IRQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C34	doub	0.00Å	1.43Å
C35	C34	sing	0.00Å	1.53Å
C35	C36	sing	0.00Å	1.54Å
C34	N01	sing	0.00Å	1.51Å
C03	C04	doub	0.00Å	1.38Å	Aromatic
C03	C02	sing	0.00Å	1.38Å	Aromatic
C04	C05	sing	0.00Å	1.38Å	Aromatic
C36	C37	sing	0.00Å	1.53Å
N01	C33	sing	0.00Å	1.51Å
N01	C37	sing	0.00Å	1.50Å
C33	C02	sing	0.00Å	1.54Å
C07	C08	doub	0.00Å	1.38Å	Aromatic
C07	C06	sing	0.00Å	1.38Å	Aromatic
C02	C01	doub	0.00Å	1.38Å	Aromatic
C37	O02	doub	0.00Å	1.43Å
C08	C09	sing	0.00Å	1.38Å	Aromatic
C05	C06	sing	0.00Å	1.48Å
C05	N02	doub	0.00Å	1.36Å	Aromatic
C06	N03	doub	0.00Å	1.34Å	Aromatic
C01	N02	sing	0.00Å	1.35Å	Aromatic
N02	IR1	sing	0.00Å	2.13Å
C09	C10	doub	0.00Å	1.36Å	Aromatic
N03	C10	sing	0.00Å	1.35Å	Aromatic
N03	IR1	sing	0.00Å	2.13Å
C23	C22	doub	0.00Å	1.36Å	Aromatic
C23	C24	sing	0.00Å	1.38Å	Aromatic
C22	N05	sing	0.00Å	1.36Å	Aromatic
C24	C25	doub	0.00Å	1.38Å	Aromatic
N05	IR1	sing	0.00Å	2.04Å
N05	C26	doub	0.00Å	1.37Å	Aromatic
IR1	N04	sing	0.00Å	2.06Å
IR1	C21	sing	0.00Å	2.03Å
IR1	C32	sing	0.00Å	2.01Å
C11	N04	doub	0.00Å	1.35Å	Aromatic
C11	C12	sing	0.00Å	1.38Å	Aromatic
N04	C15	sing	0.00Å	1.37Å	Aromatic
C12	C13	doub	0.00Å	1.38Å	Aromatic
C25	C26	sing	0.00Å	1.38Å	Aromatic
C26	C27	sing	0.00Å	1.48Å
C21	C20	doub	0.00Å	1.40Å	Aromatic
C21	C16	sing	0.00Å	1.40Å	Aromatic
C20	C19	sing	0.00Å	1.39Å	Aromatic
C15	C16	sing	0.00Å	1.48Å
C15	C14	doub	0.00Å	1.39Å	Aromatic
C13	C14	sing	0.00Å	1.38Å	Aromatic
C32	C27	doub	0.00Å	1.41Å	Aromatic
C32	C31	sing	0.00Å	1.39Å	Aromatic
C16	C17	doub	0.00Å	1.41Å	Aromatic
C27	C28	sing	0.00Å	1.40Å	Aromatic
C19	F03	sing	0.00Å	1.35Å
C19	C18	doub	0.00Å	1.38Å	Aromatic
C17	C18	sing	0.00Å	1.38Å	Aromatic
C17	F04	sing	0.00Å	1.35Å
C31	C30	doub	0.00Å	1.38Å	Aromatic
C28	F02	sing	0.00Å	1.35Å
C28	C29	doub	0.00Å	1.39Å	Aromatic
C30	C29	sing	0.00Å	1.38Å	Aromatic
C30	F01	sing	0.00Å	1.35Å
C01	H1	sing	0.00Å	1.08Å
C03	H2	sing	0.00Å	1.08Å
C04	H3	sing	0.00Å	1.08Å
C07	H4	sing	0.00Å	1.08Å
C08	H5	sing	0.00Å	1.08Å
C09	H6	sing	0.00Å	1.08Å
C10	H7	sing	0.00Å	1.08Å
C11	H8	sing	0.00Å	1.08Å
C12	H9	sing	0.00Å	1.08Å
C13	H10	sing	0.00Å	1.08Å
C14	H11	sing	0.00Å	1.08Å
C18	H12	sing	0.00Å	1.08Å
C20	H13	sing	0.00Å	1.08Å
C22	H14	sing	0.00Å	1.08Å
C23	H15	sing	0.00Å	1.08Å
C24	H16	sing	0.00Å	1.08Å
