O3L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	doub	0.00Å	1.39Å	Aromatic
C11	C08	sing	0.00Å	1.41Å	Aromatic
C12	C09	sing	0.00Å	1.39Å	Aromatic
C02	C05	doub	0.00Å	1.40Å	Aromatic
C02	C06	sing	0.00Å	1.42Å	Aromatic
C05	C04	sing	0.00Å	1.40Å	Aromatic
C08	C06	sing	0.00Å	1.47Å
C08	N10	doub	0.00Å	1.34Å	Aromatic
C06	C03	doub	0.00Å	1.41Å	Aromatic
C09	C13	doub	0.00Å	1.40Å	Aromatic
C04	C01	doub	0.00Å	1.42Å	Aromatic
C20	C17	doub	0.00Å	1.42Å	Aromatic
C20	C16	sing	0.00Å	1.39Å	Aromatic
C17	C15	sing	0.00Å	1.43Å	Aromatic
C13	N10	sing	0.00Å	1.37Å	Aromatic
N10	IR07	sing	0.00Å	1.97Å
C16	C19	doub	0.00Å	1.40Å	Aromatic
C03	C01	sing	0.00Å	1.43Å	Aromatic
C03	IR07	sing	0.00Å	1.98Å
C15	C18	doub	0.00Å	1.41Å	Aromatic
C15	IR07	sing	0.00Å	1.99Å
C19	C18	sing	0.00Å	1.41Å	Aromatic
C18	C21	sing	0.00Å	1.48Å
IR07	N34	sing	0.00Å	1.98Å
IR07	N14	sing	0.00Å	2.01Å
IR07	N23	sing	0.00Å	1.97Å
C37	N34	doub	0.00Å	1.35Å	Aromatic
C37	C33	sing	0.00Å	1.41Å	Aromatic
C50	C49	doub	0.00Å	1.43Å	Aromatic
C50	C51	sing	0.00Å	1.40Å	Aromatic
C38	C33	sing	0.00Å	1.55Å
C38	N39	sing	0.00Å	1.47Å
C49	N48	sing	0.00Å	1.35Å	Aromatic
N34	C32	sing	0.00Å	1.33Å	Aromatic
C33	C36	doub	0.00Å	1.40Å	Aromatic
C21	N23	doub	0.00Å	1.36Å	Aromatic
C21	C24	sing	0.00Å	1.42Å	Aromatic
N14	C28	doub	0.00Å	1.35Å	Aromatic
N14	C29	sing	0.00Å	1.37Å	Aromatic
N23	C26	sing	0.00Å	1.36Å	Aromatic
C28	C31	sing	0.00Å	1.42Å	Aromatic
N39	C40	sing	0.00Å	1.47Å
C32	C29	sing	0.00Å	1.45Å
C32	C35	doub	0.00Å	1.42Å	Aromatic
C41	C40	sing	0.00Å	1.53Å
C41	C42	sing	0.00Å	1.53Å
C51	C45	doub	0.00Å	1.41Å	Aromatic
N48	C47	doub	0.00Å	1.34Å	Aromatic
C29	C30	doub	0.00Å	1.41Å	Aromatic
C24	C25	doub	0.00Å	1.39Å	Aromatic
C36	C35	sing	0.00Å	1.40Å	Aromatic
C40	O46	doub	0.00Å	1.21Å
C31	C27	doub	0.00Å	1.40Å	Aromatic
C26	C22	doub	0.00Å	1.42Å	Aromatic
C30	C27	sing	0.00Å	1.38Å	Aromatic
C42	S43	sing	0.00Å	1.72Å
C47	C45	sing	0.00Å	1.43Å	Aromatic
C45	C44	sing	0.00Å	1.54Å
C25	C22	sing	0.00Å	1.41Å	Aromatic
C44	S43	sing	0.00Å	1.72Å
C19	H1	sing	0.00Å	1.08Å
C20	H2	sing	0.00Å	1.08Å
C22	H3	sing	0.00Å	1.08Å
C24	H4	sing	0.00Å	1.08Å
C01	H5	sing	0.00Å	1.08Å
C02	H6	sing	0.00Å	1.08Å
C04	H7	sing	0.00Å	1.08Å
C05	H8	sing	0.00Å	1.08Å
C09	H9	sing	0.00Å	1.08Å
C11	H10	sing	0.00Å	1.08Å
