O39

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C45	C44	sing	0.00Å	1.38Å	Aromatic
C45	C46	doub	0.00Å	1.38Å	Aromatic
C44	C43	doub	0.00Å	1.40Å	Aromatic
C05	C02	doub	0.00Å	1.41Å	Aromatic
C05	C04	sing	0.00Å	1.40Å	Aromatic
C02	C06	sing	0.00Å	1.40Å	Aromatic
C46	C22	sing	0.00Å	1.41Å	Aromatic
C11	C12	doub	0.00Å	1.38Å	Aromatic
C11	C08	sing	0.00Å	1.40Å	Aromatic
C43	C26	sing	0.00Å	1.40Å	Aromatic
C12	C09	sing	0.00Å	1.39Å	Aromatic
C04	C01	doub	0.00Å	1.38Å	Aromatic
C06	C08	sing	0.00Å	1.37Å
C06	C03	doub	0.00Å	1.37Å	Aromatic
C22	C26	doub	0.00Å	1.43Å	Aromatic
C22	C25	sing	0.00Å	1.38Å	Aromatic
C08	N10	doub	0.00Å	1.38Å	Aromatic
C26	N23	sing	0.00Å	1.43Å	Aromatic
C09	C42	sing	0.00Å	1.40Å	Aromatic
C09	C13	doub	0.00Å	1.42Å	Aromatic
C42	C41	doub	0.00Å	1.39Å	Aromatic
C03	C01	sing	0.00Å	1.38Å	Aromatic
C03	IR07	sing	0.00Å	1.87Å
C59	C58	doub	0.00Å	1.40Å	Aromatic
C59	C55	sing	0.00Å	1.40Å	Aromatic
C38	N47	sing	0.00Å	1.53Å
C38	C33	sing	0.00Å	1.39Å
C25	C24	doub	0.00Å	1.35Å	Aromatic
C58	N57	sing	0.00Å	1.34Å	Aromatic
N10	C13	sing	0.00Å	1.35Å	Aromatic
N10	IR07	sing	0.00Å	1.95Å
C13	C39	sing	0.00Å	1.39Å	Aromatic
N23	C21	doub	0.00Å	1.36Å	Aromatic
N23	IR07	sing	0.00Å	2.05Å
N47	C48	sing	0.00Å	1.48Å
C37	C33	doub	0.00Å	1.39Å	Aromatic
C37	N34	sing	0.00Å	1.36Å	Aromatic
C33	C36	sing	0.00Å	1.38Å	Aromatic
C41	C40	sing	0.00Å	1.39Å	Aromatic
C55	C54	doub	0.00Å	1.40Å	Aromatic
N57	C56	doub	0.00Å	1.34Å	Aromatic
C24	C21	sing	0.00Å	1.38Å	Aromatic
N34	IR07	sing	0.00Å	1.99Å
N34	C32	doub	0.00Å	1.34Å	Aromatic
C21	C18	sing	0.00Å	1.39Å
IR07	C15	sing	0.00Å	1.96Å
IR07	N14	sing	0.00Å	1.95Å
C48	O53	doub	0.00Å	1.20Å
C48	C49	sing	0.00Å	1.55Å
C36	C35	doub	0.00Å	1.38Å	Aromatic
C39	C40	doub	0.00Å	1.40Å	Aromatic
C49	C50	sing	0.00Å	1.55Å
C56	C54	sing	0.00Å	1.40Å	Aromatic
C54	C52	sing	0.00Å	1.55Å
C32	C35	sing	0.00Å	1.39Å	Aromatic
C32	C29	sing	0.00Å	1.44Å
C18	C15	doub	0.00Å	1.33Å	Aromatic
C18	C19	sing	0.00Å	1.41Å	Aromatic
C15	C17	sing	0.00Å	1.41Å	Aromatic
C50	S51	sing	0.00Å	1.72Å
N14	C29	doub	0.00Å	1.31Å	Aromatic
N14	C28	sing	0.00Å	1.35Å	Aromatic
C29	C30	sing	0.00Å	1.40Å	Aromatic
C28	C31	doub	0.00Å	1.40Å	Aromatic
C52	S51	sing	0.00Å	1.72Å
C19	C16	doub	0.00Å	1.39Å	Aromatic
C30	C27	doub	0.00Å	1.40Å	Aromatic
C17	C20	doub	0.00Å	1.40Å	Aromatic
C31	C27	sing	0.00Å	1.40Å	Aromatic
C16	C20	sing	0.00Å	1.38Å	Aromatic
C16	H1	sing	0.00Å	1.08Å
C17	H2	sing	0.00Å	1.08Å
C01	H3	sing	0.00Å	1.08Å
C02	H4	sing	0.00Å	1.08Å
C04	H5	sing	0.00Å	1.08Å
C05	H6	sing	0.00Å	1.08Å
C11	H7	sing	0.00Å	1.08Å
C19	H8	sing	0.00Å	1.08Å
C20	H9	sing	0.00Å	1.08Å