C25	H17	sing	0.00Å	1.08Å
C29	H18	sing	0.00Å	1.08Å
C31	H19	sing	0.00Å	1.08Å
C33	H20	sing	0.00Å	1.10Å
C33	H21	sing	0.00Å	1.10Å
C35	H22	sing	0.00Å	1.10Å
C35	H23	sing	0.00Å	1.10Å
C36	H24	sing	0.00Å	1.10Å
C36	H25	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C34	C35	127.7°	90.0°
O01	C34	N01	129.2°	90.0°
C34	C35	C36	107.7°	90.0°
C35	C34	N01	103.0°	90.0°
C34	C35	H22	109.9°	90.0°
C34	C35	H23	109.9°	90.0°
C35	C36	C37	107.9°	90.0°
C36	C35	H22	109.9°	90.0°
C36	C35	H23	109.9°	90.0°
C35	C36	H24	109.8°	90.0°
C35	C36	H25	109.9°	90.0°
C34	N01	C33	116.0°	90.0°
C34	N01	C37	110.8°	90.0°
C04	C03	C02	119.2°	90.0°
C03	C04	C05	119.2°	90.0°
C04	C03	H2	120.4°	90.0°
C03	C04	H3	120.4°	90.0°
C03	C02	C33	119.7°	90.0°
C03	C02	C01	119.1°	90.0°
C02	C03	H2	120.4°	90.0°
C04	C05	C06	122.7°	90.0°
C04	C05	N02	122.0°	90.0°
C05	C04	H3	120.4°	90.0°
C36	C37	N01	103.9°	90.0°
C36	C37	O02	126.7°	90.0°
C37	C36	H24	109.9°	90.0°
C37	C36	H25	109.8°	90.0°
C33	N01	C37	116.1°	90.0°
N01	C33	C02	113.6°	90.0°
N01	C33	H20	108.4°	90.0°
N01	C33	H21	108.4°	90.0°
N01	C37	O02	127.6°	90.0°
C33	C02	C01	121.1°	90.0°
C02	C33	H20	108.4°	90.0°
C02	C33	H21	108.4°	90.0°
C08	C07	C06	119.2°	90.0°
C07	C08	C09	119.9°	90.0°
C08	C07	H4	120.4°	90.0°
C07	C08	H5	120.0°	90.0°
C07	C06	C05	123.9°	90.0°
C07	C06	N03	120.7°	90.0°
C06	C07	H4	120.4°	90.0°
C02	C01	N02	122.0°	90.0°
C02	C01	H1	119.0°	90.0°
C08	C09	C10	118.4°	90.0°
C09	C08	H5	120.1°	90.0°
C08	C09	H6	120.8°	90.0°
C06	C05	N02	115.3°	90.0°
C05	C06	N03	115.5°	90.0°
C05	N02	C01	118.5°	90.0°
C05	N02	IR1	116.2°	90.0°
C06	N03	C10	119.9°	90.0°
C06	N03	IR1	116.5°	90.0°
C01	N02	IR1	125.3°	90.0°
N02	C01	H1	119.0°	90.0°
N02	IR1	N03	76.6°	90.0°
N02	IR1	N05	99.2°	90.0°
N02	IR1	N04	93.0°	90.0°
N02	IR1	C21	97.8°	90.0°
N02	IR1	C32	172.2°	90.0°
C09	C10	N03	122.0°	90.0°
C10	C09	H6	120.8°	90.0°
C09	C10	H7	119.0°	90.0°
C10	N03	IR1	123.7°	90.0°
N03	C10	H7	119.0°	90.0°
N03	IR1	N05	86.3°	90.0°
N03	IR1	N04	99.4°	90.0°
N03	IR1	C21	174.3°	90.0°
N03	IR1	C32	95.6°	90.0°
C22	C23	C24	119.5°	90.0°
C23	C22	N05	121.5°	90.0°
C23	C22	H14	119.3°	90.0°
C22	C23	H15	120.3°	90.0°
C23	C24	C25	119.9°	90.0°
C24	C23	H15	120.3°	90.0°
C23	C24	H16	120.0°	90.0°
C22	N05	IR1	123.6°	90.0°
C22	N05	C26	119.5°	90.0°
N05	C22	H14	119.2°	90.0°
C24	C25	C26	119.2°	90.0°
