DJ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O15	C27	doub	1.21Å	1.22Å
C27	C28	sing	1.51Å	1.51Å
C28	C29	sing	1.53Å	1.53Å
O16	C36	sing	1.43Å	1.45Å
O16	C31	sing	1.36Å	1.39Å
C36	C37	sing	1.51Å	1.51Å
C29	C30	sing	1.51Å	1.52Å
C31	C30	doub	1.39Å	1.40Å	Aromatic
C31	C32	sing	1.39Å	1.40Å	Aromatic
C30	C35	sing	1.38Å	1.39Å	Aromatic
F	C32	sing	1.35Å	1.35Å
C37	C38	doub	1.38Å	1.39Å	Aromatic
C37	C42	sing	1.38Å	1.39Å	Aromatic
C32	C33	doub	1.38Å	1.37Å	Aromatic
C38	C39	sing	1.38Å	1.39Å	Aromatic
C35	C34	doub	1.38Å	1.37Å	Aromatic
C42	C41	doub	1.38Å	1.39Å	Aromatic
C33	C34	sing	1.39Å	1.37Å	Aromatic
C34	F1	sing	1.35Å	1.36Å
C39	C40	doub	1.38Å	1.38Å	Aromatic
C41	C40	sing	1.38Å	1.38Å	Aromatic
C27	H1	sing	1.08Å	1.08Å
C28	H2	sing	1.09Å	1.10Å
C28	H3	sing	1.09Å	1.10Å
C29	H4	sing	1.09Å	1.10Å
C29	H5	sing	1.09Å	1.10Å
C33	H6	sing	1.08Å	1.08Å
C35	H7	sing	1.08Å	1.08Å
C36	H8	sing	1.09Å	1.10Å
C36	H9	sing	1.09Å	1.10Å
C38	H10	sing	1.08Å	1.08Å
C39	H11	sing	1.08Å	1.08Å
C40	H12	sing	1.08Å	1.08Å
C41	H13	sing	1.08Å	1.08Å
C42	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O15	C27	C28	121.2°	120.0°
O15	C27	H1	119.4°	120.0°
C27	C28	C29	111.8°	109.5°
C28	C27	H1	119.4°	120.0°
C27	C28	H2	108.9°	109.5°
C27	C28	H3	108.9°	109.5°
C28	C29	C30	119.0°	109.5°
C29	C28	H2	108.9°	109.4°
C29	C28	H3	108.9°	109.5°
C28	C29	H4	107.0°	109.4°
C28	C29	H5	107.0°	109.4°
C36	O16	C31	120.9°	117.1°
O16	C36	C37	114.6°	109.5°
O16	C36	H8	108.2°	109.5°
O16	C36	H9	108.2°	109.5°
O16	C31	C30	119.8°	120.1°
O16	C31	C32	121.7°	120.0°
C36	C37	C38	121.1°	120.1°
C36	C37	C42	120.5°	120.0°
C37	C36	H8	108.2°	109.5°
C37	C36	H9	108.2°	109.5°
C29	C30	C31	124.2°	120.0°
C29	C30	C35	117.0°	120.0°
C30	C29	H4	107.1°	109.5°
C30	C29	H5	107.1°	109.5°
C30	C31	C32	118.5°	119.9°
C31	C30	C35	118.7°	120.0°
C31	C32	F	118.5°	120.0°
C31	C32	C33	123.1°	119.9°
C30	C35	C34	119.7°	120.1°
C30	C35	H7	120.2°	120.0°
F	C32	C33	118.3°	120.0°
C38	C37	C42	118.3°	120.0°
C37	C38	C39	120.7°	120.0°
C37	C38	H10	119.7°	120.0°
C37	C42	C41	120.8°	120.0°
C37	C42	H14	119.6°	120.0°
C32	C33	C34	116.5°	120.0°
C32	C33	H6	121.8°	120.0°
C38	C39	C40	120.3°	120.0°
C39	C38	H10	119.6°	120.0°
C38	C39	H11	119.9°	120.0°
C35	C34	C33	123.5°	120.0°
C35	C34	F1	118.3°	120.0°
C34	C35	H7	120.2°	119.9°
C42	C41	C40	120.2°	120.0°
C42	C41	H13	119.9°	120.0°
C41	C42	H14	119.6°	120.0°
C33	C34	F1	118.2°	120.0°
C34	C33	H6	121.7°	120.0°
C39	C40	C41	119.7°	120.0°
C40	C39	H11	119.9°	120.0°
C39	C40	H12	120.2°	120.0°
C41	C40	H12	120.2°	120.0°
C40	C41	H13	119.9°	120.0°
H2	C28	H3	109.5°	109.5°
H4	C29	H5	109.4°	109.5°
H8	C36	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O15	C27	C28	H1	180.0°	179.7°
O15	C27	C28	C29	166.6°	125.3°
O15	C27	C28	H2	73.1°	114.7°
O15	C27	C28	H3	46.2°	5.3°
C27	C28	C29	H2	120.3°	120.0°
C27	C28	C29	H3	120.4°	120.0°
C27	C28	C29	C30	136.3°	NaN°
C27	C28	H2	H3	118.9°	120.0°
C27	C28	C29	H4	102.3°	60.0°
