T0D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C31	C32	doub	0.00Å	1.41Å	Aromatic
C31	C29	sing	0.00Å	1.40Å	Aromatic
C32	C33	sing	0.00Å	1.42Å	Aromatic
CL30	C29	sing	0.00Å	1.80Å
C29	C28	doub	0.00Å	1.40Å	Aromatic
C33	C27	doub	0.00Å	1.42Å	Aromatic
C28	C27	sing	0.00Å	1.40Å	Aromatic
C27	C02	sing	0.00Å	1.58Å
C01	C02	sing	0.00Å	1.55Å
C26	C02	sing	0.00Å	1.55Å
C02	C03	sing	0.00Å	1.62Å
C03	O04	sing	0.00Å	1.44Å
O04	C05	sing	0.00Å	1.39Å
C05	O25	doub	0.00Å	1.24Å
C05	N06	sing	0.00Å	1.42Å
C11	C09	sing	0.00Å	1.53Å
C09	C10	sing	0.00Å	1.53Å
C09	C08	sing	0.00Å	1.54Å
N06	C07	sing	0.00Å	1.48Å
C07	C08	sing	0.00Å	1.61Å
C07	C12	sing	0.00Å	1.59Å
C12	N13	sing	0.00Å	1.43Å
C12	O24	doub	0.00Å	1.26Å
O21	C17	doub	0.00Å	1.25Å
C17	C16	sing	0.00Å	1.53Å
C17	N18	sing	0.00Å	1.44Å
N13	C14	sing	0.00Å	1.48Å
C16	C15	sing	0.00Å	1.57Å
C16	C20	sing	0.00Å	1.53Å
N18	C19	sing	0.00Å	1.50Å
C19	C20	sing	0.00Å	1.59Å
C15	C14	sing	0.00Å	1.55Å
C14	C22	sing	0.00Å	1.54Å
C22	O23	sing	0.00Å	1.41Å
C22	S1	sing	0.00Å	1.79Å
C01	H1	sing	0.00Å	1.10Å
C03	H4	sing	0.00Å	1.10Å
C07	H6	sing	0.00Å	1.10Å
C08	H7	sing	0.00Å	1.10Å
C16	H19	sing	0.00Å	1.10Å
C19	H20	sing	0.00Å	1.10Å
C19	H21	sing	0.00Å	1.10Å
C20	H22	sing	0.00Å	1.10Å
C20	H23	sing	0.00Å	1.10Å
C22	H24	sing	0.00Å	1.10Å
C26	H25	sing	0.00Å	1.10Å
C26	H26	sing	0.00Å	1.10Å
C26	H27	sing	0.00Å	1.10Å
C28	H28	sing	0.00Å	1.08Å
C31	H29	sing	0.00Å	1.08Å
C32	H30	sing	0.00Å	1.08Å
C33	H31	sing	0.00Å	1.08Å
N06	H32	sing	0.00Å	1.00Å
N13	H33	sing	0.00Å	1.00Å
N18	H34	sing	0.00Å	1.00Å
S1	O1	doub	0.00Å	9.87Å
S1	O2	doub	0.00Å	9.87Å
S1	O3	sing	0.00Å	9.87Å
O3	H38	sing	0.00Å	0.00Å
O23	C24	sing	0.00Å	10.97Å
C24	C25	sing	0.00Å	0.00Å
C24	O26	doub	0.00Å	0.00Å
C01	H3	sing	0.00Å	1.10Å
C01	H8	sing	0.00Å	1.10Å
C03	H5	sing	0.00Å	1.10Å
C08	H2	sing	0.00Å	1.10Å
C09	H9	sing	0.00Å	1.10Å
C10	H10	sing	0.00Å	1.10Å
C10	H11	sing	0.00Å	1.10Å
C10	H12	sing	0.00Å	1.10Å
C11	H13	sing	0.00Å	1.10Å
C11	H14	sing	0.00Å	1.10Å
C11	H15	sing	0.00Å	1.10Å
C14	H16	sing	0.00Å	1.10Å
C15	H17	sing	0.00Å	1.10Å
C15	H18	sing	0.00Å	1.10Å