C25	C24	H16	120.1°	90.0°
C24	C25	H17	120.4°	90.0°
IR1	N05	C26	116.9°	90.0°
N05	IR1	N04	167.4°	90.0°
N05	IR1	C21	95.7°	90.0°
N05	IR1	C32	79.7°	90.0°
N05	C26	C25	120.5°	90.0°
N05	C26	C27	113.5°	90.0°
N04	IR1	C21	79.7°	90.0°
N04	IR1	C32	88.5°	90.0°
IR1	N04	C11	124.4°	90.0°
IR1	N04	C15	116.4°	90.0°
C21	IR1	C32	90.0°	90.0°
IR1	C21	C20	126.7°	90.0°
IR1	C21	C16	115.4°	90.0°
IR1	C32	C27	116.1°	90.0°
IR1	C32	C31	126.8°	90.0°
N04	C11	C12	122.9°	90.0°
C11	N04	C15	119.1°	90.0°
N04	C11	H8	118.6°	90.0°
C11	C12	C13	118.8°	90.0°
C12	C11	H8	118.5°	90.0°
C11	C12	H9	120.6°	90.0°
N04	C15	C16	113.9°	90.0°
N04	C15	C14	119.3°	90.0°
C12	C13	C14	118.7°	90.0°
C13	C12	H9	120.6°	90.0°
C12	C13	H10	120.7°	90.0°
C25	C26	C27	126.0°	90.0°
C26	C25	H17	120.4°	90.0°
C26	C27	C32	113.8°	90.0°
C26	C27	C28	124.7°	90.0°
C20	C21	C16	117.8°	90.0°
C21	C20	C19	120.7°	90.0°
C21	C20	H13	119.7°	90.0°
C21	C16	C15	114.5°	90.0°
C21	C16	C17	121.0°	90.0°
C20	C19	F03	119.3°	90.0°
C20	C19	C18	121.1°	90.0°
C19	C20	H13	119.6°	90.0°
C16	C15	C14	126.8°	90.0°
C15	C16	C17	124.5°	90.0°
C15	C14	C13	121.2°	90.0°
C15	C14	H11	119.4°	90.0°
C14	C13	H10	120.6°	90.0°
C13	C14	H11	119.4°	90.0°
C27	C32	C31	117.1°	90.0°
C32	C27	C28	121.6°	90.0°
C32	C31	C30	121.5°	90.0°
C32	C31	H19	119.3°	90.0°
C16	C17	C18	119.7°	90.0°
C16	C17	F04	121.6°	90.0°
C27	C28	F02	121.8°	90.0°
C27	C28	C29	119.2°	90.0°
F03	C19	C18	119.6°	90.0°
C19	C18	C17	119.7°	90.0°
C19	C18	H12	120.1°	90.0°
C18	C17	F04	118.6°	90.0°
C17	C18	H12	120.2°	90.0°
C31	C30	C29	120.9°	90.0°
C31	C30	F01	118.4°	90.0°
C30	C31	H19	119.3°	90.0°
F02	C28	C29	119.0°	90.0°
C28	C29	C30	119.7°	90.0°
C28	C29	H18	120.2°	90.0°
C29	C30	F01	120.6°	90.0°
C30	C29	H18	120.2°	90.0°
H20	C33	H21	109.5°	90.0°
H22	C35	H23	109.5°	90.0°
H24	C36	H25	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C34	C35	N01	175.6°	90.0°
O01	C34	C35	C36	164.7°	90.0°
O01	C34	N01	C33	22.2°	90.0°
O01	C34	N01	C37	157.4°	90.0°
O01	C34	C35	H22	75.6°	90.0°
O01	C34	C35	H23	45.0°	90.0°
C34	C35	C36	H22	119.7°	90.0°
C34	C35	C36	H23	119.7°	90.0°
C34	C35	C36	C37	6.4°	90.0°
C35	C34	N01	C33	162.3°	90.0°
C35	C34	N01	C37	27.1°	90.0°
C34	C35	H22	H23	120.8°	90.0°
C34	C35	C36	H24	126.1°	90.0°
C34	C35	C36	H25	113.4°	90.0°
C36	C35	C34	N01	19.7°	90.0°
C35	C36	C37	H24	119.7°	90.0°
