OWV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	O22	sing	0.00Å	1.43Å
C26	O25	sing	0.00Å	1.42Å
O25	C24	sing	0.00Å	1.41Å
O22	C21	sing	0.00Å	1.43Å
C24	C21	doub	0.00Å	1.42Å	Aromatic
C24	C27	sing	0.00Å	1.41Å	Aromatic
C21	C20	sing	0.00Å	1.45Å	Aromatic
C27	C28	doub	0.00Å	1.45Å	Aromatic
C15	C14	sing	0.00Å	1.52Å
C20	C19	sing	0.00Å	1.50Å
C20	C38	doub	0.00Å	1.39Å	Aromatic
C19	C18	doub	0.00Å	1.38Å
C28	C38	sing	0.00Å	1.43Å	Aromatic
C28	C29	sing	0.00Å	1.56Å
O01	C02	doub	0.00Å	1.24Å
C14	C13	sing	0.00Å	1.54Å
C31	N32	doub	0.00Å	1.34Å	Aromatic
C31	C30	sing	0.00Å	1.40Å	Aromatic
N32	C33	sing	0.00Å	1.32Å	Aromatic
C18	C02	sing	0.00Å	1.55Å
C02	N03	sing	0.00Å	1.50Å
C29	C30	sing	0.00Å	1.53Å
C30	C36	doub	0.00Å	1.41Å	Aromatic
C33	N34	sing	0.00Å	1.44Å
C33	N35	doub	0.00Å	1.31Å	Aromatic
C13	C12	sing	0.00Å	1.57Å
C13	C16	sing	0.00Å	1.60Å
N03	C12	sing	0.00Å	1.42Å
N03	N04	sing	0.00Å	1.41Å
C36	N35	sing	0.00Å	1.34Å	Aromatic
C36	N37	sing	0.00Å	1.39Å
C12	C11	sing	0.00Å	1.53Å
C17	C16	sing	0.00Å	1.52Å
N04	C05	sing	0.00Å	1.45Å
C11	C10	doub	0.00Å	1.47Å	Aromatic
C11	C06	sing	0.00Å	1.39Å	Aromatic
C10	C09	sing	0.00Å	1.42Å	Aromatic
C05	C06	sing	0.00Å	1.53Å
C06	C07	doub	0.00Å	1.45Å	Aromatic
C09	C08	doub	0.00Å	1.43Å	Aromatic
C07	C08	sing	0.00Å	1.42Å	Aromatic
C10	H1	sing	0.00Å	1.08Å
C15	H2	sing	0.00Å	1.10Å
C15	H3	sing	0.00Å	1.10Å
C15	H4	sing	0.00Å	1.10Å
C16	H5	sing	0.00Å	1.10Å
C16	H6	sing	0.00Å	1.10Å
C17	H7	sing	0.00Å	1.10Å
C17	H8	sing	0.00Å	1.10Å
C17	H9	sing	0.00Å	1.10Å
C19	H10	sing	0.00Å	1.08Å
C23	H11	sing	0.00Å	1.10Å
C23	H12	sing	0.00Å	1.10Å
C23	H13	sing	0.00Å	1.10Å
C18	H14	sing	0.00Å	1.08Å
C26	H15	sing	0.00Å	1.10Å
C26	H16	sing	0.00Å	1.10Å
C26	H17	sing	0.00Å	1.10Å
C05	H18	sing	0.00Å	1.10Å
C05	H19	sing	0.00Å	1.10Å
C07	H20	sing	0.00Å	1.08Å
C08	H21	sing	0.00Å	1.08Å
C09	H22	sing	0.00Å	1.08Å
C12	H23	sing	0.00Å	1.10Å
C13	H24	sing	0.00Å	1.10Å
C14	H25	sing	0.00Å	1.10Å
C14	H26	sing	0.00Å	1.10Å
C27	H27	sing	0.00Å	1.08Å
C29	H28	sing	0.00Å	1.10Å
C29	H29	sing	0.00Å	1.10Å
C31	H30	sing	0.00Å	1.08Å
C38	H31	sing	0.00Å	1.08Å
N04	H32	sing	0.00Å	1.00Å
N34	H33	sing	0.00Å	1.00Å
N34	H34	sing	0.00Å	1.00Å
N37	H35	sing	0.00Å	1.00Å
