°	0.2°
C14	C7	C5	C1	179.6°	180.0°
C14	C7	C5	C9	180.0°	179.5°
C14	C7	C1	C3	179.8°	179.9°
C14	C7	C1	H1	0.2°	0.3°
C14	C7	C5	H5	0.0°	0.0°
C7	C14	C17	H7	62.0°	60.8°
C7	C14	C17	H8	59.7°	60.8°
C8	C2	C4	H2	180.0°	179.8°
C2	C8	C12	F25	179.4°	180.0°
C2	C8	C12	C6	1.0°	0.6°
C8	C2	C4	C11	0.8°	0.2°
C8	C2	C4	H4	179.2°	179.7°
C12	C8	C2	C4	0.0°	0.0°
C8	C12	F25	C6	179.6°	179.4°
C8	C12	C6	C11	1.2°	0.9°
C12	C8	C2	H2	180.0°	179.7°
C8	C12	C6	H6	178.8°	179.7°
C2	C4	C11	H4	180.0°	180.0°
C2	C4	C11	C6	0.6°	0.0°
C2	C4	C11	F24	179.6°	180.0°
C7	C5	C9	H5	180.0°	179.5°
C7	C5	C9	N19	178.9°	180.0°
C7	C5	C9	C10	0.2°	0.7°
C5	C7	C1	C3	0.2°	0.0°
C5	C7	C1	H1	179.8°	179.7°
C9	C5	C7	C1	0.4°	0.5°
C5	C9	N19	C10	179.1°	179.3°
C5	C9	N19	C16	166.9°	165.2°
C5	C9	C10	C3	1.0°	0.4°
C5	C9	C10	O22	178.0°	179.9°
C5	C9	N19	H11	13.0°	15.5°
C7	C1	C3	H1	180.0°	179.7°
C7	C1	C3	C10	0.6°	0.3°
C7	C1	C3	H3	179.4°	179.7°
C1	C7	C5	H5	179.6°	180.0°
F25	C12	C6	C11	179.2°	179.7°
F25	C12	C6	H6	0.8°	0.2°
C12	C6	C11	C4	0.4°	0.6°
C12	C6	C11	H6	180.0°	179.5°
C12	C6	C11	F24	179.4°	179.5°
C9	N19	C16	H11	180.0°	179.3°
C9	N19	C16	O21	173.0°	176.8°
C9	N19	C16	C18	7.0°	3.1°
N19	C9	C10	C3	178.1°	179.8°
N19	C9	C10	O22	1.1°	0.6°
N19	C9	C5	H5	1.1°	0.5°
C16	N19	C9	C10	14.0°	14.1°
N19	C16	O21	C18	180.0°	179.9°
N19	C16	C18	O22	40.9°	32.1°
N19	C16	C18	H9	79.5°	88.7°
N19	C16	C18	H10	161.3°	151.4°
C4	C11	C6	F24	179.8°	179.9°
C11	C4	C2	H2	179.3°	180.0°
C4	C11	C6	H6	179.6°	179.9°
C9	C10	C3	C1	1.2°	0.1°
C9	C10	C3	O22	177.0°	179.6°
C9	C10	O22	C18	35.7°	32.9°
C9	C10	C3	H3	178.8°	180.0°
C10	C9	C5	H5	179.8°	179.8°
C10	C9	N19	H11	166.1°	165.2°
C1	C3	C10	H3	180.0°	179.9°
C1	C3	C10	O22	178.1°	179.5°
C6	C11	C4	H4	179.4°	180.0°
O21	C16	C18	O22	139.1°	147.8°
O21	C16	C18	H9	100.5°	91.4°
O21	C16	C18	H10	18.7°	28.5°
O21	C16	N19	H11	7.1°	2.4°
F24	C11	C4	H4	0.4°	0.1°
F24	C11	C6	H6	0.6°	0.0°
C16	C18	O22	C10	55.3°	46.6°
C16	C18	O22	H9	120.4°	120.3°
C16	C18	O22	H10	120.4°	119.7°
C16	C18	H9	H10	118.9°	119.9°
C18	C16	N19	H11	172.9°	177.7°
C3	C10	O22	C18	147.3°	147.5°
C10	C3	C1	H1	179.4°	180.0°
O22	C10	C3	H3	1.8°	0.4°
C10	O22	C18	H9	65.0°	73.8°
C10	O22	C18	H10	175.7°	166.2°
O22	C18	H9	H10	118.9°	119.6°
H1	C1	C3	H3	0.6°	0.1°
H2	C2	C4	H4	0.8°	0.0°

Release date:	2013-08-21
Definition date:	2013-08-06
Last modified:	2013-08-16
Release status:	REL
Processing site:	PDBJ
Derived from:	3WFF