C35	C36	C37	H25	119.8°	90.0°
C35	C36	C37	N01	9.8°	90.0°
C35	C36	C37	O02	175.2°	90.0°
C36	C35	H22	H23	120.8°	90.0°
C35	C36	H24	H25	120.7°	90.0°
C34	N01	C37	C36	23.4°	90.0°
C34	N01	C33	C37	132.7°	90.0°
C34	N01	C33	C02	92.1°	90.0°
C34	N01	C37	O02	171.4°	90.0°
C34	N01	C33	H20	28.6°	90.0°
C34	N01	C33	H21	147.3°	90.0°
N01	C34	C35	H22	100.0°	90.0°
N01	C34	C35	H23	139.4°	90.0°
C04	C03	C02	H2	180.0°	90.0°
C03	C04	C05	H3	180.0°	90.0°
C04	C03	C02	C33	179.9°	90.0°
C04	C03	C02	C01	0.6°	90.0°
C03	C04	C05	C06	179.9°	90.0°
C03	C04	C05	N02	0.0°	90.0°
C02	C03	C04	C05	0.1°	90.0°
C03	C02	C33	N01	87.1°	90.0°
C03	C02	C33	C01	179.3°	90.0°
C03	C02	C01	N02	1.1°	90.0°
C03	C02	C01	H1	178.9°	90.0°
C02	C03	C04	H3	179.9°	90.0°
C03	C02	C33	H20	33.5°	90.0°
C03	C02	C33	H21	152.3°	90.0°
C04	C05	C06	C07	0.2°	90.0°
C04	C05	C06	N02	179.8°	90.0°
C04	C05	C06	N03	179.6°	90.0°
C04	C05	N02	C01	0.4°	90.0°
C04	C05	N02	IR1	179.7°	90.0°
C05	C04	C03	H2	179.9°	90.0°
C36	C37	N01	C33	158.4°	90.0°
C36	C37	N01	O02	165.2°	90.0°
C37	C36	C35	H22	113.4°	90.0°
C37	C36	C35	H23	126.0°	90.0°
C37	C36	H24	H25	120.7°	90.0°
N01	C33	C02	H20	120.6°	90.0°
N01	C33	C02	H21	120.6°	90.0°
N01	C33	C02	C01	93.6°	90.0°
C33	N01	C37	O02	36.3°	90.0°
N01	C33	H20	H21	118.1°	90.0°
C37	N01	C33	C02	40.7°	90.0°
C37	N01	C33	H20	161.3°	90.0°
C37	N01	C33	H21	79.9°	90.0°
N01	C37	C36	H24	110.0°	90.0°
N01	C37	C36	H25	129.5°	90.0°
C33	C02	C01	N02	179.6°	90.0°
C33	C02	C01	H1	0.4°	90.0°
C33	C02	C03	H2	0.1°	90.0°
C02	C33	H20	H21	118.2°	90.0°
C08	C07	C06	H4	180.0°	90.0°
C07	C08	C09	H5	180.0°	90.0°
C08	C07	C06	C05	180.0°	90.0°
C08	C07	C06	N03	0.7°	90.0°
C07	C08	C09	C10	0.1°	90.0°
C07	C08	C09	H6	179.9°	90.0°
C06	C07	C08	C09	0.0°	90.0°
C07	C06	C05	N03	179.4°	90.0°
C07	C06	C05	N02	180.0°	90.0°
C07	C06	N03	C10	1.2°	90.0°
C07	C06	N03	IR1	179.6°	90.0°
C06	C07	C08	H5	180.0°	90.0°
C02	C01	N02	C05	1.0°	90.0°
C02	C01	N02	H1	180.0°	90.0°
C02	C01	N02	IR1	179.2°	90.0°
C01	C02	C03	H2	179.4°	90.0°
C01	C02	C33	H20	145.8°	90.0°
C01	C02	C33	H21	27.0°	90.0°
O02	C37	C36	H24	55.5°	90.0°
O02	C37	C36	H25	65.0°	90.0°
C08	C09	C10	H6	180.0°	90.0°
C08	C09	C10	N03	0.4°	90.0°
C09	C08	C07	H4	180.0°	90.0°
C08	C09	C10	H7	179.6°	90.0°
C06	C05	N02	C01	179.7°	90.0°
C06	C05	N02	IR1	0.1°	90.0°
C05	C06	N03	C10	179.4°	90.0°