N37	H36	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C23	O22	C21	113.8°	90.0°
O22	C23	H11	109.5°	90.0°
O22	C23	H12	109.5°	90.0°
O22	C23	H13	109.5°	90.0°
C26	O25	C24	115.0°	90.0°
O25	C26	H15	109.5°	90.0°
O25	C26	H16	109.5°	90.0°
O25	C26	H17	109.5°	90.0°
O25	C24	C21	118.2°	90.0°
O25	C24	C27	122.0°	90.0°
O22	C21	C24	118.2°	90.0°
O22	C21	C20	121.2°	90.0°
C21	C24	C27	119.8°	90.0°
C24	C21	C20	120.6°	90.0°
C24	C27	C28	119.7°	90.0°
C24	C27	H27	120.2°	90.0°
C21	C20	C19	120.7°	90.0°
C21	C20	C38	119.8°	90.0°
C27	C28	C38	120.0°	90.0°
C27	C28	C29	119.5°	90.0°
C28	C27	H27	120.1°	90.0°
C15	C14	C13	115.6°	90.0°
C14	C15	H2	109.5°	90.0°
C14	C15	H3	109.5°	90.0°
C14	C15	H4	109.5°	90.0°
C15	C14	H25	107.9°	90.0°
C15	C14	H26	107.9°	90.0°
C19	C20	C38	119.4°	90.0°
C20	C19	C18	124.0°	90.0°
C20	C19	H10	118.0°	90.0°
C20	C38	C28	120.1°	90.0°
C20	C38	H31	119.9°	90.0°
C19	C18	C02	117.7°	90.0°
C18	C19	H10	118.0°	90.0°
C19	C18	H14	121.1°	90.0°
C38	C28	C29	120.5°	90.0°
C28	C38	H31	120.0°	90.0°
C28	C29	C30	112.6°	90.0°
C28	C29	H28	108.7°	90.0°
C28	C29	H29	108.7°	90.0°
O01	C02	C18	117.7°	90.0°
O01	C02	N03	120.9°	90.0°
C14	C13	C12	112.6°	90.0°
C14	C13	C16	111.9°	90.0°
C14	C13	H24	106.2°	90.0°
C13	C14	H25	107.9°	90.0°
C13	C14	H26	107.9°	90.0°
N32	C31	C30	118.0°	90.0°
C31	N32	C33	122.6°	90.0°
N32	C31	H30	121.0°	90.0°
C31	C30	C29	123.3°	90.0°
C31	C30	C36	117.4°	90.0°
C30	C31	H30	121.0°	90.0°
N32	C33	N34	119.6°	90.0°
N32	C33	N35	121.4°	90.0°
C18	C02	N03	121.4°	90.0°
C02	C18	H14	121.1°	90.0°
C02	N03	C12	119.2°	90.0°
C02	N03	N04	121.6°	90.0°
C29	C30	C36	119.3°	90.0°
C30	C29	H28	108.7°	90.0°
C30	C29	H29	108.7°	90.0°
C30	C36	N35	120.3°	90.0°
C30	C36	N37	119.6°	90.0°
N34	C33	N35	119.0°	90.0°
C33	N34	H33	109.5°	90.0°
C33	N34	H34	109.5°	90.0°
C33	N35	C36	120.3°	90.0°
C12	C13	C16	113.9°	90.0°
C13	C12	N03	111.0°	90.0°
C13	C12	C11	111.9°	90.0°
C13	C12	H23	107.2°	90.0°
C12	C13	H24	105.9°	90.0°
C13	C16	C17	113.5°	90.0°
C13	C16	H5	108.4°	90.0°
C13	C16	H6	108.5°	90.0°
C16	C13	H24	105.6°	90.0°
C12	N03	N04	119.2°	90.0°
N03	C12	C11	109.7°	90.0°
N03	C12	H23	109.2°	90.0°
N03	N04	C05	116.0°	90.0°