C12	H11	sing	0.00Å	1.08Å
C13	H12	sing	0.00Å	1.08Å
C16	H13	sing	0.00Å	1.08Å
C17	H14	sing	0.00Å	1.08Å
C25	H15	sing	0.00Å	1.08Å
C26	H16	sing	0.00Å	1.08Å
C27	H17	sing	0.00Å	1.08Å
C28	H18	sing	0.00Å	1.08Å
C30	H19	sing	0.00Å	1.08Å
C31	H20	sing	0.00Å	1.08Å
C35	H21	sing	0.00Å	1.08Å
C36	H22	sing	0.00Å	1.08Å
C37	H23	sing	0.00Å	1.08Å
C38	H24	sing	0.00Å	1.10Å
C38	H25	sing	0.00Å	1.10Å
C42	H26	sing	0.00Å	1.10Å
C42	H27	sing	0.00Å	1.10Å
C47	H28	sing	0.00Å	1.08Å
C49	H29	sing	0.00Å	1.08Å
C50	H30	sing	0.00Å	1.08Å
N39	H31	sing	0.00Å	1.00Å
C41	H32	sing	0.00Å	1.10Å
C41	H33	sing	0.00Å	1.10Å
C44	H34	sing	0.00Å	1.10Å
C44	H35	sing	0.00Å	1.10Å
C51	H36	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C08	120.2°	90.0°
C11	C12	C09	118.4°	90.0°
C12	C11	H10	119.9°	90.0°
C11	C12	H11	120.8°	90.0°
C11	C08	C06	123.3°	90.0°
C11	C08	N10	122.7°	90.0°
C08	C11	H10	119.9°	90.0°
C12	C09	C13	117.5°	90.0°
C12	C09	H9	121.2°	90.0°
C09	C12	H11	120.8°	90.0°
C05	C02	C06	122.3°	90.0°
C02	C05	C04	117.0°	90.0°
C05	C02	H6	118.9°	90.0°
C02	C05	H8	121.5°	90.0°
C02	C06	C08	126.1°	90.0°
C02	C06	C03	122.4°	90.0°
C06	C02	H6	118.8°	90.0°
C05	C04	C01	120.6°	90.0°
C05	C04	H7	119.7°	90.0°
C04	C05	H8	121.5°	90.0°
C06	C08	N10	114.0°	90.0°
C08	C06	C03	111.5°	90.0°
C08	N10	C13	115.8°	90.0°
C08	N10	IR07	118.0°	90.0°
C06	C03	C01	114.2°	90.0°
C06	C03	IR07	116.3°	90.0°
C09	C13	N10	125.2°	90.0°
C13	C09	H9	121.3°	90.0°
C09	C13	H12	117.4°	90.0°
C04	C01	C03	123.5°	90.0°
C04	C01	H5	118.3°	90.0°
C01	C04	H7	119.7°	90.0°
C17	C20	C16	120.5°	90.0°
C20	C17	C15	123.5°	90.0°
C17	C20	H2	119.8°	90.0°
C20	C17	H14	118.2°	90.0°
C20	C16	C19	116.9°	90.0°
C16	C20	H2	119.8°	90.0°
C20	C16	H13	121.5°	90.0°
C17	C15	C18	114.2°	90.0°
C17	C15	IR07	129.5°	90.0°
C15	C17	H14	118.3°	90.0°
C13	N10	IR07	125.8°	90.0°
N10	C13	H12	117.4°	90.0°
N10	IR07	C03	80.0°	90.0°
N10	IR07	C15	82.5°	90.0°
N10	IR07	N34	108.4°	90.0°
N10	IR07	N14	88.3°	90.0°
N10	IR07	N23	162.7°	90.0°
C16	C19	C18	122.8°	90.0°
C16	C19	H1	118.6°	90.0°
C19	C16	H13	121.5°	90.0°
C01	C03	IR07	129.4°	90.0°
C03	C01	H5	118.3°	90.0°
C03	IR07	C15	84.4°	90.0°
C03	IR07	N34	88.8°	90.0°
C03	IR07	N14	156.7°	90.0°
C03	IR07	N23	96.9°	90.0°
C18	C15	IR07	116.1°	90.0°
C15	C18	C19	122.0°	90.0°