C25	H35	sing	0.00Å	0.00Å
C25	H36	sing	0.00Å	0.00Å
C25	H37	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C32	C31	C29	117.5°	90.0°
C31	C32	C33	120.5°	90.0°
C32	C31	H29	121.2°	90.0°
C31	C32	H30	119.7°	90.0°
C31	C29	CL30	119.5°	90.0°
C31	C29	C28	122.5°	90.0°
C29	C31	H29	121.3°	90.0°
C32	C33	C27	120.8°	90.0°
C33	C32	H30	119.7°	90.0°
C32	C33	H31	119.6°	90.0°
CL30	C29	C28	117.9°	90.0°
C29	C28	C27	120.8°	90.0°
C29	C28	H28	119.6°	90.0°
C33	C27	C28	117.9°	90.0°
C33	C27	C02	122.6°	90.0°
C27	C33	H31	119.6°	90.0°
C28	C27	C02	119.6°	90.0°
C27	C28	H28	119.6°	90.0°
C27	C02	C01	111.1°	90.0°
C27	C02	C26	109.0°	90.0°
C27	C02	C03	110.3°	90.0°
C01	C02	C26	108.6°	90.0°
C01	C02	C03	109.7°	90.0°
C02	C01	H1	109.5°	90.0°
C02	C01	H3	109.5°	90.0°
C02	C01	H8	109.5°	90.0°
C26	C02	C03	108.0°	90.0°
C02	C26	H25	109.5°	90.0°
C02	C26	H26	109.4°	90.0°
C02	C26	H27	109.5°	90.0°
C02	C03	O04	107.8°	90.0°
C02	C03	H4	109.9°	90.0°
C02	C03	H5	109.9°	90.0°
C03	O04	C05	118.3°	90.0°
O04	C03	H4	109.9°	90.0°
O04	C03	H5	109.9°	90.0°
O04	C05	O25	118.3°	90.0°
O04	C05	N06	121.2°	90.0°
O25	C05	N06	120.5°	90.0°
C05	N06	C07	120.2°	90.0°
C05	N06	H32	119.9°	90.0°
C11	C09	C10	110.5°	90.0°
C11	C09	C08	109.1°	90.0°
C11	C09	H9	109.0°	90.0°
C09	C11	H13	109.5°	90.0°
C09	C11	H14	109.5°	90.0°
C09	C11	H15	109.5°	90.0°
C10	C09	C08	110.2°	90.0°
C10	C09	H9	109.0°	90.0°
C09	C10	H10	109.5°	90.0°
C09	C10	H11	109.5°	90.0°
C09	C10	H12	109.5°	90.0°
C09	C08	C07	110.8°	90.0°
C09	C08	H7	109.1°	90.0°
C09	C08	H2	109.1°	90.0°
C08	C09	H9	108.9°	90.0°
N06	C07	C08	112.4°	90.0°
N06	C07	C12	110.2°	90.0°
N06	C07	H6	109.0°	90.0°
C07	N06	H32	119.9°	90.0°
C08	C07	C12	110.1°	90.0°
C08	C07	H6	107.5°	90.0°
C07	C08	H7	109.1°	90.0°
C07	C08	H2	109.1°	90.0°
C07	C12	N13	124.3°	90.0°
C07	C12	O24	116.8°	90.0°
C12	C07	H6	107.6°	90.0°
N13	C12	O24	119.0°	90.0°
C12	N13	C14	124.9°	90.0°
C12	N13	H33	117.5°	90.0°
O21	C17	C16	124.5°	90.0°
O21	C17	N18	122.6°	90.0°
C16	C17	N18	112.9°	90.0°
C17	C16	C15	111.2°	90.0°
C17	C16	C20	102.3°	90.0°
C17	C16	H19	109.9°	90.0°