N03	N04	H32	107.8°	90.0°
N35	C36	N37	120.2°	90.0°
C36	N37	H35	109.5°	90.0°
C36	N37	H36	109.4°	90.0°
C12	C11	C10	121.0°	90.0°
C12	C11	C06	118.9°	90.0°
C11	C12	H23	107.8°	90.0°
C17	C16	H5	108.5°	90.0°
C17	C16	H6	108.4°	90.0°
C16	C17	H7	109.5°	90.0°
C16	C17	H8	109.5°	90.0°
C16	C17	H9	109.5°	90.0°
N04	C05	C06	114.8°	90.0°
N04	C05	H18	108.1°	90.0°
N04	C05	H19	108.1°	90.0°
C05	N04	H32	107.8°	90.0°
C10	C11	C06	120.1°	90.0°
C11	C10	C09	120.0°	90.0°
C11	C10	H1	120.0°	90.0°
C11	C06	C05	121.5°	90.0°
C11	C06	C07	119.4°	90.0°
C10	C09	C08	119.8°	90.0°
C09	C10	H1	120.0°	90.0°
C10	C09	H22	120.1°	90.0°
C05	C06	C07	119.1°	90.0°
C06	C05	H18	108.1°	90.0°
C06	C05	H19	108.1°	90.0°
C06	C07	C08	120.7°	90.0°
C06	C07	H20	119.7°	90.0°
C09	C08	C07	120.0°	90.0°
C09	C08	H21	120.0°	90.0°
C08	C09	H22	120.1°	90.0°
C08	C07	H20	119.6°	90.0°
C07	C08	H21	120.0°	90.0°
H2	C15	H3	109.4°	90.0°
H2	C15	H4	109.5°	90.0°
H3	C15	H4	109.5°	90.0°
H5	C16	H6	109.5°	90.0°
H7	C17	H8	109.4°	90.0°
H7	C17	H9	109.5°	90.0°
H8	C17	H9	109.5°	90.0°
H11	C23	H12	109.4°	90.0°
H11	C23	H13	109.5°	90.0°
H12	C23	H13	109.4°	90.0°
H15	C26	H16	109.4°	90.0°
H15	C26	H17	109.5°	90.0°
H16	C26	H17	109.5°	90.0°
H18	C05	H19	109.5°	90.0°
H25	C14	H26	109.5°	90.0°
H28	C29	H29	109.5°	90.0°
H33	N34	H34	109.4°	90.0°
H35	N37	H36	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C23	O22	C21	C24	98.3°	90.0°
C23	O22	C21	C20	81.0°	90.0°
O22	C23	H11	H12	120.0°	90.0°
O22	C23	H11	H13	120.0°	90.0°
O22	C23	H12	H13	120.0°	90.0°
C26	O25	C24	C21	172.7°	90.0°
C26	O25	C24	C27	7.2°	90.0°
O25	C26	H15	H16	120.0°	90.0°
O25	C26	H15	H17	120.0°	90.0°
O25	C26	H16	H17	120.0°	90.0°
O25	C24	C21	O22	0.6°	90.0°
O25	C24	C21	C27	179.9°	90.0°
O25	C24	C21	C20	179.9°	90.0°
O25	C24	C27	C28	179.3°	90.0°
C24	O25	C26	H15	180.0°	90.0°
C24	O25	C26	H16	60.0°	90.0°
C24	O25	C26	H17	60.0°	90.0°
O25	C24	C27	H27	0.8°	90.0°
O22	C21	C24	C20	179.3°	90.0°
O22	C21	C24	C27	179.5°	90.0°
O22	C21	C20	C19	0.9°	90.0°
O22	C21	C20	C38	179.2°	90.0°
C21	O22	C23	H11	180.0°	90.0°
C21	O22	C23	H12	60.0°	90.0°
C21	O22	C23	H13	60.0°	90.0°
C21	C24	C27	C28	0.8°	90.0°
C24	C21	C20	C19	178.4°	90.0°
C24	C21	C20	C38	0.1°	90.0°