C15	C18	C21	111.8°	90.0°
C15	IR07	N34	165.9°	90.0°
C15	IR07	N14	114.1°	90.0°
C15	IR07	N23	80.2°	90.0°
C19	C18	C21	126.2°	90.0°
C18	C19	H1	118.6°	90.0°
C18	C21	N23	114.1°	90.0°
C18	C21	C24	121.9°	90.0°
N34	IR07	N14	75.9°	90.0°
N34	IR07	N23	88.4°	90.0°
IR07	N34	C37	124.9°	90.0°
IR07	N34	C32	122.5°	90.0°
N14	IR07	N23	100.0°	90.0°
IR07	N14	C28	130.7°	90.0°
IR07	N14	C29	118.0°	90.0°
IR07	N23	C21	117.6°	90.0°
IR07	N23	C26	126.8°	90.0°
N34	C37	C33	127.6°	90.0°
C37	N34	C32	112.4°	90.0°
N34	C37	H23	116.2°	90.0°
C37	C33	C38	116.7°	90.0°
C37	C33	C36	119.2°	90.0°
C33	C37	H23	116.2°	90.0°
C49	C50	C51	120.5°	90.0°
C50	C49	N48	122.2°	90.0°
C50	C49	H29	118.9°	90.0°
C49	C50	H30	119.7°	90.0°
C50	C51	C45	115.8°	90.0°
C51	C50	H30	119.7°	90.0°
C50	C51	H36	122.1°	90.0°
C33	C38	N39	125.6°	90.0°
C38	C33	C36	124.1°	90.0°
C33	C38	H24	105.3°	90.0°
C33	C38	H25	105.3°	90.0°
C38	N39	C40	119.1°	90.0°
N39	C38	H24	105.3°	90.0°
N39	C38	H25	105.3°	90.0°
C38	N39	H31	120.5°	90.0°
C49	N48	C47	118.7°	90.0°
N48	C49	H29	118.9°	90.0°
N34	C32	C29	110.4°	90.0°
N34	C32	C35	124.7°	90.0°
C33	C36	C35	114.0°	90.0°
C33	C36	H22	123.0°	90.0°
N23	C21	C24	124.0°	90.0°
C21	N23	C26	115.4°	90.0°
C21	C24	C25	120.7°	90.0°
C21	C24	H4	119.6°	90.0°
C28	N14	C29	111.0°	90.0°
N14	C28	C31	123.7°	90.0°
N14	C28	H18	118.2°	90.0°
N14	C29	C32	113.1°	90.0°
N14	C29	C30	127.8°	90.0°
N23	C26	C22	123.4°	90.0°
N23	C26	H16	118.3°	90.0°
C28	C31	C27	124.4°	90.0°
C31	C28	H18	118.2°	90.0°
C28	C31	H20	117.8°	90.0°
N39	C40	C41	131.9°	90.0°
N39	C40	O46	116.0°	90.0°
C40	N39	H31	120.5°	90.0°
C29	C32	C35	124.9°	90.0°
C32	C29	C30	119.1°	90.0°
C32	C35	C36	122.0°	90.0°
C32	C35	H21	119.0°	90.0°
C40	C41	C42	112.1°	90.0°
C41	C40	O46	112.1°	90.0°
C40	C41	H32	108.8°	90.0°
C40	C41	H33	108.8°	90.0°
C41	C42	S43	118.1°	90.0°
C41	C42	H26	107.2°	90.0°
C41	C42	H27	107.2°	90.0°
C42	C41	H32	108.8°	90.0°
C42	C41	H33	108.8°	90.0°
C51	C45	C47	121.0°	90.0°
C51	C45	C44	126.3°	90.0°
C45	C51	H36	122.1°	90.0°
N48	C47	C45	121.8°	90.0°
N48	C47	H28	119.1°	90.0°
C29	C30	C27	120.5°	90.0°
C29	C30	H19	119.7°	90.0°
C24	C25	C22	115.5°	90.0°
C25	C24	H4	119.7°	90.0°
C24	C25	H15	122.2°	90.0°
C36	C35	H21	119.0°	90.0°
C35	C36	H22	123.0°	90.0°