C24	H10	sing	0.00Å	1.08Å
C27	H11	sing	0.00Å	1.08Å
C28	H12	sing	0.00Å	1.08Å
C30	H13	sing	0.00Å	1.08Å
C36	H14	sing	0.00Å	1.08Å
C37	H15	sing	0.00Å	1.08Å
C38	H16	sing	0.00Å	1.10Å
C38	H17	sing	0.00Å	1.10Å
C40	H18	sing	0.00Å	1.08Å
C41	H19	sing	0.00Å	1.08Å
C42	H20	sing	0.00Å	1.08Å
C44	H21	sing	0.00Å	1.08Å
C45	H22	sing	0.00Å	1.08Å
C49	H23	sing	0.00Å	1.10Å
C49	H24	sing	0.00Å	1.10Å
C50	H25	sing	0.00Å	1.10Å
C50	H26	sing	0.00Å	1.10Å
C52	H27	sing	0.00Å	1.10Å
C52	H28	sing	0.00Å	1.10Å
C55	H29	sing	0.00Å	1.08Å
C56	H30	sing	0.00Å	1.08Å
C58	H31	sing	0.00Å	1.08Å
C59	H32	sing	0.00Å	1.08Å
C12	H33	sing	0.00Å	1.08Å
C25	H34	sing	0.00Å	1.08Å
C31	H35	sing	0.00Å	1.08Å
C35	H36	sing	0.00Å	1.08Å
C39	H37	sing	0.00Å	1.08Å
C43	H38	sing	0.00Å	1.08Å
C46	H39	sing	0.00Å	1.08Å
N47	H40	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C44	C45	C46	114.8°	90.0°
C45	C44	C43	118.0°	90.0°
C45	C44	H21	121.0°	90.0°
C44	C45	H22	122.6°	90.0°
C45	C46	C22	122.7°	90.0°
C46	C45	H22	122.6°	90.0°
C45	C46	H39	118.7°	90.0°
C44	C43	C26	133.9°	90.0°
C43	C44	H21	121.0°	90.0°
C44	C43	H38	113.1°	90.0°
C02	C05	C04	121.3°	90.0°
C05	C02	C06	118.3°	90.0°
C05	C02	H4	120.8°	90.0°
C02	C05	H6	119.4°	90.0°
C05	C04	C01	119.6°	90.0°
C05	C04	H5	120.2°	90.0°
C04	C05	H6	119.3°	90.0°
C02	C06	C08	129.2°	90.0°
C02	C06	C03	118.4°	90.0°
C06	C02	H4	120.9°	90.0°
C46	C22	C26	127.3°	90.0°
C46	C22	C25	108.0°	90.0°
C22	C46	H39	118.6°	90.0°
C12	C11	C08	119.0°	90.0°
C11	C12	C09	115.4°	90.0°
C12	C11	H7	120.5°	90.0°
C11	C12	H33	122.3°	90.0°
C11	C08	C06	115.5°	90.0°
C11	C08	N10	125.9°	90.0°
C08	C11	H7	120.5°	90.0°
C43	C26	C22	103.3°	90.0°
C43	C26	N23	131.7°	90.0°
C26	C43	H38	113.0°	90.0°
C12	C09	C42	112.4°	90.0°
C12	C09	C13	123.6°	90.0°
C09	C12	H33	122.3°	90.0°
C04	C01	C03	117.9°	90.0°
C04	C01	H3	121.1°	90.0°
C01	C04	H5	120.2°	90.0°
C08	C06	C03	111.8°	90.0°
C06	C08	N10	117.4°	90.0°
C06	C03	C01	123.7°	90.0°
C06	C03	IR07	116.0°	90.0°
C26	C22	C25	124.7°	90.0°
C22	C26	N23	124.9°	90.0°
C22	C25	C24	111.4°	90.0°
C22	C25	H34	124.3°	90.0°
C08	N10	C13	113.7°	90.0°
C08	N10	IR07	109.8°	90.0°
C26	N23	C21	103.4°	90.0°
C26	N23	IR07	139.4°	90.0°
C42	C09	C13	124.0°	90.0°
C09	C42	C41	119.4°	90.0°
C09	C42	H20	120.3°	90.0°
C09	C13	N10	120.9°	90.0°
C09	C13	C39	115.1°	90.0°
C42	C41	C40	117.7°	90.0°
C42	C41	H19	121.2°	90.0°
C41	C42	H20	120.3°	90.0°
C01	C03	IR07	119.0°	90.0°
C03	C01	H3	121.1°	90.0°
C03	IR07	N10	83.4°	90.0°
C03	IR07	N23	75.2°	90.0°
C03	IR07	N34	82.1°	90.0°
C03	IR07	C15	142.9°	90.0°
C03	IR07	N14	107.0°	90.0°
C58	C59	C55	119.4°	90.0°