C17	N18	C19	107.3°	90.0°
C17	N18	H34	126.3°	90.0°
N13	C14	C15	113.5°	90.0°
N13	C14	C22	111.9°	90.0°
C14	N13	H33	117.5°	90.0°
N13	C14	H16	108.8°	90.0°
C15	C16	C20	113.8°	90.0°
C16	C15	C14	112.7°	90.0°
C15	C16	H19	109.5°	90.0°
C16	C15	H17	108.7°	90.0°
C16	C15	H18	108.6°	90.0°
C16	C20	C19	105.7°	90.0°
C20	C16	H19	109.9°	90.0°
C16	C20	H22	110.4°	90.0°
C16	C20	H23	110.4°	90.0°
N18	C19	C20	105.6°	90.0°
N18	C19	H20	110.4°	90.0°
N18	C19	H21	110.4°	90.0°
C19	N18	H34	126.3°	90.0°
C20	C19	H20	110.4°	90.0°
C20	C19	H21	110.4°	90.0°
C19	C20	H22	110.4°	90.0°
C19	C20	H23	110.4°	90.0°
C15	C14	C22	106.3°	90.0°
C15	C14	H16	108.0°	90.0°
C14	C15	H17	108.7°	90.0°
C14	C15	H18	108.7°	90.0°
C14	C22	O23	110.1°	90.0°
C14	C22	S1	112.5°	90.0°
C14	C22	H24	112.5°	90.0°
C22	C14	H16	108.1°	90.0°
O23	C22	S1	96.8°	90.0°
O23	C22	H24	114.7°	90.0°
C22	O23	C24	14.3°	90.0°
S1	C22	H24	109.2°	90.0°
C22	S1	O1	76.4°	90.0°
C22	S1	O2	76.4°	90.0°
C22	S1	O3	76.4°	90.0°
H1	C01	H3	109.4°	90.0°
H1	C01	H8	109.4°	90.0°
H4	C03	H5	109.5°	90.0°
H7	C08	H2	109.5°	90.0°
H20	C19	H21	109.5°	90.0°
H22	C20	H23	109.5°	90.0°
H25	C26	H26	109.5°	90.0°
H25	C26	H27	109.5°	90.0°
H26	C26	H27	109.5°	90.0°
O1	S1	O2	0.0°	90.0°
O1	S1	O3	0.0°	90.0°
O2	S1	O3	0.0°	90.0°
S1	O3	H38	90.0°	90.0°
O23	C24	C25	90.0°	90.0°
O23	C24	O26	90.0°	90.0°
C25	C24	O26	90.0°	90.0°
C24	C25	H35	90.0°	90.0°
C24	C25	H36	90.0°	90.0°
C24	C25	H37	90.0°	90.0°
H3	C01	H8	109.5°	90.0°
H10	C10	H11	109.4°	90.0°
H10	C10	H12	109.5°	90.0°
H11	C10	H12	109.5°	90.0°
H13	C11	H14	109.5°	90.0°
H13	C11	H15	109.5°	90.0°
H14	C11	H15	109.5°	90.0°
H17	C15	H18	109.5°	90.0°
H35	C25	H36	90.0°	90.0°
H35	C25	H37	90.0°	90.0°
H36	C25	H37	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C32	C31	C29	H29	180.0°	90.0°
C31	C32	C33	H30	180.0°	90.0°
C32	C31	C29	CL30	179.7°	90.0°
C32	C31	C29	C28	0.1°	90.0°
C31	C32	C33	C27	0.3°	90.0°
C31	C32	C33	H31	179.7°	90.0°
C29	C31	C32	C33	0.2°	90.0°
C31	C29	CL30	C28	179.7°	90.0°
C31	C29	C28	C27	0.2°	90.0°
C31	C29	C28	H28	179.8°	90.0°
