8VW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6,	C6,	sing	1.43Å	1.46Å
C6,	C5,	sing	1.53Å	1.53Å
O5,	C5,	sing	1.43Å	1.43Å
O5,	C1,	sing	1.43Å	1.44Å
O35	C33	doub	1.21Å	1.23Å
O2	C2	sing	1.43Å	1.44Å
C5,	C4,	sing	1.53Å	1.55Å
C34	C33	sing	1.51Å	1.50Å
C33	N1	sing	1.35Å	1.34Å
C3	O3	sing	1.43Å	1.42Å
C3	C2	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
N1	C1,	sing	1.47Å	1.43Å
C1	C2	sing	1.53Å	1.50Å
C1	O1	sing	1.43Å	1.44Å
C1	O5	sing	1.43Å	1.46Å
C1,	C2,	sing	1.53Å	1.55Å
C4,	O1	sing	1.43Å	1.40Å
C4,	C3,	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.52Å
C5	O5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.45Å
O6	C6	sing	1.43Å	1.41Å
C2,	C3,	sing	1.53Å	1.50Å
C2,	N2	sing	1.46Å	1.45Å
C3,	O3,	sing	1.43Å	1.44Å
O37	C36	doub	1.21Å	1.22Å
N2	C36	sing	1.35Å	1.34Å
C36	C38	sing	1.48Å	1.52Å
C38	C39	doub	1.40Å	1.42Å	Aromatic
C38	C43	sing	1.40Å	1.40Å	Aromatic
C39	C40	sing	1.38Å	1.42Å	Aromatic
C43	C42	doub	1.38Å	1.38Å	Aromatic
C40	C41	doub	1.38Å	1.42Å	Aromatic
C42	C41	sing	1.39Å	1.42Å	Aromatic
C42	O44	sing	1.36Å	1.37Å
C45	O44	sing	1.43Å	1.43Å
C34	H1	sing	1.09Å	1.10Å
C34	H2	sing	1.09Å	1.10Å
C34	H3	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å
C1,	H5	sing	1.09Å	1.10Å
C2,	H6	sing	1.09Å	1.10Å
N2	H7	sing	0.97Å	1.00Å
C39	H8	sing	1.08Å	1.08Å
C40	H9	sing	1.08Å	1.08Å
C41	H10	sing	1.08Å	1.08Å
C45	H11	sing	1.09Å	1.10Å
C45	H12	sing	1.09Å	1.10Å
C45	H13	sing	1.09Å	1.10Å
C43	H14	sing	1.08Å	1.08Å
C5,	H15	sing	1.09Å	1.10Å
C6,	H16	sing	1.09Å	1.10Å
C6,	H17	sing	1.09Å	1.10Å
O6,	H18	sing	0.97Å	0.95Å
C4,	H19	sing	1.09Å	1.10Å
C3,	H20	sing	1.09Å	1.10Å
O3,	H21	sing	0.97Å	0.95Å
C1	H22	sing	1.09Å	1.10Å
C2	H23	sing	1.09Å	1.10Å
O2	H24	sing	0.97Å	0.95Å
C3	H25	sing	1.09Å	1.10Å
O3	H26	sing	0.97Å	0.95Å
C4	H27	sing	1.09Å	1.10Å
O4	H28	sing	0.97Å	0.95Å
C5	H29	sing	1.09Å	1.10Å
C6	H30	sing	1.09Å	1.10Å
C6	H31	sing	1.09Å	1.10Å
O6	H32	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6,	C6,	C5,	113.3°	109.5°
O6,	C6,	H16	108.5°	109.4°
O6,	C6,	H17	108.5°	109.5°
C6,	O6,	H18	109.5°	114.0°