C05	C06	N03	IR1	1.0°	90.0°
C06	C05	C04	H3	0.1°	90.0°
C05	C06	C07	H4	0.0°	90.0°
N02	C05	C06	N03	0.6°	90.0°
C05	N02	C01	IR1	179.8°	90.0°
C05	N02	IR1	N03	0.5°	90.0°
C05	N02	IR1	N05	83.5°	90.0°
C05	N02	IR1	N04	99.4°	90.0°
C05	N02	IR1	C21	179.4°	90.0°
C05	N02	IR1	C32	2.1°	90.0°
C05	N02	C01	H1	179.0°	90.0°
N02	C05	C04	H3	180.0°	90.0°
C06	N03	IR1	N02	0.8°	90.0°
C06	N03	C10	C09	1.1°	90.0°
C06	N03	C10	IR1	178.2°	90.0°
C06	N03	IR1	N05	99.5°	90.0°
C06	N03	IR1	N04	91.7°	90.0°
C06	N03	IR1	C21	11.5°	90.0°
C06	N03	IR1	C32	178.8°	90.0°
N03	C06	C07	H4	179.3°	90.0°
C06	N03	C10	H7	178.9°	90.0°
C01	N02	IR1	N03	179.3°	90.0°
C01	N02	IR1	N05	96.7°	90.0°
C01	N02	IR1	N04	80.4°	90.0°
C01	N02	IR1	C21	0.4°	90.0°
C01	N02	IR1	C32	178.1°	90.0°
N02	IR1	N03	C10	179.1°	90.0°
N02	IR1	N03	N05	100.4°	90.0°
N02	IR1	N03	N04	90.9°	90.0°
N02	IR1	N03	C21	10.7°	90.0°
N02	IR1	N03	C32	179.7°	90.0°
N02	IR1	N05	C22	8.2°	90.0°
N02	IR1	N05	N04	166.7°	90.0°
N02	IR1	N05	C21	98.9°	90.0°
N02	IR1	N05	C32	172.2°	90.0°
N02	IR1	N05	C26	172.6°	90.0°
N02	IR1	N04	C21	97.4°	90.0°
N02	IR1	N04	C32	172.3°	90.0°
N02	IR1	C21	C32	179.8°	90.0°
N02	IR1	N04	C11	84.0°	90.0°
N02	IR1	N04	C15	98.1°	90.0°
N02	IR1	C21	C20	87.2°	90.0°
N02	IR1	C21	C16	92.2°	90.0°
N02	IR1	C32	C27	82.9°	90.0°
N02	IR1	C32	C31	96.8°	90.0°
IR1	N02	C01	H1	0.8°	90.0°
C09	C10	N03	H7	180.0°	90.0°
C09	C10	N03	IR1	179.3°	90.0°
C10	C09	C08	H5	179.9°	90.0°
C10	N03	IR1	N05	78.8°	90.0°
C10	N03	IR1	N04	90.0°	90.0°
C10	N03	IR1	C21	170.2°	90.0°
C10	N03	IR1	C32	0.5°	90.0°
N03	C10	C09	H6	179.6°	90.0°
N03	IR1	N05	C22	84.0°	90.0°
N03	IR1	N05	N04	117.5°	90.0°
N03	IR1	N05	C21	174.7°	90.0°
N03	IR1	N05	C32	96.4°	90.0°
N03	IR1	N05	C26	96.9°	90.0°
N03	IR1	N04	C21	174.3°	90.0°
N03	IR1	N04	C32	95.4°	90.0°
N03	IR1	C21	C32	169.7°	90.0°
N03	IR1	N04	C11	7.1°	90.0°
N03	IR1	N04	C15	175.0°	90.0°
N03	IR1	C21	C20	97.7°	90.0°
N03	IR1	C21	C16	81.7°	90.0°
N03	IR1	C32	C27	85.4°	90.0°
N03	IR1	C32	C31	94.3°	90.0°
IR1	N03	C10	H7	0.7°	90.0°
C22	C23	C24	H15	180.0°	90.0°
C23	C22	N05	H14	180.0°	90.0°
C22	C23	C24	C25	0.4°	90.0°
C23	C22	N05	IR1	179.6°	90.0°
C23	C22	N05	C26	0.5°	90.0°
C22	C23	C24	H16	179.6°	90.0°
C24	C23	C22	N05	0.4°	90.0°
C23	C24	C25	H16	180.0°	90.0°
C23	C24	C25	C26	0.5°	90.0°
C24	C23	C22	H14	179.7°	90.0°