C59	C58	N57	120.4°	90.0°
C59	C58	H31	119.8°	90.0°
C58	C59	H32	120.3°	90.0°
C59	C55	C54	119.0°	90.0°
C59	C55	H29	120.5°	90.0°
C55	C59	H32	120.3°	90.0°
N47	C38	C33	116.0°	90.0°
C38	N47	C48	130.0°	90.0°
N47	C38	H16	107.8°	90.0°
N47	C38	H17	107.8°	90.0°
C38	N47	H40	115.0°	90.0°
C38	C33	C37	117.9°	90.0°
C38	C33	C36	122.0°	90.0°
C33	C38	H16	107.8°	90.0°
C33	C38	H17	107.8°	90.0°
C25	C24	C21	120.9°	90.0°
C25	C24	H10	119.6°	90.0°
C24	C25	H34	124.3°	90.0°
C58	N57	C56	121.4°	90.0°
N57	C58	H31	119.8°	90.0°
C13	N10	IR07	134.6°	90.0°
N10	C13	C39	123.6°	90.0°
N10	IR07	N23	94.7°	90.0°
N10	IR07	N34	66.9°	90.0°
N10	IR07	C15	116.4°	90.0°
N10	IR07	N14	145.4°	90.0°
C13	C39	C40	121.2°	90.0°
C13	C39	H37	119.4°	90.0°
C21	N23	IR07	115.9°	90.0°
N23	C21	C24	134.3°	90.0°
N23	C21	C18	117.7°	90.0°
N23	IR07	N34	152.4°	90.0°
N23	IR07	C15	72.3°	90.0°
N23	IR07	N14	119.7°	90.0°
N47	C48	O53	107.3°	90.0°
N47	C48	C49	135.9°	90.0°
C48	N47	H40	115.0°	90.0°
C33	C37	N34	128.2°	90.0°
C37	C33	C36	120.1°	90.0°
C33	C37	H15	115.9°	90.0°
C37	N34	IR07	137.3°	90.0°
C37	N34	C32	109.5°	90.0°
N34	C37	H15	115.9°	90.0°
C33	C36	C35	113.0°	90.0°
C33	C36	H14	123.5°	90.0°
C41	C40	C39	122.6°	90.0°
C41	C40	H18	118.7°	90.0°
C40	C41	H19	121.2°	90.0°
C55	C54	C56	118.7°	90.0°
C55	C54	C52	130.0°	90.0°
C54	C55	H29	120.5°	90.0°
N57	C56	C54	121.0°	90.0°
N57	C56	H30	119.5°	90.0°
C24	C21	C18	107.9°	90.0°
C21	C24	H10	119.5°	90.0°
IR07	N34	C32	112.5°	90.0°
N34	IR07	C15	133.6°	90.0°
N34	IR07	N14	81.7°	90.0°
N34	C32	C35	126.2°	90.0°
N34	C32	C29	115.7°	90.0°
C21	C18	C15	104.9°	90.0°
C21	C18	C19	129.7°	90.0°
C15	IR07	N14	75.2°	90.0°
IR07	C15	C18	128.6°	90.0°
IR07	C15	C17	118.9°	90.0°
IR07	N14	C29	115.1°	90.0°
IR07	N14	C28	127.9°	90.0°
O53	C48	C49	116.7°	90.0°
C48	C49	C50	121.9°	90.0°
C48	C49	H23	106.3°	90.0°
C48	C49	H24	106.3°	90.0°
C36	C35	C32	122.4°	90.0°
C35	C36	H14	123.5°	90.0°
C36	C35	H36	118.8°	90.0°
C39	C40	H18	118.7°	90.0°
C40	C39	H37	119.4°	90.0°
C49	C50	S51	118.1°	90.0°
C50	C49	H23	106.3°	90.0°
C50	C49	H24	106.3°	90.0°
C49	C50	H25	107.3°	90.0°
C49	C50	H26	107.3°	90.0°
C56	C54	C52	111.3°	90.0°
C54	C56	H30	119.5°	90.0°
C54	C52	S51	121.0°	90.0°
C54	C52	H27	106.5°	90.0°
C54	C52	H28	106.6°	90.0°
C35	C32	C29	118.0°	90.0°
C32	C35	H36	118.8°	90.0°
C32	C29	N14	114.8°	90.0°
C32	C29	C30	121.8°	90.0°
C15	C18	C19	125.4°	90.0°
C18	C15	C17	112.4°	90.0°
C18	C19	C16	120.6°	90.0°
C18	C19	H8	119.7°	90.0°
C15	C17	C20	125.6°	90.0°
C15	C17	H2	117.2°	90.0°
C50	S51	C52	117.0°	90.0°
S51	C50	H25	107.3°	90.0°
S51	C50	H26	107.3°	90.0°