C6,	C5,	O5,	106.0°	109.5°
C6,	C5,	C4,	113.1°	109.5°
C6,	C5,	H15	109.9°	109.5°
C5,	C6,	H16	108.5°	109.5°
C5,	C6,	H17	108.5°	109.5°
C5,	O5,	C1,	112.2°	114.1°
O5,	C5,	C4,	106.4°	109.4°
O5,	C5,	H15	111.5°	109.4°
O5,	C1,	N1	110.5°	109.5°
O5,	C1,	C2,	108.6°	109.4°
O5,	C1,	H5	111.2°	109.5°
O35	C33	C34	122.0°	120.0°
O35	C33	N1	122.2°	120.0°
O2	C2	C3	107.9°	109.6°
O2	C2	C1	111.6°	109.5°
O2	C2	H23	110.3°	109.5°
C2	O2	H24	109.5°	114.0°
C5,	C4,	O1	109.1°	109.5°
C5,	C4,	C3,	110.4°	109.2°
C4,	C5,	H15	109.8°	109.5°
C5,	C4,	H19	108.9°	109.6°
C34	C33	N1	115.8°	120.0°
C33	C34	H1	109.5°	109.5°
C33	C34	H2	109.5°	109.5°
C33	C34	H3	109.5°	109.4°
C33	N1	C1,	123.9°	120.0°
C33	N1	H4	118.1°	120.0°
O3	C3	C2	109.3°	109.5°
O3	C3	C4	110.7°	109.6°
O3	C3	H25	109.5°	109.5°
C3	O3	H26	109.5°	114.0°
C2	C3	C4	111.1°	109.1°
C3	C2	C1	108.3°	109.1°
C3	C2	H23	109.1°	109.5°
C2	C3	H25	108.1°	109.5°
C3	C4	C5	110.0°	109.1°
C3	C4	O4	109.2°	109.5°
C4	C3	H25	108.2°	109.6°
C3	C4	H27	107.6°	109.5°
N1	C1,	C2,	105.6°	109.4°
C1,	N1	H4	118.0°	120.0°
N1	C1,	H5	111.3°	109.5°
C2	C1	O1	104.8°	109.5°
C2	C1	O5	114.7°	109.4°
C2	C1	H22	108.4°	109.5°
C1	C2	H23	109.5°	109.5°
O1	C1	O5	110.7°	109.5°
C1	O1	C4,	110.9°	114.0°
O1	C1	H22	109.2°	109.4°
C1	O5	C5	111.7°	114.1°
O5	C1	H22	108.9°	109.5°
C1,	C2,	C3,	109.3°	109.2°
C1,	C2,	N2	108.6°	109.5°
C2,	C1,	H5	109.6°	109.5°
C1,	C2,	H6	109.4°	109.5°
O1	C4,	C3,	108.3°	109.5°
O1	C4,	H19	111.0°	109.5°
C4,	C3,	C2,	110.5°	109.0°
C4,	C3,	O3,	114.5°	109.5°
C3,	C4,	H19	109.2°	109.5°
C4,	C3,	H20	107.2°	109.5°
C4	C5	O5	109.8°	109.4°
C4	C5	C6	115.1°	109.5°
C5	C4	O4	113.7°	109.5°
C5	C4	H27	107.7°	109.6°
C4	C5	H29	107.9°	109.5°
O5	C5	C6	107.4°	109.5°
O5	C5	H29	108.8°	109.5°
C5	C6	O6	104.0°	109.5°
C6	C5	H29	107.7°	109.5°
C5	C6	H30	110.8°	109.5°
C5	C6	H31	110.8°	109.4°
O4	C4	H27	108.5°	109.6°
C4	O4	H28	109.5°	114.0°
O6	C6	H30	110.8°	109.5°
O6	C6	H31	110.8°	109.5°
C6	O6	H32	109.5°	114.0°
C3,	C2,	N2	108.8°	109.5°
C2,	C3,	O3,	108.8°	109.6°
C3,	C2,	H6	110.0°	109.5°
C2,	C3,	H20	107.4°	109.5°
C2,	N2	C36	125.4°	120.0°