C23	C24	C25	H17	179.4°	90.0°
C22	N05	IR1	C26	179.1°	90.0°
C22	N05	IR1	N04	158.5°	90.0°
C22	N05	IR1	C21	90.7°	90.0°
C22	N05	IR1	C32	179.6°	90.0°
C22	N05	C26	C25	0.6°	90.0°
C22	N05	C26	C27	179.9°	90.0°
N05	C22	C23	H15	179.6°	90.0°
C24	C25	C26	N05	0.7°	90.0°
C24	C25	C26	H17	180.0°	90.0°
C24	C25	C26	C27	179.9°	90.0°
C25	C24	C23	H15	179.6°	90.0°
N05	IR1	N04	C21	69.4°	90.0°
N05	IR1	N04	C32	20.8°	90.0°
N05	IR1	C21	C32	79.7°	90.0°
N05	IR1	N04	C11	109.1°	90.0°
N05	IR1	N04	C15	68.7°	90.0°
IR1	N05	C26	C25	179.8°	90.0°
IR1	N05	C26	C27	0.7°	90.0°
N05	IR1	C21	C20	12.9°	90.0°
N05	IR1	C21	C16	167.7°	90.0°
N05	IR1	C32	C27	0.1°	90.0°
N05	IR1	C32	C31	179.5°	90.0°
IR1	N05	C22	H14	0.4°	90.0°
C26	N05	IR1	N04	20.7°	90.0°
C26	N05	IR1	C21	88.4°	90.0°
C26	N05	IR1	C32	0.5°	90.0°
N05	C26	C25	C27	179.4°	90.0°
N05	C26	C27	C32	0.6°	90.0°
N05	C26	C27	C28	179.9°	90.0°
C26	N05	C22	H14	179.6°	90.0°
N05	C26	C25	H17	179.3°	90.0°
N04	IR1	C21	C32	88.5°	90.0°
IR1	N04	C11	C15	177.8°	90.0°
IR1	N04	C11	C12	179.3°	90.0°
N04	IR1	C21	C20	178.9°	90.0°
N04	IR1	C21	C16	0.5°	90.0°
IR1	N04	C15	C16	0.8°	90.0°
IR1	N04	C15	C14	179.3°	90.0°
N04	IR1	C32	C27	175.4°	90.0°
N04	IR1	C32	C31	5.0°	90.0°
IR1	N04	C11	H8	0.7°	90.0°
C21	IR1	N04	C11	178.5°	90.0°
C21	IR1	N04	C15	0.7°	90.0°
IR1	C21	C20	C16	179.4°	90.0°
IR1	C21	C20	C19	179.8°	90.0°
IR1	C21	C16	C15	0.2°	90.0°
C21	IR1	C32	C27	95.7°	90.0°
C21	IR1	C32	C31	84.7°	90.0°
IR1	C21	C16	C17	179.5°	90.0°
IR1	C21	C20	H13	0.2°	90.0°
C32	IR1	N04	C11	88.3°	90.0°
C32	IR1	N04	C15	89.5°	90.0°
IR1	C32	C27	C26	0.2°	90.0°
C32	IR1	C21	C20	92.6°	90.0°
C32	IR1	C21	C16	88.0°	90.0°
IR1	C32	C27	C31	179.7°	90.0°
IR1	C32	C27	C28	179.5°	90.0°
IR1	C32	C31	C30	179.6°	90.0°
IR1	C32	C31	H19	0.4°	90.0°
N04	C11	C12	H8	180.0°	90.0°
N04	C11	C12	C13	0.7°	90.0°
C11	N04	C15	C16	178.7°	90.0°
C11	N04	C15	C14	1.3°	90.0°
N04	C11	C12	H9	179.3°	90.0°
C12	C11	N04	C15	1.5°	90.0°
C11	C12	C13	H9	180.0°	90.0°
C11	C12	C13	C14	0.2°	90.0°
C11	C12	C13	H10	179.8°	90.0°
N04	C15	C16	C21	0.4°	90.0°
N04	C15	C16	C14	179.9°	90.0°
N04	C15	C14	C13	0.5°	90.0°
N04	C15	C16	C17	178.9°	90.0°
C15	N04	C11	H8	178.5°	90.0°
N04	C15	C14	H11	179.6°	90.0°
C12	C13	C14	C15	0.3°	90.0°
C12	C13	C14	H10	180.0°	90.0°
C13	C12	C11	H8	179.3°	90.0°
C12	C13	C14	H11	179.6°	90.0°