C29	N14	C28	116.1°	90.0°
N14	C29	C30	123.3°	90.0°
N14	C28	C31	124.8°	90.0°
N14	C28	H12	117.6°	90.0°
C29	C30	C27	120.1°	90.0°
C29	C30	H13	119.9°	90.0°
C28	C31	C27	117.8°	90.0°
C31	C28	H12	117.6°	90.0°
C28	C31	H35	121.1°	90.0°
S51	C52	H27	106.5°	90.0°
S51	C52	H28	106.5°	90.0°
C19	C16	C20	116.7°	90.0°
C19	C16	H1	121.6°	90.0°
C16	C19	H8	119.7°	90.0°
C30	C27	C31	117.1°	90.0°
C30	C27	H11	121.4°	90.0°
C27	C30	H13	120.0°	90.0°
C17	C20	C16	119.1°	90.0°
C20	C17	H2	117.2°	90.0°
C17	C20	H9	120.4°	90.0°
C31	C27	H11	121.5°	90.0°
C27	C31	H35	121.1°	90.0°
C20	C16	H1	121.6°	90.0°
C16	C20	H9	120.4°	90.0°
H16	C38	H17	109.5°	90.0°
H23	C49	H24	109.4°	90.0°
H25	C50	H26	109.5°	90.0°
H27	C52	H28	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C44	C45	C46	H22	180.0°	90.0°
C45	C44	C43	H21	180.0°	90.0°
C44	C45	C46	C22	0.6°	90.0°
C45	C44	C43	C26	0.7°	90.0°
C45	C44	C43	H38	179.3°	90.0°
C44	C45	C46	H39	179.4°	90.0°
C46	C45	C44	C43	0.8°	90.0°
C45	C46	C22	H39	180.0°	90.0°
C45	C46	C22	C26	0.2°	90.0°
C45	C46	C22	C25	179.7°	90.0°
C46	C45	C44	H21	179.2°	90.0°
C44	C43	C26	H38	180.0°	90.0°
C44	C43	C26	C22	0.2°	90.0°
C44	C43	C26	N23	175.2°	90.0°
C43	C44	C45	H22	179.2°	90.0°
C02	C05	C04	H6	180.0°	90.0°
C05	C02	C06	H4	180.0°	90.0°
C02	C05	C04	C01	0.7°	90.0°
C05	C02	C06	C08	175.1°	90.0°
C05	C02	C06	C03	5.4°	90.0°
C02	C05	C04	H5	179.3°	90.0°
C04	C05	C02	C06	0.1°	90.0°
C05	C04	C01	H5	180.0°	90.0°
C05	C04	C01	C03	4.2°	90.0°
C05	C04	C01	H3	175.8°	90.0°
C04	C05	C02	H4	179.8°	90.0°
C02	C06	C08	C11	6.3°	90.0°
C02	C06	C08	C03	170.3°	90.0°
C02	C06	C08	N10	174.7°	90.0°
C02	C06	C03	C01	10.9°	90.0°
C02	C06	C03	IR07	177.7°	90.0°
C06	C02	C05	H6	179.9°	90.0°
C46	C22	C26	C43	0.0°	90.0°
C46	C22	C26	C25	180.0°	90.0°
C46	C22	C26	N23	175.8°	90.0°
C46	C22	C25	C24	179.2°	90.0°
C22	C46	C45	H22	179.4°	90.0°
C46	C22	C25	H34	0.8°	90.0°
C12	C11	C08	H7	180.0°	90.0°
C11	C12	C09	H33	180.0°	90.0°
C12	C11	C08	C06	176.7°	90.0°
C12	C11	C08	N10	9.5°	90.0°
C11	C12	C09	C42	179.9°	90.0°
C11	C12	C09	C13	0.4°	90.0°
C08	C11	C12	C09	1.7°	90.0°
C11	C08	C06	N10	168.3°	90.0°
C11	C08	C06	C03	176.6°	90.0°
C11	C08	N10	C13	14.5°	90.0°
C11	C08	N10	IR07	179.0°	90.0°
C08	C11	C12	H33	178.3°	90.0°
C43	C26	C22	N23	175.8°	90.0°
C43	C26	C22	C25	180.0°	90.0°
C43	C26	N23	C21	178.4°	90.0°
C43	C26	N23	IR07	13.5°	90.0°
C26	C43	C44	H21	179.3°	90.0°
C12	C09	C42	C13	179.6°	90.0°
C12	C09	C42	C41	180.0°	90.0°
C12	C09	C13	N10	6.2°	90.0°
C12	C09	C13	C39	179.7°	90.0°
C09	C12	C11	H7	178.3°	90.0°
C12	C09	C42	H20	0.0°	90.0°
C04	C01	C03	C06	10.3°	90.0°