N2	C2,	H6	110.8°	109.6°
C2,	N2	H7	117.3°	120.0°
O3,	C3,	H20	108.2°	109.6°
C3,	O3,	H21	109.5°	113.9°
O37	C36	N2	121.4°	120.0°
O37	C36	C38	119.5°	120.0°
N2	C36	C38	118.7°	120.0°
C36	N2	H7	117.3°	120.0°
C36	C38	C39	125.1°	120.2°
C36	C38	C43	113.9°	120.1°
C39	C38	C43	120.8°	119.8°
C38	C39	C40	119.0°	120.0°
C38	C39	H8	120.5°	120.0°
C38	C43	C42	120.7°	119.8°
C38	C43	H14	119.7°	120.1°
C39	C40	C41	119.0°	120.2°
C40	C39	H8	120.5°	120.0°
C39	C40	H9	120.5°	119.9°
C43	C42	C41	119.3°	120.1°
C43	C42	O44	118.0°	120.0°
C42	C43	H14	119.7°	120.1°
C40	C41	C42	121.2°	120.2°
C41	C40	H9	120.5°	119.9°
C40	C41	H10	119.4°	119.9°
C41	C42	O44	122.7°	120.0°
C42	C41	H10	119.4°	119.9°
C42	O44	C45	125.1°	117.0°
O44	C45	H11	109.5°	109.4°
O44	C45	H12	109.5°	109.4°
O44	C45	H13	109.5°	109.5°
H1	C34	H2	109.5°	109.5°
H1	C34	H3	109.5°	109.5°
H2	C34	H3	109.4°	109.5°
H11	C45	H12	109.4°	109.4°
H11	C45	H13	109.5°	109.5°
H12	C45	H13	109.5°	109.5°
H16	C6,	H17	109.5°	109.5°
H30	C6	H31	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6,	C6,	C5,	H16	120.6°	119.9°
O6,	C6,	C5,	H17	120.6°	120.0°
O6,	C6,	C5,	O5,	64.1°	64.5°
O6,	C6,	C5,	C4,	52.1°	175.6°
O6,	C6,	C5,	H15	175.3°	55.5°
O6,	C6,	H16	H17	118.2°	120.0°
C6,	C5,	O5,	C4,	120.7°	119.9°
C6,	C5,	O5,	H15	119.6°	120.0°
C6,	C5,	O5,	C1,	173.2°	178.9°
C6,	C5,	C4,	H15	123.2°	120.1°
C6,	C5,	C4,	O1	66.0°	62.6°
C6,	C5,	C4,	C3,	175.1°	177.6°
C5,	C6,	H16	H17	118.3°	120.0°
C5,	C6,	O6,	H18	180.0°	180.0°
C6,	C5,	C4,	H19	55.2°	57.6°
O5,	C5,	C4,	H15	120.8°	120.0°
C5,	O5,	C1,	N1	178.4°	178.9°
C5,	O5,	C1,	C2,	66.3°	61.1°
O5,	C5,	C4,	O1	178.0°	177.5°
O5,	C5,	C4,	C3,	59.1°	57.6°
C5,	O5,	C1,	H5	54.4°	58.9°
O5,	C5,	C6,	H16	175.4°	175.6°
O5,	C5,	C6,	H17	56.5°	55.5°
O5,	C5,	C4,	H19	60.8°	62.3°
C1,	O5,	C5,	C4,	66.2°	61.2°
O5,	C1,	N1	C33	92.5°	95.0°
O5,	C1,	N1	C2,	117.2°	120.0°
O5,	C1,	N1	H5	124.0°	120.0°
O5,	C1,	C2,	H5	121.6°	120.0°
O5,	C1,	C2,	C3,	57.4°	57.6°
O5,	C1,	C2,	N2	176.0°	177.5°
O5,	C1,	N1	H4	87.5°	84.9°
O5,	C1,	C2,	H6	63.1°	62.3°
C1,	O5,	C5,	H15	53.5°	58.9°
O35	C33	C34	N1	179.8°	179.7°