C21	C24	C27	H27	179.1°	90.0°
C27	C24	C21	C20	0.2°	90.0°
C24	C27	C28	H27	180.0°	90.0°
C24	C27	C28	C38	1.2°	90.0°
C24	C27	C28	C29	179.8°	90.0°
C21	C20	C19	C38	178.3°	90.0°
C21	C20	C19	C18	94.7°	90.0°
C21	C20	C38	C28	0.2°	90.0°
C21	C20	C19	H10	85.3°	90.0°
C21	C20	C38	H31	179.8°	90.0°
C27	C28	C38	C20	0.8°	90.0°
C27	C28	C38	C29	178.6°	90.0°
C27	C28	C29	C30	115.4°	90.0°
C27	C28	C29	H28	5.1°	90.0°
C27	C28	C29	H29	124.1°	90.0°
C27	C28	C38	H31	179.2°	90.0°
C15	C14	C13	H25	120.9°	90.0°
C15	C14	C13	H26	120.9°	90.0°
C15	C14	C13	C12	11.3°	90.0°
C15	C14	C13	C16	141.1°	90.0°
C14	C15	H2	H3	120.0°	90.0°
C14	C15	H2	H4	120.0°	90.0°
C14	C15	H3	H4	120.0°	90.0°
C15	C14	C13	H24	104.2°	90.0°
C15	C14	H25	H26	117.2°	90.0°
C20	C19	C18	H10	180.0°	90.0°
C19	C20	C38	C28	178.1°	90.0°
C20	C19	C18	C02	173.9°	90.0°
C20	C19	C18	H14	6.1°	90.0°
C19	C20	C38	H31	1.9°	90.0°
C38	C20	C19	C18	87.0°	90.0°
C20	C38	C28	H31	180.0°	90.0°
C20	C38	C28	C29	179.4°	90.0°
C38	C20	C19	H10	93.0°	90.0°
C19	C18	C02	O01	91.3°	90.0°
C19	C18	C02	H14	180.0°	90.0°
C19	C18	C02	N03	88.7°	90.0°
C38	C28	C29	C30	66.0°	90.0°
C38	C28	C27	H27	178.8°	90.0°
C38	C28	C29	H28	173.5°	90.0°
C38	C28	C29	H29	54.5°	90.0°
C28	C29	C30	C31	5.7°	90.0°
C28	C29	C30	H28	120.5°	90.0°
C28	C29	C30	H29	120.4°	90.0°
C28	C29	C30	C36	173.7°	90.0°
C29	C28	C27	H27	0.2°	90.0°
C28	C29	H28	H29	118.6°	90.0°
C29	C28	C38	H31	0.6°	90.0°
O01	C02	C18	N03	179.9°	90.0°
O01	C02	N03	C12	0.9°	90.0°
O01	C02	N03	N04	179.6°	90.0°
O01	C02	C18	H14	88.7°	90.0°
C14	C13	C12	C16	128.7°	90.0°
C14	C13	C12	H24	115.7°	90.0°
C14	C13	C16	H24	115.1°	90.0°
C14	C13	C12	N03	114.6°	90.0°
C14	C13	C12	C11	122.6°	90.0°
C14	C13	C16	C17	21.8°	90.0°
C13	C14	C15	H2	180.0°	90.0°
C13	C14	C15	H3	60.0°	90.0°
C13	C14	C15	H4	60.0°	90.0°
C14	C13	C16	H5	98.8°	90.0°
C14	C13	C16	H6	142.4°	90.0°
C14	C13	C12	H23	4.6°	90.0°
C13	C14	H25	H26	117.2°	90.0°
N32	C31	C30	H30	180.0°	90.0°
N32	C31	C30	C29	179.3°	90.0°
N32	C31	C30	C36	0.1°	90.0°
C31	N32	C33	N34	179.4°	90.0°
C31	N32	C33	N35	0.3°	90.0°
C30	C31	N32	C33	0.3°	90.0°
C31	C30	C29	C36	179.3°	90.0°
C31	C30	C36	N35	0.4°	90.0°
C31	C30	C36	N37	179.2°	90.0°