C27	C28	C29	H5	14.9°	60.0°
C28	C29	C30	H4	121.4°	120.0°
C28	C29	C30	H5	121.4°	120.0°
C28	C29	C30	C31	23.4°	85.2°
C28	C29	C30	C35	159.6°	95.0°
C29	C28	C27	H1	13.4°	55.0°
C29	C28	H2	H3	118.9°	120.0°
C28	C29	H4	H5	115.7°	120.0°
O16	C36	C37	H8	120.8°	120.0°
O16	C36	C37	H9	120.8°	120.0°
C36	O16	C31	C30	131.5°	89.9°
C36	O16	C31	C32	51.5°	90.0°
O16	C36	C37	C38	68.8°	90.0°
O16	C36	C37	C42	114.8°	90.3°
O16	C36	H8	H9	117.7°	120.0°
C31	O16	C36	C37	34.6°	180.0°
O16	C31	C30	C29	0.1°	0.1°
O16	C31	C30	C32	177.1°	179.9°
O16	C31	C30	C35	176.9°	179.7°
O16	C31	C32	F	2.2°	0.1°
O16	C31	C32	C33	176.9°	180.0°
C31	O16	C36	H8	86.2°	60.0°
C31	O16	C36	H9	155.3°	60.0°
C36	C37	C38	C42	176.5°	179.7°
C36	C37	C38	C39	175.5°	180.0°
C36	C37	C42	C41	175.7°	179.8°
C37	C36	H8	H9	117.6°	119.9°
C36	C37	C38	H10	4.5°	0.0°
C36	C37	C42	H14	4.3°	0.0°
C29	C30	C31	C35	177.0°	179.8°
C29	C30	C31	C32	177.3°	180.0°
C29	C30	C35	C34	177.0°	179.6°
C30	C29	C28	H2	16.0°	60.0°
C30	C29	C28	H3	103.3°	60.0°
C30	C29	H4	H5	115.7°	120.0°
C29	C30	C35	H7	3.0°	0.0°
C30	C31	C32	F	179.2°	180.0°
C30	C31	C32	C33	0.2°	0.1°
C31	C30	C35	C34	0.2°	0.6°
C31	C30	C29	H4	144.7°	34.8°
C31	C30	C29	H5	98.0°	154.8°
C31	C30	C35	H7	179.8°	179.8°
C32	C31	C30	C35	0.2°	0.2°
C31	C32	F	C33	179.1°	180.0°
C31	C32	C33	C34	0.4°	0.0°
C31	C32	C33	H6	179.6°	180.0°
C30	C35	C34	H7	180.0°	179.7°
C30	C35	C34	C33	0.8°	0.7°
C30	C35	C34	F1	178.0°	179.7°
C35	C30	C29	H4	38.2°	145.0°
C35	C30	C29	H5	79.0°	25.0°
F	C32	C33	C34	178.7°	179.9°
F	C32	C33	H6	1.3°	0.0°
C37	C38	C39	H10	180.0°	180.0°
C38	C37	C42	C41	0.8°	0.5°
C37	C38	C39	C40	0.5°	0.0°
C38	C37	C36	H8	170.4°	150.0°
C38	C37	C36	H9	52.0°	30.0°
C37	C38	C39	H11	179.5°	180.0°
C38	C37	C42	H14	179.2°	179.7°
C42	C37	C38	C39	1.0°	0.3°
C37	C42	C41	H14	180.0°	179.8°
C37	C42	C41	C40	0.2°	0.5°
C42	C37	C36	H8	6.0°	29.8°
C42	C37	C36	H9	124.5°	149.7°
C42	C37	C38	H10	179.0°	179.7°
C37	C42	C41	H13	179.8°	179.7°
C32	C33	C34	C35	0.9°	0.4°
C32	C33	C34	H6	180.0°	179.9°
C32	C33	C34	F1	178.0°	180.0°
C38	C39	C40	H11	180.0°	180.0°
C38	C39	C40	C41	0.2°	0.0°
C38	C39	C40	H12	179.9°	180.0°
C35	C34	C33	F1	178.9°	179.6°
C35	C34	C33	H6	179.1°	179.6°
C42	C41	C40	C39	0.3°	0.2°
C42	C41	C40	H13	180.0°	179.8°
C42	C41	C40	H12	179.7°	179.8°
C33	C34	C35	H7	179.2°	179.7°
F1	C34	C33	H6	2.0°	0.1°
F1	C34	C35	H7	2.0°	0.1°
C39	C40	C41	H12	180.0°	179.9°
C40	C39	C38	H10	179.5°	180.0°
C39	C40	C41	H13	179.7°	180.0°
C41	C40	C39	H11	179.9°	180.0°
C40	C41	C42	H14	179.8°	179.7°
H1	C27	C28	H2	106.9°	65.0°
H1	C27	C28	H3	133.8°	175.0°
H2	C28	C29	H4	137.3°	180.0°
H2	C28	C29	H5	105.4°	60.0°
H3	C28	C29	H4	18.0°	60.0°
H3	C28	C29	H5	135.3°	180.0°
H10	C38	C39	H11	0.5°	0.0°
H11	C39	C40	H12	0.1°	0.1°
H12	C40	C41	H13	0.3°	0.0°
H13	C41	C42	H14	0.2°	0.1°

Release date:	2020-03-25
Definition date:	2019-07-31
Last modified:	2020-03-20
Release status:	REL
Processing site:	PDBJ
Derived from:	6KGP