C04	C01	C03	H3	180.0°	90.0°
C04	C01	C03	IR07	176.7°	90.0°
C01	C04	C05	H6	179.3°	90.0°
C08	C06	C03	C01	177.6°	90.0°
C08	C06	C03	IR07	10.9°	90.0°
C06	C08	N10	C13	178.5°	90.0°
C06	C08	N10	IR07	12.0°	90.0°
C08	C06	C02	H4	4.9°	90.0°
C06	C08	C11	H7	3.3°	90.0°
C03	C06	C08	N10	15.0°	90.0°
C06	C03	C01	IR07	166.4°	90.0°
C06	C03	IR07	N10	3.6°	90.0°
C06	C03	IR07	N23	100.3°	90.0°
C06	C03	IR07	N34	63.9°	90.0°
C06	C03	IR07	C15	129.6°	90.0°
C06	C03	IR07	N14	142.6°	90.0°
C06	C03	C01	H3	169.6°	90.0°
C03	C06	C02	H4	174.7°	90.0°
C26	C22	C25	C24	0.8°	90.0°
C22	C26	N23	C21	7.0°	90.0°
C22	C26	N23	IR07	172.0°	90.0°
C26	C22	C25	H34	179.2°	90.0°
C22	C26	C43	H38	179.8°	90.0°
C26	C22	C46	H39	179.8°	90.0°
C25	C22	C26	N23	4.2°	90.0°
C22	C25	C24	H34	180.0°	90.0°
C22	C25	C24	C21	1.5°	90.0°
C22	C25	C24	H10	178.5°	90.0°
C25	C22	C46	H39	0.3°	90.0°
C08	N10	C13	C09	12.3°	90.0°
C08	N10	IR07	C03	4.4°	90.0°
C08	N10	C13	IR07	162.1°	90.0°
C08	N10	C13	C39	174.9°	90.0°
C08	N10	IR07	N23	70.1°	90.0°
C08	N10	IR07	N34	88.6°	90.0°
C08	N10	IR07	C15	142.7°	90.0°
C08	N10	IR07	N14	114.9°	90.0°
N10	C08	C11	H7	170.5°	90.0°
C26	N23	IR07	C03	27.7°	90.0°
C26	N23	IR07	N10	54.1°	90.0°
C26	N23	C21	IR07	169.2°	90.0°
C26	N23	C21	C24	7.1°	90.0°
C26	N23	IR07	N34	8.0°	90.0°
C26	N23	C21	C18	177.6°	90.0°
C26	N23	IR07	C15	170.4°	90.0°
C26	N23	IR07	N14	129.1°	90.0°
N23	C26	C43	H38	4.8°	90.0°
C09	C42	C41	H20	180.0°	90.0°
C42	C09	C13	N10	174.3°	90.0°
C42	C09	C13	C39	0.8°	90.0°
C09	C42	C41	C40	0.1°	90.0°
C09	C42	C41	H19	179.9°	90.0°
C42	C09	C12	H33	0.1°	90.0°
C13	C09	C42	C41	0.5°	90.0°
C09	C13	N10	C39	172.8°	90.0°
C09	C13	N10	IR07	174.3°	90.0°
C09	C13	C39	C40	0.8°	90.0°
C13	C09	C42	H20	179.5°	90.0°
C13	C09	C12	H33	179.6°	90.0°
C09	C13	C39	H37	179.2°	90.0°
C42	C41	C40	H19	180.0°	90.0°
C42	C41	C40	C39	0.1°	90.0°
C42	C41	C40	H18	179.9°	90.0°
C01	C03	IR07	N10	171.0°	90.0°
C01	C03	IR07	N23	92.3°	90.0°
C01	C03	IR07	N34	103.5°	90.0°
C01	C03	IR07	C15	63.0°	90.0°
C01	C03	IR07	N14	24.8°	90.0°
C03	C01	C04	H5	175.8°	90.0°
C03	IR07	N10	C13	166.9°	90.0°
C03	IR07	N10	N23	74.5°	90.0°
C03	IR07	N10	N34	84.2°	90.0°
C03	IR07	N10	C15	147.0°	90.0°
C03	IR07	N10	N14	110.5°	90.0°
C03	IR07	N23	C21	168.6°	90.0°
C03	IR07	N23	N34	35.7°	90.0°
C03	IR07	N23	C15	161.9°	90.0°
C03	IR07	N23	N14	101.4°	90.0°
C03	IR07	N34	C37	80.7°	90.0°
C03	IR07	N34	C15	168.8°	90.0°
C03	IR07	N34	N14	108.6°	90.0°
C03	IR07	N34	C32	110.7°	90.0°
C03	IR07	C15	N14	98.7°	90.0°
C03	IR07	C15	C18	34.9°	90.0°
C03	IR07	C15	C17	149.2°	90.0°
C03	IR07	N14	C29	77.6°	90.0°