C31	C30	C29	H28	114.8°	90.0°
C31	C30	C29	H29	126.1°	90.0°
N32	C33	N34	N35	179.7°	90.0°
N32	C33	N35	C36	0.1°	90.0°
C33	N32	C31	H30	179.7°	90.0°
N32	C33	N34	H33	0.0°	90.0°
N32	C33	N34	H34	120.0°	90.0°
C18	C02	N03	C12	179.0°	90.0°
C18	C02	N03	N04	0.3°	90.0°
C02	C18	C19	H10	6.1°	90.0°
C02	N03	C12	C13	109.4°	90.0°
C02	N03	C12	N04	178.7°	90.0°
C02	N03	C12	C11	126.4°	90.0°
C02	N03	N04	C05	130.1°	90.0°
N03	C02	C18	H14	91.3°	90.0°
C02	N03	C12	H23	8.6°	90.0°
C02	N03	N04	H32	109.0°	90.0°
C29	C30	C36	N35	178.9°	90.0°
C29	C30	C36	N37	1.5°	90.0°
C30	C29	H28	H29	118.6°	90.0°
C29	C30	C31	H30	0.7°	90.0°
C30	C36	N35	C33	0.4°	90.0°
C30	C36	N35	N37	179.6°	90.0°
C36	C30	C29	H28	65.9°	90.0°
C36	C30	C29	H29	53.2°	90.0°
C36	C30	C31	H30	180.0°	90.0°
C30	C36	N37	H35	179.6°	90.0°
C30	C36	N37	H36	59.6°	90.0°
N34	C33	N35	C36	179.7°	90.0°
C33	N34	H33	H34	120.0°	90.0°
C33	N35	C36	N37	179.1°	90.0°
N35	C33	N34	H33	179.7°	90.0°
N35	C33	N34	H34	60.3°	90.0°
C12	C13	C16	H24	115.7°	90.0°
C13	C12	N03	C11	124.2°	90.0°
C13	C12	N03	H23	118.0°	90.0°
C13	C12	N03	N04	71.9°	90.0°
C13	C12	C11	H23	117.7°	90.0°
C12	C13	C16	C17	107.3°	90.0°
C13	C12	C11	C10	84.2°	90.0°
C13	C12	C11	C06	97.2°	90.0°
C12	C13	C16	H5	132.1°	90.0°
C12	C13	C16	H6	13.3°	90.0°
C12	C13	C14	H25	109.6°	90.0°
C12	C13	C14	H26	132.2°	90.0°
C16	C13	C12	N03	116.7°	90.0°
C16	C13	C12	C11	6.2°	90.0°
C13	C16	C17	H5	120.6°	90.0°
C13	C16	C17	H6	120.6°	90.0°
C13	C16	H5	H6	118.2°	90.0°
C13	C16	C17	H7	180.0°	90.0°
C13	C16	C17	H8	60.0°	90.0°
C13	C16	C17	H9	60.0°	90.0°
C16	C13	C12	H23	124.2°	90.0°
C16	C13	C14	H25	20.2°	90.0°
C16	C13	C14	H26	98.1°	90.0°
N03	C12	C11	H23	118.7°	90.0°
C12	N03	N04	C05	48.6°	90.0°
N03	C12	C11	C10	152.2°	90.0°
N03	C12	C11	C06	26.4°	90.0°
N03	C12	C13	H24	1.1°	90.0°
C12	N03	N04	H32	72.3°	90.0°
N04	N03	C12	C11	52.3°	90.0°
N03	N04	C05	H32	120.9°	90.0°
N03	N04	C05	C06	16.1°	90.0°
N03	N04	C05	H18	136.9°	90.0°
N03	N04	C05	H19	104.7°	90.0°
N04	N03	C12	H23	170.2°	90.0°
N35	C36	N37	H35	0.0°	90.0°
N35	C36	N37	H36	120.0°	90.0°
C36	N37	H35	H36	120.0°	90.0°
C12	C11	C10	C06	178.6°	90.0°
C12	C11	C10	C09	179.7°	90.0°
C12	C11	C06	C05	0.6°	90.0°