O35	C33	N1	C1,	0.7°	0.0°
O35	C33	C34	H1	0.0°	0.0°
O35	C33	C34	H2	120.0°	120.0°
O35	C33	C34	H3	120.0°	120.0°
O35	C33	N1	H4	179.4°	180.0°
O2	C2	C3	O3	63.7°	63.2°
O2	C2	C3	C1	120.9°	120.0°
O2	C2	C3	H23	119.9°	120.2°
O2	C2	C3	C4	173.9°	176.9°
O2	C2	C1	H23	122.5°	120.2°
O2	C2	C1	O1	66.6°	62.4°
O2	C2	C1	O5	171.8°	177.5°
O2	C2	C1	H22	49.8°	57.6°
O2	C2	C3	H25	55.3°	57.0°
C5,	C4,	O1	C1	110.3°	99.4°
C5,	C4,	O1	C3,	120.2°	119.7°
C5,	C4,	O1	H19	119.9°	120.2°
C5,	C4,	C3,	H19	119.7°	120.0°
C5,	C4,	C3,	C2,	55.0°	57.0°
C5,	C4,	C3,	O3,	178.3°	176.9°
C4,	C5,	C6,	H16	68.4°	55.7°
C4,	C5,	C6,	H17	172.7°	64.4°
C5,	C4,	C3,	H20	61.7°	62.8°
C34	C33	N1	C1,	179.2°	179.7°
C33	C34	H1	H2	120.0°	120.0°
C33	C34	H1	H3	120.0°	120.0°
C33	C34	H2	H3	120.0°	120.0°
C34	C33	N1	H4	0.8°	0.3°
C33	N1	C1,	H4	180.0°	180.0°
C33	N1	C1,	C2,	150.3°	145.0°
N1	C33	C34	H1	179.8°	179.7°
N1	C33	C34	H2	60.2°	59.7°
N1	C33	C34	H3	59.8°	60.3°
C33	N1	C1,	H5	31.5°	25.0°
O3	C3	C2	C4	122.4°	119.9°
O3	C3	C2	H25	119.1°	120.1°
O3	C3	C4	H25	119.9°	120.2°
O3	C3	C2	C1	175.3°	176.9°
O3	C3	C4	C5	178.7°	176.9°
O3	C3	C4	O4	53.4°	57.0°
O3	C3	C2	H23	56.1°	57.0°
O3	C3	C4	H27	64.3°	63.2°
C2	C3	C4	H25	118.5°	119.9°
C3	C2	C1	H23	118.9°	119.8°
C3	C2	C1	O1	174.8°	177.6°
C3	C2	C1	O5	53.2°	57.6°
C2	C3	C4	C5	57.2°	57.0°
C2	C3	C4	O4	68.2°	62.9°
C3	C2	C1	H22	68.8°	62.4°
C3	C2	O2	H24	180.0°	179.7°
C2	C3	O3	H26	180.0°	60.0°
C2	C3	C4	H27	174.2°	176.9°
C4	C3	C2	C1	53.0°	57.0°
C3	C4	C5	O4	122.7°	119.9°
C3	C4	C5	H27	117.0°	119.9°
C3	C4	C5	O5	58.8°	57.6°
C3	C4	C5	C6	180.0°	177.6°
C3	C4	O4	H27	117.1°	120.2°
C4	C3	C2	H23	66.2°	62.9°
C4	C3	O3	H26	57.4°	179.6°
C3	C4	O4	H28	180.0°	60.0°
C3	C4	C5	H29	59.7°	62.4°
N1	C1,	C2,	H5	119.9°	120.0°
N1	C1,	C2,	C3,	175.9°	177.6°
N1	C1,	C2,	N2	65.6°	62.5°
N1	C1,	C2,	H6	55.4°	57.7°
C2	C1	O1	O5	124.2°	120.0°
C2	C1	O1	H22	115.9°	120.0°
C2	C1	O5	H22	121.6°	120.0°
C2	C1	O1	C4,	168.5°	171.2°
C2	C1	O5	C5	57.2°	61.2°
C1	C2	O2	H24	61.1°	60.0°
C1	C2	C3	H25	65.6°	63.0°
O1	C1	O5	H22	120.0°	120.0°
C1	O1	C4,	C3,	129.5°	141.0°