C03	IR07	N14	C28	91.1°	90.0°
IR07	C03	C01	H3	3.3°	90.0°
C58	C59	C55	H32	180.0°	90.0°
C59	C58	N57	H31	180.0°	90.0°
C58	C59	C55	C54	0.2°	90.0°
C59	C58	N57	C56	0.0°	90.0°
C58	C59	C55	H29	179.9°	90.0°
C55	C59	C58	N57	0.1°	90.0°
C59	C55	C54	H29	180.0°	90.0°
C59	C55	C54	C56	0.2°	90.0°
C59	C55	C54	C52	179.7°	90.0°
C55	C59	C58	H31	179.9°	90.0°
N47	C38	C33	H16	121.0°	90.0°
N47	C38	C33	H17	120.9°	90.0°
C38	N47	C48	H40	180.0°	90.0°
N47	C38	C33	C37	109.1°	90.0°
N47	C38	C33	C36	69.0°	90.0°
C38	N47	C48	O53	178.9°	90.0°
C38	N47	C48	C49	1.8°	90.0°
N47	C38	H16	H17	117.0°	90.0°
C33	C38	N47	C48	72.3°	90.0°
C38	C33	C37	C36	178.2°	90.0°
C38	C33	C37	N34	175.2°	90.0°
C38	C33	C36	C35	179.8°	90.0°
C38	C33	C36	H14	0.2°	90.0°
C38	C33	C37	H15	4.8°	90.0°
C33	C38	H16	H17	117.1°	90.0°
C33	C38	N47	H40	107.6°	90.0°
C25	C24	C21	N23	3.3°	90.0°
C25	C24	C21	H10	180.0°	90.0°
C25	C24	C21	C18	178.9°	90.0°
C58	N57	C56	C54	0.1°	90.0°
C58	N57	C56	H30	179.9°	90.0°
N57	C58	C59	H32	179.9°	90.0°
C13	N10	IR07	N23	92.4°	90.0°
C13	N10	IR07	N34	108.9°	90.0°
C13	N10	IR07	C15	19.9°	90.0°
C13	N10	IR07	N14	82.6°	90.0°
N10	C13	C39	C40	174.1°	90.0°
N10	C13	C39	H37	5.9°	90.0°
IR07	N10	C13	C39	12.8°	90.0°
N10	IR07	N23	C21	109.5°	90.0°
N10	IR07	N23	N34	46.1°	90.0°
N10	IR07	N23	C15	116.2°	90.0°
N10	IR07	N23	N14	176.7°	90.0°
N10	IR07	N34	C37	5.4°	90.0°
N10	IR07	N34	C15	105.1°	90.0°
N10	IR07	N34	N14	165.3°	90.0°
N10	IR07	N34	C32	163.2°	90.0°
N10	IR07	C15	N14	145.0°	90.0°
N10	IR07	C15	C18	81.4°	90.0°
N10	IR07	C15	C17	94.5°	90.0°
N10	IR07	N14	C29	25.8°	90.0°
N10	IR07	N14	C28	165.6°	90.0°
C13	C39	C40	C41	0.5°	90.0°
C13	C39	C40	H37	180.0°	90.0°
C13	C39	C40	H18	179.5°	90.0°
N23	C21	C24	C18	175.6°	90.0°
C21	N23	IR07	N34	155.7°	90.0°
C21	N23	IR07	C15	6.7°	90.0°
C21	N23	IR07	N14	67.2°	90.0°
N23	C21	C18	C15	4.3°	90.0°
N23	C21	C18	C19	176.2°	90.0°
N23	C21	C24	H10	176.7°	90.0°
N23	IR07	N34	C37	46.0°	90.0°
IR07	N23	C21	C24	176.3°	90.0°
N23	IR07	N34	C15	156.4°	90.0°
N23	IR07	N34	N14	143.3°	90.0°
N23	IR07	N34	C32	145.4°	90.0°
IR07	N23	C21	C18	8.4°	90.0°
N23	IR07	C15	N14	128.6°	90.0°
N23	IR07	C15	C18	5.1°	90.0°
N23	IR07	C15	C17	179.0°	90.0°
N23	IR07	N14	C29	160.0°	90.0°
N23	IR07	N14	C28	8.7°	90.0°
N47	C48	O53	C49	179.5°	90.0°
N47	C48	C49	C50	169.7°	90.0°
C48	N47	C38	H16	166.7°	90.0°
C48	N47	C38	H17	48.6°	90.0°
N47	C48	C49	H23	68.5°	90.0°
N47	C48	C49	H24	48.0°	90.0°
C33	C37	N34	H15	180.0°	90.0°
C33	C37	N34	IR07	177.0°	90.0°
C33	C37	N34	C32	8.1°	90.0°
C37	C33	C36	C35	2.1°	90.0°
C37	C33	C36	H14	177.9°	90.0°
C37	C33	C38	H16	11.8°	90.0°