C31	C27	C30	112.5°	90.0°
C31	C27	H17	123.7°	90.0°
C27	C31	H20	117.8°	90.0°
C26	C22	C25	120.9°	90.0°
C26	C22	H3	119.6°	90.0°
C22	C26	H16	118.3°	90.0°
C30	C27	H17	123.8°	90.0°
C27	C30	H19	119.7°	90.0°
C42	S43	C44	115.0°	90.0°
S43	C42	H26	107.3°	90.0°
S43	C42	H27	107.3°	90.0°
C47	C45	C44	112.6°	90.0°
C45	C47	H28	119.1°	90.0°
C45	C44	S43	113.7°	90.0°
C45	C44	H34	108.4°	90.0°
C45	C44	H35	108.4°	90.0°
C25	C22	H3	119.5°	90.0°
C22	C25	H15	122.3°	90.0°
S43	C44	H34	108.4°	90.0°
S43	C44	H35	108.4°	90.0°
H24	C38	H25	109.5°	90.0°
H26	C42	H27	109.5°	90.0°
H32	C41	H33	109.5°	90.0°
H34	C44	H35	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C08	H10	180.0°	90.0°
C11	C12	C09	H11	180.0°	90.0°
C12	C11	C08	C06	179.2°	90.0°
C12	C11	C08	N10	2.4°	90.0°
C11	C12	C09	C13	0.5°	90.0°
C11	C12	C09	H9	179.5°	90.0°
C08	C11	C12	C09	0.3°	90.0°
C11	C08	C06	C02	0.9°	90.0°
C11	C08	C06	N10	178.6°	90.0°
C11	C08	C06	C03	178.3°	90.0°
C11	C08	N10	C13	4.3°	90.0°
C11	C08	N10	IR07	178.0°	90.0°
C08	C11	C12	H11	179.7°	90.0°
C12	C09	C13	H9	180.0°	90.0°
C12	C09	C13	N10	2.8°	90.0°
C09	C12	C11	H10	179.7°	90.0°
C12	C09	C13	H12	177.2°	90.0°
C05	C02	C06	H6	180.0°	90.0°
C02	C05	C04	H8	180.0°	90.0°
C05	C02	C06	C08	179.5°	90.0°
C05	C02	C06	C03	1.4°	90.0°
C02	C05	C04	C01	0.7°	90.0°
C02	C05	C04	H7	179.4°	90.0°
C06	C02	C05	C04	0.1°	90.0°
C02	C06	C08	C03	179.2°	90.0°
C02	C06	C08	N10	177.7°	90.0°
C02	C06	C03	C01	1.7°	90.0°
C02	C06	C03	IR07	179.2°	90.0°
C06	C02	C05	H8	179.9°	90.0°
C05	C04	C01	H7	180.0°	90.0°
C05	C04	C01	C03	0.2°	90.0°
C05	C04	C01	H5	179.7°	90.0°
C04	C05	C02	H6	179.9°	90.0°
C06	C08	N10	C13	177.1°	90.0°
C06	C08	N10	IR07	3.4°	90.0°
C08	C06	C03	C01	179.1°	90.0°
C08	C06	C03	IR07	1.6°	90.0°
C08	C06	C02	H6	0.4°	90.0°
C06	C08	C11	H10	0.8°	90.0°
N10	C08	C06	C03	3.2°	90.0°
C08	N10	C13	C09	4.6°	90.0°
C08	N10	C13	IR07	173.2°	90.0°
C08	N10	IR07	C03	2.0°	90.0°
C08	N10	IR07	C15	83.6°	90.0°
C08	N10	IR07	N34	87.3°	90.0°
C08	N10	IR07	N14	161.8°	90.0°
C08	N10	IR07	N23	78.9°	90.0°
N10	C08	C11	H10	177.7°	90.0°
C08	N10	C13	H12	175.4°	90.0°
C06	C03	C01	C04	0.9°	90.0°
C06	C03	IR07	N10	0.1°	90.0°
C06	C03	C01	IR07	177.1°	90.0°
C06	C03	IR07	C15	83.3°	90.0°
C06	C03	IR07	N34	109.0°	90.0°
C06	C03	IR07	N14	61.0°	90.0°