C29	C31	C32	H30	179.8°	90.0°
C32	C33	C27	H31	180.0°	90.0°
C32	C33	C27	C28	0.1°	90.0°
C32	C33	C27	C02	179.4°	90.0°
C33	C32	C31	H29	179.8°	90.0°
CL30	C29	C28	C27	179.9°	90.0°
CL30	C29	C28	H28	0.1°	90.0°
CL30	C29	C31	H29	0.3°	90.0°
C29	C28	C27	C33	0.1°	90.0°
C29	C28	C27	H28	180.0°	90.0°
C29	C28	C27	C02	179.2°	90.0°
C28	C29	C31	H29	180.0°	90.0°
C33	C27	C28	C02	179.3°	90.0°
C33	C27	C02	C01	127.5°	90.0°
C33	C27	C02	C26	7.8°	90.0°
C33	C27	C02	C03	110.6°	90.0°
C33	C27	C28	H28	179.9°	90.0°
C27	C33	C32	H30	179.7°	90.0°
C28	C27	C02	C01	51.7°	90.0°
C28	C27	C02	C26	171.4°	90.0°
C28	C27	C02	C03	70.1°	90.0°
C28	C27	C33	H31	179.8°	90.0°
C27	C02	C01	C26	119.9°	90.0°
C27	C02	C01	C03	122.3°	90.0°
C27	C02	C26	C03	119.9°	90.0°
C27	C02	C03	O04	43.1°	90.0°
C27	C02	C01	H1	180.0°	90.0°
C27	C02	C03	H4	162.9°	90.0°
C27	C02	C26	H25	180.0°	90.0°
C27	C02	C26	H26	60.0°	90.0°
C27	C02	C26	H27	60.0°	90.0°
C02	C27	C28	H28	0.8°	90.0°
C02	C27	C33	H31	0.6°	90.0°
C27	C02	C01	H3	60.0°	90.0°
C27	C02	C01	H8	60.0°	90.0°
C27	C02	C03	H5	76.6°	90.0°
C01	C02	C26	C03	118.9°	90.0°
C01	C02	C03	O04	165.8°	90.0°
C02	C01	H1	H3	120.0°	90.0°
C02	C01	H1	H8	120.0°	90.0°
C01	C02	C03	H4	74.4°	90.0°
C01	C02	C26	H25	58.8°	90.0°
C01	C02	C26	H26	178.8°	90.0°
C01	C02	C26	H27	61.2°	90.0°
C02	C01	H3	H8	120.0°	90.0°
C01	C02	C03	H5	46.1°	90.0°
C26	C02	C03	O04	75.9°	90.0°
C26	C02	C01	H1	60.1°	90.0°
C26	C02	C03	H4	43.8°	90.0°
C02	C26	H25	H26	120.0°	90.0°
C02	C26	H25	H27	120.0°	90.0°
C02	C26	H26	H27	120.0°	90.0°
C26	C02	C01	H3	59.9°	90.0°
C26	C02	C01	H8	179.9°	90.0°
C26	C02	C03	H5	164.3°	90.0°
C02	C03	O04	H4	119.7°	90.0°
C02	C03	O04	H5	119.8°	90.0°
C02	C03	O04	C05	155.8°	90.0°
C03	C02	C01	H1	57.8°	90.0°
C02	C03	H4	H5	120.8°	90.0°
C03	C02	C26	H25	60.1°	90.0°
C03	C02	C26	H26	59.9°	90.0°
C03	C02	C26	H27	179.9°	90.0°
C03	C02	C01	H3	177.7°	90.0°
C03	C02	C01	H8	62.2°	90.0°
C03	O04	C05	O25	40.8°	90.0°
C03	O04	C05	N06	141.5°	90.0°
O04	C03	H4	H5	120.8°	90.0°
O04	C05	O25	N06	177.7°	90.0°
O04	C05	N06	C07	163.2°	90.0°
C05	O04	C03	H4	84.5°	90.0°