O1	C1	O5	C5	175.6°	178.8°
C1	O1	C4,	H19	9.7°	20.8°
O1	C1	C2	H23	55.8°	57.7°
O5	C1	O1	C4,	67.3°	68.8°
C1	O5	C5	C4	57.9°	61.2°
C1	O5	C5	C6	176.3°	178.9°
O5	C1	C2	H23	65.8°	62.3°
C1	O5	C5	H29	60.0°	58.8°
C1,	C2,	C3,	C4,	53.2°	57.0°
C1,	C2,	C3,	N2	118.4°	119.9°
C1,	C2,	C3,	H6	120.1°	119.9°
C1,	C2,	N2	H6	120.1°	120.2°
C1,	C2,	C3,	O3,	179.8°	176.8°
C1,	C2,	N2	C36	98.3°	85.0°
C2,	C1,	N1	H4	29.7°	35.0°
C1,	C2,	N2	H7	81.7°	95.0°
C1,	C2,	C3,	H20	63.4°	62.8°
O1	C4,	C3,	H19	121.0°	120.1°
O1	C4,	C3,	C2,	174.4°	176.9°
O1	C4,	C3,	O3,	62.4°	63.2°
O1	C4,	C5,	H15	57.2°	57.5°
O1	C4,	C3,	H20	57.6°	57.0°
C4,	O1	C1	H22	52.6°	51.2°
C4,	C3,	C2,	O3,	126.5°	119.9°
C4,	C3,	C2,	H20	116.7°	119.8°
C4,	C3,	C2,	N2	171.7°	176.9°
C4,	C3,	O3,	H20	119.5°	120.2°
C4,	C3,	C2,	H6	66.9°	63.0°
C3,	C4,	C5,	H15	61.7°	62.4°
C4,	C3,	O3,	H21	180.0°	179.6°
C4	C5	O5	C6	125.8°	119.9°
C4	C5	O5	H29	117.9°	120.0°
C4	C5	C6	H29	120.4°	120.0°
C5	C4	O4	H27	119.8°	120.2°
C4	C5	C6	O6	180.0°	175.0°
C5	C4	C3	H25	61.4°	63.0°
C5	C4	O4	H28	56.9°	179.7°
C4	C5	C6	H30	60.9°	55.0°
C4	C5	C6	H31	60.8°	65.0°
O5	C5	C6	H29	117.0°	120.1°
O5	C5	C4	O4	64.0°	62.3°
O5	C5	C6	O6	57.4°	65.1°
C5	O5	C1	H22	64.4°	58.8°
O5	C5	C4	H27	175.8°	177.5°
O5	C5	C6	H30	176.5°	174.9°
O5	C5	C6	H31	61.7°	54.9°
C6	C5	C4	O4	57.3°	57.7°
C5	C6	O6	H30	119.1°	120.0°
C5	C6	O6	H31	119.1°	120.0°
C6	C5	C4	H27	63.0°	62.5°
C5	C6	H30	H31	122.5°	120.0°
C5	C6	O6	H32	180.0°	180.0°
O4	C4	C3	H25	173.3°	177.2°
O4	C4	C5	H29	177.6°	177.7°
O6	C6	C5	H29	59.6°	55.0°
O6	C6	H30	H31	122.5°	120.0°
C3,	C2,	N2	H6	121.0°	120.2°
C2,	C3,	O3,	H20	116.3°	120.3°
C3,	C2,	N2	C36	142.8°	155.3°
C3,	C2,	C1,	H5	64.2°	62.4°
C3,	C2,	N2	H7	37.2°	24.7°
C2,	C3,	C4,	H19	64.6°	63.0°
C2,	C3,	O3,	H21	55.9°	60.1°
N2	C2,	C3,	O3,	61.8°	63.3°
C2,	N2	C36	O37	0.6°	0.0°
C2,	N2	C36	H7	180.0°	180.0°
C2,	N2	C36	C38	172.1°	180.0°
N2	C2,	C1,	H5	54.4°	57.5°
N2	C2,	C3,	H20	55.0°	57.1°
O3,	C3,	C2,	H6	59.7°	56.9°
O3,	C3,	C4,	H19	58.6°	56.9°
O37	C36	N2	C38	172.7°	179.9°
O37	C36	C38	C39	166.5°	180.0°
O37	C36	C38	C43	17.2°	0.3°