C06	C03	IR07	N23	162.8°	90.0°
C06	C03	C01	H5	179.1°	90.0°
C03	C06	C02	H6	178.7°	90.0°
C09	C13	N10	H12	180.0°	90.0°
C09	C13	N10	IR07	177.8°	90.0°
C13	C09	C12	H11	179.5°	90.0°
C04	C01	C03	H5	180.0°	90.0°
C04	C01	C03	IR07	178.0°	90.0°
C01	C04	C05	H8	179.3°	90.0°
C17	C20	C16	H2	180.0°	90.0°
C20	C17	C15	H14	180.0°	90.0°
C17	C20	C16	C19	0.0°	90.0°
C20	C17	C15	C18	2.1°	90.0°
C20	C17	C15	IR07	177.3°	90.0°
C17	C20	C16	H13	179.9°	90.0°
C16	C20	C17	C15	1.1°	90.0°
C20	C16	C19	H13	180.0°	90.0°
C20	C16	C19	C18	0.0°	90.0°
C20	C16	C19	H1	180.0°	90.0°
C16	C20	C17	H14	178.9°	90.0°
C17	C15	IR07	N10	0.2°	90.0°
C17	C15	IR07	C03	80.8°	90.0°
C17	C15	C18	IR07	175.9°	90.0°
C17	C15	C18	C19	2.2°	90.0°
C17	C15	C18	C21	179.0°	90.0°
C17	C15	IR07	N34	142.2°	90.0°
C17	C15	IR07	N14	84.6°	90.0°
C17	C15	IR07	N23	178.8°	90.0°
C15	C17	C20	H2	178.9°	90.0°
C13	N10	IR07	C03	175.0°	90.0°
C13	N10	IR07	C15	89.4°	90.0°
C13	N10	IR07	N34	99.7°	90.0°
C13	N10	IR07	N14	25.2°	90.0°
C13	N10	IR07	N23	94.1°	90.0°
N10	C13	C09	H9	177.2°	90.0°
N10	IR07	C03	C01	177.0°	90.0°
N10	IR07	C03	C15	83.4°	90.0°
N10	IR07	C03	N34	109.0°	90.0°
N10	IR07	C03	N14	60.9°	90.0°
N10	IR07	C03	N23	162.8°	90.0°
N10	IR07	C15	C18	174.9°	90.0°
N10	IR07	C15	N34	142.0°	90.0°
N10	IR07	C15	N14	84.8°	90.0°
N10	IR07	C15	N23	178.6°	90.0°
N10	IR07	N34	N14	83.3°	90.0°
N10	IR07	N34	N23	175.9°	90.0°
N10	IR07	N14	N23	164.7°	90.0°
N10	IR07	N34	C37	101.1°	90.0°
N10	IR07	N34	C32	84.2°	90.0°
N10	IR07	N23	C21	1.1°	90.0°
N10	IR07	N14	C28	65.9°	90.0°
N10	IR07	N14	C29	107.8°	90.0°
N10	IR07	N23	C26	174.7°	90.0°
IR07	N10	C13	H12	2.2°	90.0°
C16	C19	C18	C15	1.3°	90.0°
C16	C19	C18	H1	180.0°	90.0°
C16	C19	C18	C21	179.9°	90.0°
C19	C16	C20	H2	180.0°	90.0°
C01	C03	IR07	C15	99.6°	90.0°
C01	C03	IR07	N34	68.0°	90.0°
C01	C03	IR07	N14	116.1°	90.0°
C01	C03	IR07	N23	20.2°	90.0°
C03	C01	C04	H7	179.8°	90.0°
C03	IR07	C15	C18	94.4°	90.0°
C03	IR07	C15	N34	61.4°	90.0°
C03	IR07	C15	N14	165.4°	90.0°
C03	IR07	C15	N23	98.0°	90.0°
C03	IR07	N34	N14	162.4°	90.0°
C03	IR07	N34	N23	96.9°	90.0°
C03	IR07	N14	N23	135.8°	90.0°
C03	IR07	N34	C37	22.1°	90.0°
C03	IR07	N34	C32	163.2°	90.0°
C03	IR07	N23	C21	79.5°	90.0°
C03	IR07	N14	C28	125.3°	90.0°
C03	IR07	N14	C29	48.4°	90.0°