O04	C05	N06	H32	16.9°	90.0°
C05	O04	C03	H5	36.0°	90.0°
O25	C05	N06	C07	14.5°	90.0°
O25	C05	N06	H32	165.5°	90.0°
C05	N06	C07	H32	180.0°	90.0°
C05	N06	C07	C08	162.0°	90.0°
C05	N06	C07	C12	74.8°	90.0°
C05	N06	C07	H6	43.0°	90.0°
C11	C09	C10	C08	120.7°	90.0°
C11	C09	C10	H9	119.9°	90.0°
C11	C09	C08	H9	118.9°	90.0°
C11	C09	C08	C07	85.2°	90.0°
C11	C09	C08	H7	35.0°	90.0°
C11	C09	C08	H2	154.6°	90.0°
C11	C09	C10	H10	180.0°	90.0°
C11	C09	C10	H11	60.0°	90.0°
C11	C09	C10	H12	60.0°	90.0°
C09	C11	H13	H14	120.0°	90.0°
C09	C11	H13	H15	120.0°	90.0°
C09	C11	H14	H15	120.0°	90.0°
C10	C09	C08	H9	119.6°	90.0°
C10	C09	C08	C07	153.3°	90.0°
C10	C09	C08	H7	86.5°	90.0°
C10	C09	C08	H2	33.1°	90.0°
C09	C10	H10	H11	120.0°	90.0°
C09	C10	H10	H12	120.0°	90.0°
C09	C10	H11	H12	120.0°	90.0°
C10	C09	C11	H13	180.0°	90.0°
C10	C09	C11	H14	60.0°	90.0°
C10	C09	C11	H15	60.0°	90.0°
C09	C08	C07	N06	76.0°	90.0°
C09	C08	C07	H7	120.2°	90.0°
C09	C08	C07	H2	120.2°	90.0°
C09	C08	C07	C12	160.7°	90.0°
C09	C08	C07	H6	43.8°	90.0°
C09	C08	H7	H2	119.3°	90.0°
C08	C09	C10	H10	59.4°	90.0°
C08	C09	C10	H11	60.6°	90.0°
C08	C09	C10	H12	179.4°	90.0°
C08	C09	C11	H13	58.7°	90.0°
C08	C09	C11	H14	178.7°	90.0°
C08	C09	C11	H15	61.3°	90.0°
N06	C07	C08	C12	123.2°	90.0°
N06	C07	C08	H6	119.9°	90.0°
N06	C07	C12	H6	118.7°	90.0°
N06	C07	C12	N13	142.0°	90.0°
N06	C07	C12	O24	38.7°	90.0°
N06	C07	C08	H7	163.8°	90.0°
N06	C07	C08	H2	44.1°	90.0°
C08	C07	C12	H6	116.8°	90.0°
C08	C07	C12	N13	93.5°	90.0°
C08	C07	C12	O24	85.8°	90.0°
C07	C08	H7	H2	119.4°	90.0°
C08	C07	N06	H32	18.0°	90.0°
C07	C08	C09	H9	33.7°	90.0°
C07	C12	N13	O24	179.3°	90.0°
C07	C12	N13	C14	178.9°	90.0°
C12	C07	C08	H7	40.5°	90.0°
C12	C07	N06	H32	105.1°	90.0°
C07	C12	N13	H33	1.1°	90.0°
C12	C07	C08	H2	79.1°	90.0°
C12	N13	C14	H33	180.0°	90.0°
C12	N13	C14	C15	103.7°	90.0°
C12	N13	C14	C22	135.9°	90.0°
N13	C12	C07	H6	23.3°	90.0°
C12	N13	C14	H16	16.6°	90.0°
O24	C12	N13	C14	0.5°	90.0°
O24	C12	C07	H6	157.4°	90.0°
O24	C12	N13	H33	179.5°	90.0°
O21	C17	C16	N18	179.0°	90.0°
O21	C17	C16	C15	43.0°	90.0°