C25	C26	C27	C32	179.9°	90.0°
C25	C26	C27	C28	0.7°	90.0°
C26	C25	C24	H16	179.4°	90.0°
C26	C27	C32	C28	179.3°	90.0°
C26	C27	C32	C31	179.9°	90.0°
C26	C27	C28	F02	0.3°	90.0°
C26	C27	C28	C29	179.9°	90.0°
C27	C26	C25	H17	0.1°	90.0°
C21	C20	C19	H13	180.0°	90.0°
C20	C21	C16	C15	179.2°	90.0°
C20	C21	C16	C17	0.1°	90.0°
C21	C20	C19	F03	179.9°	90.0°
C21	C20	C19	C18	0.4°	90.0°
C16	C21	C20	C19	0.5°	90.0°
C21	C16	C15	C17	179.3°	90.0°
C21	C16	C15	C14	179.7°	90.0°
C21	C16	C17	C18	0.3°	90.0°
C21	C16	C17	F04	180.0°	90.0°
C16	C21	C20	H13	179.5°	90.0°
C20	C19	F03	C18	179.6°	90.0°
C20	C19	C18	C17	0.0°	90.0°
C20	C19	C18	H12	180.0°	90.0°
C16	C15	C14	C13	179.6°	90.0°
C15	C16	C17	C18	179.6°	90.0°
C15	C16	C17	F04	0.7°	90.0°
C16	C15	C14	H11	0.3°	90.0°
C15	C14	C13	H11	180.0°	90.0°
C14	C15	C16	C17	1.0°	90.0°
C15	C14	C13	H10	179.7°	90.0°
C14	C13	C12	H9	179.8°	90.0°
C27	C32	C31	C30	0.8°	90.0°
C32	C27	C28	F02	179.5°	90.0°
C32	C27	C28	C29	0.8°	90.0°
C27	C32	C31	H19	179.2°	90.0°
C31	C32	C27	C28	0.8°	90.0°
C32	C31	C30	H19	180.0°	90.0°
C32	C31	C30	C29	0.6°	90.0°
C32	C31	C30	F01	179.9°	90.0°
C16	C17	C18	C19	0.4°	90.0°
C16	C17	C18	F04	179.7°	90.0°
C16	C17	C18	H12	179.6°	90.0°
C27	C28	F02	C29	179.7°	90.0°
C27	C28	C29	C30	0.6°	90.0°
C27	C28	C29	H18	179.4°	90.0°
F03	C19	C18	C17	179.6°	90.0°
F03	C19	C18	H12	0.4°	90.0°
F03	C19	C20	H13	0.1°	90.0°
C19	C18	C17	H12	180.0°	90.0°
C19	C18	C17	F04	179.9°	90.0°
C18	C19	C20	H13	179.6°	90.0°
F04	C17	C18	H12	0.1°	90.0°
C31	C30	C29	C28	0.5°	90.0°
C31	C30	C29	F01	179.4°	90.0°
C31	C30	C29	H18	179.5°	90.0°
F02	C28	C29	C30	179.7°	90.0°
F02	C28	C29	H18	0.3°	90.0°
C28	C29	C30	H18	180.0°	90.0°
C28	C29	C30	F01	180.0°	90.0°
C29	C30	C31	H19	179.4°	90.0°
F01	C30	C29	H18	0.0°	90.0°
F01	C30	C31	H19	0.1°	90.0°
H2	C03	C04	H3	0.1°	90.0°
H4	C07	C08	H5	0.0°	90.0°
H5	C08	C09	H6	0.1°	90.0°
H6	C09	C10	H7	0.4°	90.0°
H8	C11	C12	H9	0.7°	90.0°
H9	C12	C13	H10	0.2°	90.0°
H10	C13	C14	H11	0.4°	90.0°
H14	C22	C23	H15	0.3°	90.0°
H15	C23	C24	H16	0.4°	90.0°
H16	C24	C25	H17	0.6°	90.0°
H22	C35	C36	H24	6.4°	90.0°
H22	C35	C36	H25	126.9°	90.0°
H23	C35	C36	H24	114.2°	90.0°
H23	C35	C36	H25	6.3°	90.0°

Release date:	2023-03-15
Definition date:	2022-08-27
Last modified:	2023-03-10
Release status:	REL
Processing site:	PDBJ
Derived from:	7YLK