C03	IR07	N23	C26	96.4°	90.0°
IR07	C03	C01	H5	2.0°	90.0°
C15	C18	C19	C21	178.7°	90.0°
C18	C15	IR07	N34	32.9°	90.0°
C18	C15	IR07	N14	100.3°	90.0°
C18	C15	IR07	N23	3.6°	90.0°
C15	C18	C21	N23	0.2°	90.0°
C15	C18	C21	C24	178.8°	90.0°
C15	C18	C19	H1	178.7°	90.0°
C18	C15	C17	H14	177.8°	90.0°
IR07	C15	C18	C19	178.1°	90.0°
IR07	C15	C18	C21	3.1°	90.0°
C15	IR07	N34	N14	136.7°	90.0°
C15	IR07	N34	N23	35.9°	90.0°
C15	IR07	N14	N23	83.7°	90.0°
C15	IR07	N34	C37	38.9°	90.0°
C15	IR07	N34	C32	135.8°	90.0°
C15	IR07	N23	C21	3.6°	90.0°
C15	IR07	N14	C28	15.2°	90.0°
C15	IR07	N14	C29	171.1°	90.0°
C15	IR07	N23	C26	179.5°	90.0°
IR07	C15	C17	H14	2.6°	90.0°
C19	C18	C21	N23	179.0°	90.0°
C19	C18	C21	C24	0.0°	90.0°
C18	C19	C16	H13	180.0°	90.0°
C18	C21	N23	IR07	2.9°	90.0°
C18	C21	N23	C24	179.0°	90.0°
C18	C21	N23	C26	179.3°	90.0°
C18	C21	C24	C25	179.2°	90.0°
C21	C18	C19	H1	0.1°	90.0°
C18	C21	C24	H4	0.8°	90.0°
N34	IR07	N14	N23	85.7°	90.0°
IR07	N34	C37	C32	175.2°	90.0°
IR07	N34	C37	C33	178.4°	90.0°
N34	IR07	N23	C21	168.0°	90.0°
N34	IR07	N14	C28	175.4°	90.0°
N34	IR07	N14	C29	1.7°	90.0°
N34	IR07	N23	C26	7.8°	90.0°
IR07	N34	C32	C29	2.9°	90.0°
IR07	N34	C32	C35	179.2°	90.0°
IR07	N34	C37	H23	1.6°	90.0°
N14	IR07	N34	C37	175.6°	90.0°
N14	IR07	N34	C32	0.9°	90.0°
N14	IR07	N23	C21	116.6°	90.0°
IR07	N14	C28	C29	174.0°	90.0°
N14	IR07	N23	C26	67.5°	90.0°
IR07	N14	C28	C31	175.9°	90.0°
IR07	N14	C29	C32	3.7°	90.0°
IR07	N14	C29	C30	178.4°	90.0°
IR07	N14	C28	H18	4.1°	90.0°
N23	IR07	N34	C37	74.8°	90.0°
N23	IR07	N34	C32	99.9°	90.0°
IR07	N23	C21	C26	176.3°	90.0°
IR07	N23	C21	C24	178.1°	90.0°
N23	IR07	N14	C28	98.9°	90.0°
N23	IR07	N14	C29	87.4°	90.0°
IR07	N23	C26	C22	176.9°	90.0°
IR07	N23	C26	H16	3.1°	90.0°
N34	C37	C33	H23	180.0°	90.0°
N34	C37	C33	C38	177.6°	90.0°
N34	C37	C33	C36	1.0°	90.0°
C37	N34	C32	C29	178.3°	90.0°
C37	N34	C32	C35	3.8°	90.0°
C37	C33	C38	C36	178.5°	90.0°
C37	C33	C38	N39	120.1°	90.0°
C33	C37	N34	C32	3.2°	90.0°
C37	C33	C36	C35	0.7°	90.0°
C37	C33	C36	H22	179.3°	90.0°
C37	C33	C38	H24	117.7°	90.0°
C37	C33	C38	H25	2.0°	90.0°
C49	C50	C51	H30	180.0°	90.0°
C50	C49	N48	H29	180.0°	90.0°
C49	C50	C51	C45	0.2°	90.0°
C50	C49	N48	C47	0.8°	90.0°
C49	C50	C51	H36	179.8°	90.0°