O21	C17	C16	C20	164.9°	90.0°
O21	C17	N18	C19	179.8°	90.0°
O21	C17	C16	H19	78.4°	90.0°
O21	C17	N18	H34	0.2°	90.0°
C17	C16	C15	C20	114.9°	90.0°
C17	C16	C15	H19	121.7°	90.0°
C17	C16	C20	H19	116.8°	90.0°
C16	C17	N18	C19	1.2°	90.0°
C17	C16	C20	C19	23.6°	90.0°
C17	C16	C15	C14	179.4°	90.0°
C17	C16	C20	H22	95.8°	90.0°
C17	C16	C20	H23	143.0°	90.0°
C16	C17	N18	H34	178.8°	90.0°
C17	C16	C15	H17	60.1°	90.0°
C17	C16	C15	H18	58.9°	90.0°
N18	C17	C16	C15	138.0°	90.0°
N18	C17	C16	C20	16.2°	90.0°
C17	N18	C19	H34	180.0°	90.0°
C17	N18	C19	C20	14.0°	90.0°
N18	C17	C16	H19	100.6°	90.0°
C17	N18	C19	H20	105.4°	90.0°
C17	N18	C19	H21	133.4°	90.0°
N13	C14	C15	C16	58.0°	90.0°
N13	C14	C15	C22	123.5°	90.0°
N13	C14	C15	H16	120.8°	90.0°
N13	C14	C22	H16	119.8°	90.0°
N13	C14	C22	O23	56.9°	90.0°
N13	C14	C22	S1	49.9°	90.0°
N13	C14	C22	H24	173.9°	90.0°
N13	C14	C15	H17	178.5°	90.0°
N13	C14	C15	H18	62.5°	90.0°
C15	C16	C20	H19	123.2°	90.0°
C15	C16	C20	C19	143.6°	90.0°
C16	C15	C14	H17	120.5°	90.0°
C16	C15	C14	H18	120.5°	90.0°
C16	C15	C14	C22	178.6°	90.0°
C15	C16	C20	H22	24.2°	90.0°
C15	C16	C20	H23	97.0°	90.0°
C16	C15	C14	H16	62.8°	90.0°
C16	C15	H17	H18	118.5°	90.0°
C16	C20	C19	N18	24.0°	90.0°
C16	C20	C19	H22	119.4°	90.0°
C16	C20	C19	H23	119.4°	90.0°
C20	C16	C15	C14	65.7°	90.0°
C16	C20	C19	H20	95.4°	90.0°
C16	C20	C19	H21	143.4°	90.0°
C16	C20	H22	H23	121.7°	90.0°
C20	C16	C15	H17	54.8°	90.0°
C20	C16	C15	H18	173.9°	90.0°
N18	C19	C20	H20	119.4°	90.0°
N18	C19	C20	H21	119.4°	90.0°
N18	C19	H20	H21	121.8°	90.0°
N18	C19	C20	H22	95.4°	90.0°
N18	C19	C20	H23	143.4°	90.0°
C19	C20	C16	H19	93.2°	90.0°
C20	C19	H20	H21	121.8°	90.0°
C19	C20	H22	H23	121.8°	90.0°
C20	C19	N18	H34	166.0°	90.0°
C15	C14	C22	H16	115.7°	90.0°
C15	C14	C22	O23	178.7°	90.0°
C15	C14	C22	S1	74.5°	90.0°
C14	C15	C16	H19	57.8°	90.0°
C15	C14	C22	H24	49.4°	90.0°
C15	C14	N13	H33	76.3°	90.0°
C14	C15	H17	H18	118.5°	90.0°
C14	C22	O23	S1	117.0°	90.0°
C14	C22	O23	H24	128.1°	90.0°
C14	C22	S1	H24	125.7°	90.0°
C22	C14	N13	H33	44.0°	90.0°