C12	C11	C06	C07	179.5°	90.0°
C12	C11	C10	H1	0.3°	90.0°
C11	C12	C13	H24	121.8°	90.0°
C17	C16	H5	H6	118.2°	90.0°
C16	C17	H7	H8	120.0°	90.0°
C16	C17	H7	H9	120.0°	90.0°
C16	C17	H8	H9	120.0°	90.0°
C17	C16	C13	H24	136.9°	90.0°
N04	C05	C06	C11	6.4°	90.0°
N04	C05	C06	H18	120.8°	90.0°
N04	C05	C06	H19	120.8°	90.0°
N04	C05	C06	C07	173.6°	90.0°
N04	C05	H18	H19	117.6°	90.0°
C11	C10	C09	H1	180.0°	90.0°
C10	C11	C06	C05	179.2°	90.0°
C10	C11	C06	C07	0.8°	90.0°
C11	C10	C09	C08	0.9°	90.0°
C11	C10	C09	H22	179.1°	90.0°
C10	C11	C12	H23	33.5°	90.0°
C06	C11	C10	C09	1.0°	90.0°
C11	C06	C05	C07	180.0°	90.0°
C11	C06	C07	C08	0.5°	90.0°
C06	C11	C10	H1	179.0°	90.0°
C11	C06	C05	H18	114.3°	90.0°
C11	C06	C05	H19	127.2°	90.0°
C11	C06	C07	H20	179.5°	90.0°
C06	C11	C12	H23	145.1°	90.0°
C10	C09	C08	H22	180.0°	90.0°
C10	C09	C08	C07	0.5°	90.0°
C10	C09	C08	H21	179.5°	90.0°
C05	C06	C07	C08	179.6°	90.0°
C06	C05	H18	H19	117.6°	90.0°
C05	C06	C07	H20	0.4°	90.0°
C06	C05	N04	H32	104.8°	90.0°
C06	C07	C08	C09	0.3°	90.0°
C06	C07	C08	H20	180.0°	90.0°
C07	C06	C05	H18	65.6°	90.0°
C07	C06	C05	H19	52.8°	90.0°
C06	C07	C08	H21	179.7°	90.0°
C09	C08	C07	H21	180.0°	90.0°
C08	C09	C10	H1	179.1°	90.0°
C09	C08	C07	H20	179.7°	90.0°
C07	C08	C09	H22	179.5°	90.0°
H1	C10	C09	H22	0.9°	90.0°
H2	C15	H3	H4	120.0°	90.0°
H2	C15	C14	H25	59.1°	90.0°
H2	C15	C14	H26	59.1°	90.0°
H3	C15	C14	H25	60.9°	90.0°
H3	C15	C14	H26	179.1°	90.0°
H4	C15	C14	H25	179.1°	90.0°
H4	C15	C14	H26	60.9°	90.0°
H5	C16	C17	H7	59.4°	90.0°
H5	C16	C17	H8	179.4°	90.0°
H5	C16	C17	H9	60.6°	90.0°
H5	C16	C13	H24	16.3°	90.0°
H6	C16	C17	H7	59.4°	90.0°
H6	C16	C17	H8	60.6°	90.0°
H6	C16	C17	H9	179.4°	90.0°
H6	C16	C13	H24	102.5°	90.0°
H7	C17	H8	H9	120.0°	90.0°
H10	C19	C18	H14	173.9°	90.0°
H11	C23	H12	H13	120.0°	90.0°
H15	C26	H16	H17	120.0°	90.0°
H18	C05	N04	H32	15.9°	90.0°
H19	C05	N04	H32	134.4°	90.0°
H20	C07	C08	H21	0.3°	90.0°
H21	C08	C09	H22	0.5°	90.0°
H23	C12	C13	H24	120.2°	90.0°
H24	C13	C14	H25	134.9°	90.0°
H24	C13	C14	H26	16.7°	90.0°

Release date:	2020-06-17
Definition date:	2019-07-12
Last modified:	2020-06-12
Release status:	REL
Processing site:	RCSB
Derived from:	6PR9