C51	C50	C49	N48	0.2°	90.0°
C50	C51	C45	H36	180.0°	90.0°
C50	C51	C45	C47	0.7°	90.0°
C50	C51	C45	C44	177.7°	90.0°
C51	C50	C49	H29	179.8°	90.0°
C33	C38	N39	H24	122.2°	90.0°
C33	C38	N39	H25	122.1°	90.0°
C33	C38	N39	C40	98.0°	90.0°
C38	C33	C36	C35	179.2°	90.0°
C38	C33	C36	H22	0.8°	90.0°
C38	C33	C37	H23	2.4°	90.0°
C33	C38	H24	H25	112.8°	90.0°
C33	C38	N39	H31	82.0°	90.0°
N39	C38	C33	C36	61.4°	90.0°
C38	N39	C40	H31	180.0°	90.0°
C38	N39	C40	C41	1.5°	90.0°
C38	N39	C40	O46	180.0°	90.0°
N39	C38	H24	H25	112.8°	90.0°
C49	N48	C47	C45	1.3°	90.0°
C49	N48	C47	H28	178.7°	90.0°
N48	C49	C50	H30	179.8°	90.0°
N34	C32	C29	N14	4.1°	90.0°
N34	C32	C29	C35	177.9°	90.0°
N34	C32	C29	C30	177.8°	90.0°
N34	C32	C35	C36	2.5°	90.0°
N34	C32	C35	H21	177.5°	90.0°
C32	N34	C37	H23	176.8°	90.0°
C33	C36	C35	C32	0.1°	90.0°
C33	C36	C35	H22	180.0°	90.0°
C33	C36	C35	H21	179.9°	90.0°
C36	C33	C37	H23	179.0°	90.0°
C36	C33	C38	H24	60.8°	90.0°
C36	C33	C38	H25	176.5°	90.0°
N23	C21	C24	C25	1.9°	90.0°
C21	N23	C26	C22	1.0°	90.0°
N23	C21	C24	H4	178.1°	90.0°
C21	N23	C26	H16	179.0°	90.0°
C24	C21	N23	C26	1.8°	90.0°
C21	C24	C25	H4	180.0°	90.0°
C21	C24	C25	C22	1.1°	90.0°
C21	C24	C25	H15	178.9°	90.0°
N14	C28	C31	H18	180.0°	90.0°
C28	N14	C29	C32	178.6°	90.0°
C28	N14	C29	C30	3.5°	90.0°
N14	C28	C31	C27	0.8°	90.0°
N14	C28	C31	H20	179.2°	90.0°
C29	N14	C28	C31	1.9°	90.0°
N14	C29	C32	C30	178.1°	90.0°
N14	C29	C32	C35	178.0°	90.0°
N14	C29	C30	C27	2.4°	90.0°
C29	N14	C28	H18	178.1°	90.0°
N14	C29	C30	H19	177.6°	90.0°
N23	C26	C22	H16	180.0°	90.0°
N23	C26	C22	C25	0.3°	90.0°
N23	C26	C22	H3	179.7°	90.0°
C28	C31	C27	H20	180.0°	90.0°
C28	C31	C27	C30	2.0°	90.0°
C28	C31	C27	H17	177.9°	90.0°
N39	C40	C41	O46	178.5°	90.0°
N39	C40	C41	C42	158.6°	90.0°
C40	N39	C38	H24	24.2°	90.0°
C40	N39	C38	H25	139.9°	90.0°
N39	C40	C41	H32	38.2°	90.0°
N39	C40	C41	H33	81.0°	90.0°
C29	C32	C35	C36	179.9°	90.0°
C32	C29	C30	C27	179.8°	90.0°
C32	C29	C30	H19	0.2°	90.0°
C29	C32	C35	H21	0.1°	90.0°
C35	C32	C29	C30	0.1°	90.0°
C32	C35	C36	H21	180.0°	90.0°
C32	C35	C36	H22	179.9°	90.0°
C40	C41	C42	H32	120.4°	90.0°
C40	C41	C42	H33	120.4°	90.0°
C40	C41	C42	S43	88.7°	90.0°
C40	C41	C42	H26	150.0°	90.0°
C40	C41	C42	H27	32.5°	90.0°
C41	C40	N39	H31	178.5°	90.0°