O37	C36	N2	H7	179.4°	179.9°
N2	C36	C38	C39	20.6°	0.0°
N2	C36	C38	C43	155.6°	179.7°
C36	N2	C2,	H6	21.8°	35.1°
C36	C38	C39	C43	176.0°	179.7°
C36	C38	C39	C40	175.8°	180.0°
C36	C38	C43	C42	176.6°	179.7°
C38	C36	N2	H7	7.9°	0.0°
C36	C38	C39	H8	4.3°	0.1°
C36	C38	C43	H14	3.4°	0.1°
C38	C39	C40	H8	180.0°	179.9°
C39	C38	C43	C42	0.2°	0.6°
C38	C39	C40	C41	0.1°	0.0°
C38	C39	C40	H9	180.0°	180.0°
C39	C38	C43	H14	179.8°	179.7°
C43	C38	C39	C40	0.2°	0.3°
C38	C43	C42	H14	180.0°	179.8°
C38	C43	C42	C41	0.9°	0.6°
C38	C43	C42	O44	179.1°	179.7°
C43	C38	C39	H8	179.7°	179.8°
C39	C40	C41	H9	180.0°	179.9°
C39	C40	C41	C42	0.6°	0.0°
C39	C40	C41	H10	179.4°	180.0°
C43	C42	C41	C40	1.0°	0.3°
C43	C42	C41	O44	179.9°	179.7°
C43	C42	O44	C45	20.5°	179.7°
C43	C42	C41	H10	179.0°	179.7°
C40	C41	C42	H10	180.0°	180.0°
C40	C41	C42	O44	178.9°	180.0°
C41	C40	C39	H8	179.9°	180.0°
C41	C42	O44	C45	159.6°	0.1°
C42	C41	C40	H9	179.4°	180.0°
C41	C42	C43	H14	179.2°	179.7°
O44	C42	C41	H10	1.1°	0.0°
C42	O44	C45	H11	180.0°	180.0°
C42	O44	C45	H12	60.0°	60.0°
C42	O44	C45	H13	60.0°	60.0°
O44	C42	C43	H14	0.9°	0.1°
O44	C45	H11	H12	120.0°	119.9°
O44	C45	H11	H13	120.0°	120.0°
O44	C45	H12	H13	120.0°	120.0°
H1	C34	H2	H3	120.0°	120.0°
H4	N1	C1,	H5	148.5°	155.0°
H5	C1,	C2,	H6	175.3°	177.7°
H6	C2,	N2	H7	158.2°	144.8°
H6	C2,	C3,	H20	176.5°	177.2°
H8	C39	C40	H9	0.1°	0.1°
H9	C40	C41	H10	0.6°	0.0°
H11	C45	H12	H13	120.0°	120.1°
H15	C5,	C6,	H16	54.7°	64.4°
H15	C5,	C6,	H17	64.2°	175.5°
H15	C5,	C4,	H19	178.4°	177.7°
H16	C6,	O6,	H18	59.4°	60.0°
H17	C6,	O6,	H18	59.4°	60.0°
H19	C4,	C3,	H20	178.6°	177.2°
H20	C3,	O3,	H21	60.5°	60.2°
H22	C1	C2	H23	172.3°	177.7°
H23	C2	O2	H24	60.9°	60.2°
H23	C2	C3	H25	175.2°	177.1°
H25	C3	O3	H26	61.8°	60.2°
H25	C3	C4	H27	55.7°	57.0°
H27	C4	O4	H28	62.9°	60.1°
H27	C4	C5	H29	57.3°	57.5°
H29	C5	C6	H30	59.5°	65.0°
H29	C5	C6	H31	178.8°	175.0°
H30	C6	O6	H32	60.9°	59.9°
H31	C6	O6	H32	60.8°	60.1°

Release date:	2017-06-21
Definition date:	2017-03-14
Last modified:	2017-06-16
Release status:	REL
Processing site:	EBI
Derived from:	5NF9