C37	C33	C38	H17	129.9°	90.0°
N34	C37	C33	C36	6.6°	90.0°
C37	N34	IR07	C32	168.6°	90.0°
C37	N34	IR07	C15	110.5°	90.0°
C37	N34	IR07	N14	170.7°	90.0°
C37	N34	C32	C35	6.4°	90.0°
C37	N34	C32	C29	176.8°	90.0°
C33	C36	C35	H14	180.0°	90.0°
C33	C36	C35	C32	0.7°	90.0°
C36	C33	C37	H15	173.4°	90.0°
C36	C33	C38	H16	170.0°	90.0°
C36	C33	C38	H17	51.9°	90.0°
C33	C36	C35	H36	179.3°	90.0°
C41	C40	C39	H18	180.0°	90.0°
C40	C41	C42	H20	179.9°	90.0°
C41	C40	C39	H37	179.5°	90.0°
C55	C54	C56	N57	0.1°	90.0°
C55	C54	C56	C52	179.6°	90.0°
C55	C54	C52	S51	107.1°	90.0°
C55	C54	C52	H27	14.5°	90.0°
C55	C54	C52	H28	131.3°	90.0°
C55	C54	C56	H30	179.9°	90.0°
C54	C55	C59	H32	179.8°	90.0°
N57	C56	C54	H30	180.0°	90.0°
N57	C56	C54	C52	179.7°	90.0°
C56	N57	C58	H31	180.0°	90.0°
C24	C21	C18	C15	179.2°	90.0°
C24	C21	C18	C19	0.3°	90.0°
C21	C24	C25	H34	178.5°	90.0°
N34	IR07	C15	N14	62.7°	90.0°
IR07	N34	C32	C35	178.2°	90.0°
IR07	N34	C32	C29	5.0°	90.0°
N34	IR07	C15	C18	163.7°	90.0°
N34	IR07	C15	C17	12.2°	90.0°
N34	IR07	N14	C29	1.4°	90.0°
N34	IR07	N14	C28	170.1°	90.0°
IR07	N34	C37	H15	3.0°	90.0°
C32	N34	IR07	C15	58.1°	90.0°
C32	N34	IR07	N14	2.1°	90.0°
N34	C32	C35	C36	3.4°	90.0°
N34	C32	C35	C29	176.7°	90.0°
N34	C32	C29	N14	6.4°	90.0°
N34	C32	C29	C30	177.1°	90.0°
C32	N34	C37	H15	171.9°	90.0°
N34	C32	C35	H36	176.6°	90.0°
C21	C18	C15	IR07	2.1°	90.0°
C21	C18	C15	C19	179.5°	90.0°
C21	C18	C15	C17	178.2°	90.0°
C21	C18	C19	C16	179.9°	90.0°
C21	C18	C19	H8	0.2°	90.0°
C18	C21	C24	H10	1.1°	90.0°
IR07	C15	C18	C17	176.1°	90.0°
IR07	C15	C18	C19	177.4°	90.0°
C15	IR07	N14	C29	140.9°	90.0°
C15	IR07	N14	C28	50.4°	90.0°
IR07	C15	C17	C20	179.9°	90.0°
IR07	C15	C17	H2	0.1°	90.0°
IR07	N14	C29	C32	4.5°	90.0°
N14	IR07	C15	C18	133.6°	90.0°
N14	IR07	C15	C17	50.5°	90.0°
IR07	N14	C29	C28	170.1°	90.0°
IR07	N14	C29	C30	179.0°	90.0°
IR07	N14	C28	C31	179.9°	90.0°
IR07	N14	C28	H12	0.1°	90.0°
O53	C48	C49	C50	9.6°	90.0°
O53	C48	C49	H23	112.2°	90.0°
O53	C48	C49	H24	131.3°	90.0°
O53	C48	N47	H40	1.1°	90.0°
C48	C49	C50	H23	121.7°	90.0°
C48	C49	C50	H24	121.7°	90.0°
C48	C49	C50	S51	150.0°	90.0°
C48	C49	H23	H24	114.4°	90.0°
C48	C49	C50	H25	88.8°	90.0°
C48	C49	C50	H26	28.7°	90.0°
C49	C48	N47	H40	178.2°	90.0°
C36	C35	C32	H36	180.0°	90.0°
C36	C35	C32	C29	179.9°	90.0°
C39	C40	C41	H19	179.9°	90.0°
C49	C50	S51	H25	121.3°	90.0°
C49	C50	S51	H26	121.2°	90.0°
C49	C50	S51	C52	64.8°	90.0°
C50	C49	H23	H24	114.4°	90.0°
C49	C50	H25	H26	116.1°	90.0°
C56	C54	C52	S51	73.3°	90.0°
C56	C54	C52	H27	165.1°	90.0°
C56	C54	C52	H28	48.3°	90.0°