C14	C22	S1	O1	52.0°	90.0°
C14	C22	S1	O2	52.0°	90.0°
C14	C22	S1	O3	52.0°	90.0°
C14	C22	O23	C24	10.4°	90.0°
C22	C14	C15	H17	58.1°	90.0°
C22	C14	C15	H18	61.0°	90.0°
O23	C22	S1	H24	119.2°	90.0°
O23	C22	S1	O1	167.1°	90.0°
O23	C22	S1	O2	167.1°	90.0°
O23	C22	S1	O3	167.1°	90.0°
C22	O23	C24	C25	90.0°	90.0°
C22	O23	C24	O26	90.0°	90.0°
O23	C22	C14	H16	63.0°	90.0°
C22	S1	O1	O2	90.0°	90.0°
C22	S1	O1	O3	90.0°	90.0°
C22	S1	O2	O3	90.0°	90.0°
C22	S1	O3	H38	90.0°	90.0°
S1	C22	O23	C24	127.4°	90.0°
S1	C22	C14	H16	169.8°	90.0°
H1	C01	H3	H8	120.0°	90.0°
H6	C07	C08	H7	76.4°	90.0°
H6	C07	N06	H32	137.0°	90.0°
H6	C07	C08	H2	164.0°	90.0°
H7	C08	C09	H9	153.9°	90.0°
H19	C16	C20	H22	147.4°	90.0°
H19	C16	C20	H23	26.2°	90.0°
H19	C16	C15	H17	178.2°	90.0°
H19	C16	C15	H18	62.7°	90.0°
H20	C19	C20	H22	145.2°	90.0°
H20	C19	C20	H23	24.0°	90.0°
H20	C19	N18	H34	74.5°	90.0°
H21	C19	C20	H22	24.0°	90.0°
H21	C19	C20	H23	97.2°	90.0°
H21	C19	N18	H34	46.7°	90.0°
H24	C22	S1	O1	73.7°	90.0°
H24	C22	S1	O2	73.7°	90.0°
H24	C22	S1	O3	73.7°	90.0°
H24	C22	O23	C24	117.7°	90.0°
H24	C22	C14	H16	66.3°	90.0°
H25	C26	H26	H27	120.0°	90.0°
H29	C31	C32	H30	0.2°	90.0°
H30	C32	C33	H31	0.3°	90.0°
H33	N13	C14	H16	163.4°	90.0°
O1	S1	O2	O3	90.0°	90.0°
O1	S1	O3	H38	90.0°	90.0°
O2	S1	O3	H38	90.0°	90.0°
O23	C24	C25	O26	90.0°	90.0°
O23	C24	C25	H35	90.0°	90.0°
O23	C24	C25	H36	90.0°	90.0°
O23	C24	C25	H37	90.0°	90.0°
C24	C25	H35	H36	90.0°	90.0°
C24	C25	H35	H37	90.0°	90.0°
C24	C25	H36	H37	90.0°	90.0°
O26	C24	C25	H35	90.0°	90.0°
O26	C24	C25	H36	90.0°	90.0°
O26	C24	C25	H37	90.0°	90.0°
H2	C08	C09	H9	86.5°	90.0°
H9	C09	C10	H10	60.1°	90.0°
H9	C09	C10	H11	179.9°	90.0°
H9	C09	C10	H12	59.9°	90.0°
H9	C09	C11	H13	60.1°	90.0°
H9	C09	C11	H14	59.8°	90.0°
H9	C09	C11	H15	179.8°	90.0°
H10	C10	H11	H12	120.0°	90.0°
H13	C11	H14	H15	120.0°	90.0°
H16	C14	C15	H17	57.7°	90.0°
H16	C14	C15	H18	176.7°	90.0°
H35	C25	H36	H37	90.0°	90.0°

Release date:	2020-09-30
Definition date:	2020-03-16
Last modified:	2020-09-25
Release status:	REL
Processing site:	RCSB
Derived from:	6W5L