C40	C41	H32	H33	118.8°	90.0°
C42	C41	C40	O46	19.9°	90.0°
C41	C42	S43	H26	121.2°	90.0°
C41	C42	S43	H27	121.2°	90.0°
C41	C42	S43	C44	101.6°	90.0°
C41	C42	H26	H27	116.0°	90.0°
C42	C41	H32	H33	118.8°	90.0°
C51	C45	C47	N48	1.3°	90.0°
C51	C45	C47	C44	177.4°	90.0°
C51	C45	C44	S43	92.1°	90.0°
C51	C45	C47	H28	178.6°	90.0°
C45	C51	C50	H30	179.8°	90.0°
C51	C45	C44	H34	28.5°	90.0°
C51	C45	C44	H35	147.2°	90.0°
N48	C47	C45	H28	180.0°	90.0°
N48	C47	C45	C44	178.7°	90.0°
C47	N48	C49	H29	179.2°	90.0°
C29	C30	C27	C31	0.6°	90.0°
C29	C30	C27	H19	180.0°	90.0°
C29	C30	C27	H17	179.4°	90.0°
C24	C25	C22	C26	0.3°	90.0°
C24	C25	C22	H15	180.0°	90.0°
C24	C25	C22	H3	179.7°	90.0°
O46	C40	N39	H31	0.0°	90.0°
O46	C40	C41	H32	140.3°	90.0°
O46	C40	C41	H33	100.5°	90.0°
C31	C27	C30	H17	180.0°	90.0°
C27	C31	C28	H18	179.2°	90.0°
C31	C27	C30	H19	179.4°	90.0°
C26	C22	C25	H3	180.0°	90.0°
C26	C22	C25	H15	179.7°	90.0°
C30	C27	C31	H20	178.0°	90.0°
C42	S43	C44	C45	3.8°	90.0°
S43	C42	H26	H27	116.1°	90.0°
S43	C42	C41	H32	31.7°	90.0°
S43	C42	C41	H33	150.9°	90.0°
C42	S43	C44	H34	124.4°	90.0°
C42	S43	C44	H35	116.8°	90.0°
C47	C45	C44	S43	85.1°	90.0°
C47	C45	C44	H34	154.3°	90.0°
C47	C45	C44	H35	35.5°	90.0°
C47	C45	C51	H36	179.3°	90.0°
C45	C44	S43	H34	120.6°	90.0°
C45	C44	S43	H35	120.6°	90.0°
C44	C45	C47	H28	1.3°	90.0°
C45	C44	H34	H35	118.1°	90.0°
C44	C45	C51	H36	2.3°	90.0°
C22	C25	C24	H4	178.9°	90.0°
C25	C22	C26	H16	179.7°	90.0°
C44	S43	C42	H26	19.6°	90.0°
C44	S43	C42	H27	137.2°	90.0°
S43	C44	H34	H35	118.1°	90.0°
H1	C19	C16	H13	0.0°	90.0°
H2	C20	C16	H13	0.1°	90.0°
H2	C20	C17	H14	1.1°	90.0°
H3	C22	C25	H15	0.3°	90.0°
H3	C22	C26	H16	0.3°	90.0°
H4	C24	C25	H15	1.1°	90.0°
H5	C01	C04	H7	0.2°	90.0°
H6	C02	C05	H8	0.1°	90.0°
H7	C04	C05	H8	0.6°	90.0°
H9	C09	C12	H11	0.5°	90.0°
H9	C09	C13	H12	2.8°	90.0°
H10	C11	C12	H11	0.3°	90.0°
H17	C27	C30	H19	0.6°	90.0°
H17	C27	C31	H20	2.1°	90.0°
H18	C28	C31	H20	0.8°	90.0°
H21	C35	C36	H22	0.1°	90.0°
H24	C38	N39	H31	155.8°	90.0°
H25	C38	N39	H31	40.1°	90.0°
H26	C42	C41	H32	89.6°	90.0°
H26	C42	C41	H33	29.7°	90.0°
H27	C42	C41	H32	152.9°	90.0°
H27	C42	C41	H33	87.8°	90.0°
H29	C49	C50	H30	0.2°	90.0°
H30	C50	C51	H36	0.2°	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:	7UAZ