C56	C54	C55	H29	179.8°	90.0°
C54	C52	S51	C50	33.2°	90.0°
C54	C52	S51	H27	121.6°	90.0°
C54	C52	S51	H28	121.6°	90.0°
C54	C52	H27	H28	114.8°	90.0°
C52	C54	C55	H29	0.3°	90.0°
C52	C54	C56	H30	0.3°	90.0°
C35	C32	C29	N14	176.6°	90.0°
C35	C32	C29	C30	0.0°	90.0°
C32	C35	C36	H14	179.3°	90.0°
C32	C29	N14	C30	176.5°	90.0°
C32	C29	N14	C28	174.6°	90.0°
C32	C29	C30	C27	180.0°	90.0°
C32	C29	C30	H13	0.0°	90.0°
C29	C32	C35	H36	0.1°	90.0°
C15	C18	C19	C16	0.5°	90.0°
C18	C15	C17	C20	3.6°	90.0°
C18	C15	C17	H2	176.4°	90.0°
C15	C18	C19	H8	179.5°	90.0°
C19	C18	C15	C17	1.3°	90.0°
C18	C19	C16	H8	180.0°	90.0°
C18	C19	C16	C20	0.3°	90.0°
C18	C19	C16	H1	179.7°	90.0°
C15	C17	C20	H2	180.0°	90.0°
C15	C17	C20	C16	4.0°	90.0°
C15	C17	C20	H9	176.0°	90.0°
S51	C50	C49	H23	28.2°	90.0°
S51	C50	C49	H24	88.3°	90.0°
S51	C50	H25	H26	116.1°	90.0°
C50	S51	C52	H27	88.4°	90.0°
C50	S51	C52	H28	154.8°	90.0°
C29	N14	C28	C31	11.3°	90.0°
N14	C29	C30	C27	3.7°	90.0°
C29	N14	C28	H12	168.7°	90.0°
N14	C29	C30	H13	176.3°	90.0°
C28	N14	C29	C30	9.0°	90.0°
N14	C28	C31	H12	180.0°	90.0°
N14	C28	C31	C27	8.0°	90.0°
N14	C28	C31	H35	172.0°	90.0°
C29	C30	C27	H13	180.0°	90.0°
C29	C30	C27	C31	0.0°	90.0°
C29	C30	C27	H11	180.0°	90.0°
C28	C31	C27	C30	2.0°	90.0°
C28	C31	C27	H35	180.0°	90.0°
C28	C31	C27	H11	178.0°	90.0°
C52	S51	C50	H25	56.5°	90.0°
C52	S51	C50	H26	174.0°	90.0°
S51	C52	H27	H28	114.8°	90.0°
C19	C16	C20	C17	1.8°	90.0°
C19	C16	C20	H1	180.0°	90.0°
C19	C16	C20	H9	178.2°	90.0°
C30	C27	C31	H11	180.0°	90.0°
C30	C27	C31	H35	178.0°	90.0°
C17	C20	C16	H9	180.0°	90.0°
C17	C20	C16	H1	178.2°	90.0°
C27	C31	C28	H12	172.0°	90.0°
C31	C27	C30	H13	180.0°	90.0°
C16	C20	C17	H2	176.0°	90.0°
C20	C16	C19	H8	179.8°	90.0°
H1	C16	C19	H8	0.3°	90.0°
H1	C16	C20	H9	1.8°	90.0°
H2	C17	C20	H9	4.0°	90.0°
H3	C01	C04	H5	4.3°	90.0°
H4	C02	C05	H6	0.2°	90.0°
H5	C04	C05	H6	0.7°	90.0°
H7	C11	C12	H33	1.7°	90.0°
H10	C24	C25	H34	1.5°	90.0°
H11	C27	C30	H13	0.0°	90.0°
H11	C27	C31	H35	2.0°	90.0°
H12	C28	C31	H35	8.0°	90.0°
H14	C36	C35	H36	0.8°	90.0°
H16	C38	N47	H40	13.3°	90.0°
H17	C38	N47	H40	131.4°	90.0°
H18	C40	C41	H19	0.1°	90.0°
H18	C40	C39	H37	0.5°	90.0°
H19	C41	C42	H20	0.1°	90.0°
H21	C44	C45	H22	0.8°	90.0°
H21	C44	C43	H38	0.7°	90.0°
H22	C45	C46	H39	0.6°	90.0°
H23	C49	C50	H25	149.5°	90.0°
H23	C49	C50	H26	93.0°	90.0°
H24	C49	C50	H25	33.0°	90.0°
H24	C49	C50	H26	150.5°	90.0°
H29	C55	C59	H32	0.1°	90.0°
H31	C58	C59	H32	0.1°	90.0°

Release date:	2022-08-31
Definition date:	2022-04-20
Last modified:	2022-08-26
Release status:	REL
Processing site:	RCSB
Derived from:	7UAY