KKC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C37	doub	0.00Å	1.43Å
C04	C37	sing	0.00Å	1.54Å
C04	C03	sing	0.00Å	1.53Å
C37	N01	sing	0.00Å	1.50Å
C03	C02	sing	0.00Å	1.53Å
C22	C21	doub	0.00Å	1.38Å	Aromatic
C22	C23	sing	0.00Å	1.37Å	Aromatic
C21	C20	sing	0.00Å	1.39Å	Aromatic
N01	C02	sing	0.00Å	1.50Å
N01	C41	sing	0.00Å	1.52Å
C26	C28	doub	0.00Å	1.37Å	Aromatic
C26	C25	sing	0.00Å	1.40Å	Aromatic
C02	O02	doub	0.00Å	1.42Å
C41	C23	sing	0.00Å	1.54Å
C23	C24	doub	0.00Å	1.39Å	Aromatic
C28	C29	sing	0.00Å	1.38Å	Aromatic
C20	C25	sing	0.00Å	1.42Å
C20	N39	doub	0.00Å	1.33Å	Aromatic
C11	C10	doub	0.00Å	1.38Å	Aromatic
C11	C12	sing	0.00Å	1.39Å	Aromatic
C25	N40	doub	0.00Å	1.31Å	Aromatic
C10	C09	sing	0.00Å	1.38Å	Aromatic
C12	N38	doub	0.00Å	1.35Å	Aromatic
C24	N39	sing	0.00Å	1.35Å	Aromatic
C29	C30	doub	0.00Å	1.35Å	Aromatic
N39	IR2	sing	0.00Å	2.05Å
N40	C30	sing	0.00Å	1.36Å	Aromatic
N40	IR2	sing	0.00Å	2.05Å
C09	C08	doub	0.00Å	1.40Å	Aromatic
N38	C08	sing	0.00Å	1.36Å	Aromatic
N38	IR2	sing	0.00Å	2.06Å
C08	C13	sing	0.00Å	1.47Å
IR2	N37	sing	0.00Å	2.06Å
IR2	C19	sing	0.00Å	2.00Å
IR2	C07	sing	0.00Å	2.01Å
C32	N37	doub	0.00Å	1.35Å	Aromatic
C32	C31	sing	0.00Å	1.37Å	Aromatic
C13	C19	doub	0.00Å	1.42Å	Aromatic
C13	C14	sing	0.00Å	1.39Å	Aromatic
N37	C05	sing	0.00Å	1.37Å	Aromatic
F01	C14	sing	0.00Å	1.35Å
C19	C18	sing	0.00Å	1.41Å	Aromatic
C31	C27	doub	0.00Å	1.39Å	Aromatic
C14	C15	doub	0.00Å	1.38Å	Aromatic
C07	C06	doub	0.00Å	1.39Å	Aromatic
C07	C33	sing	0.00Å	1.42Å	Aromatic
C06	C36	sing	0.00Å	1.38Å	Aromatic
C18	C17	doub	0.00Å	1.37Å	Aromatic
C05	C33	sing	0.00Å	1.46Å
C05	C16	doub	0.00Å	1.40Å	Aromatic
C15	C17	sing	0.00Å	1.38Å	Aromatic
C27	C16	sing	0.00Å	1.38Å	Aromatic
C33	C34	doub	0.00Å	1.39Å	Aromatic
C17	F02	sing	0.00Å	1.36Å
C36	F04	sing	0.00Å	1.34Å
C36	C35	doub	0.00Å	1.37Å	Aromatic
C34	C35	sing	0.00Å	1.38Å	Aromatic
C34	F03	sing	0.00Å	1.35Å
C10	H1	sing	0.00Å	1.08Å
C15	H2	sing	0.00Å	1.08Å
C21	H3	sing	0.00Å	1.08Å
C22	H4	sing	0.00Å	1.08Å
C24	H5	sing	0.00Å	1.08Å
C11	H6	sing	0.00Å	1.08Å
C12	H7	sing	0.00Å	1.08Å
C16	H8	sing	0.00Å	1.08Å
C18	H9	sing	0.00Å	1.08Å
C03	H10	sing	0.00Å	1.10Å
C03	H11	sing	0.00Å	1.10Å
C04	H12	sing	0.00Å	1.10Å
C04	H13	sing	0.00Å	1.10Å
C06	H14	sing	0.00Å	1.08Å
C09	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
C29	H19	sing	0.00Å	1.08Å
C30	H20	sing	0.00Å	1.08Å
C31	H21	sing	0.00Å	1.08Å
C32	H22	sing	0.00Å	1.08Å
C35	H23	sing	0.00Å	1.08Å
C41	H24	sing	0.00Å	1.10Å
C41	H25	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C37	C04	127.4°	90.0°
O01	C37	N01	127.4°	90.0°
C37	C04	C03	105.9°	90.0°
C04	C37	N01	103.6°	90.0°
C37	C04	H12	110.4°	90.0°
C37	C04	H13	110.4°	90.0°
C04	C03	C02	106.2°	90.0°
C04	C03	H10	110.3°	90.0°
C04	C03	H11	110.3°	90.0°
C03	C04	H12	110.4°	90.0°
C03	C04	H13	110.3°	90.0°
C37	N01	C02	112.4°	90.0°
C37	N01	C41	118.5°	90.0°
C03	C02	N01	100.1°	90.0°
C03	C02	O02	125.6°	90.0°
C02	C03	H10	110.3°	90.0°
C02	C03	H11	110.3°	90.0°
C21	C22	C23	119.6°	90.0°
C22	C21	C20	120.0°	90.0°
C22	C21	H3	120.0°	90.0°
C21	C22	H4	120.2°	90.0°
C22	C23	C41	120.2°	90.0°
C22	C23	C24	117.5°	90.0°
C23	C22	H4	120.2°	90.0°
C21	C20	C25	124.3°	90.0°
C21	C20	N39	121.1°	90.0°
C20	C21	H3	120.0°	90.0°
C02	N01	C41	119.7°	90.0°
N01	C02	O02	125.9°	90.0°
N01	C41	C23	113.7°	90.0°
N01	C41	H24	108.4°	90.0°
N01	C41	H25	108.4°	90.0°
C28	C26	C25	118.8°	90.0°
C26	C28	C29	119.8°	90.0°
C28	C26	H16	120.6°	90.0°
C26	C28	H18	120.1°	90.0°
C26	C25	C20	122.6°	90.0°
C26	C25	N40	121.1°	90.0°
C25	C26	H16	120.6°	90.0°
C41	C23	C24	122.3°	90.0°
C23	C41	H24	108.4°	90.0°
C23	C41	H25	108.4°	90.0°
C23	C24	N39	123.2°	90.0°
C23	C24	H5	118.4°	90.0°
C28	C29	C30	118.2°	90.0°
C29	C28	H18	120.1°	90.0°
C28	C29	H19	120.9°	90.0°
C25	C20	N39	114.6°	90.0°
C20	C25	N40	116.3°	90.0°
C20	N39	C24	118.6°	90.0°
C20	N39	IR2	116.2°	90.0°
C10	C11	C12	118.2°	90.0°
C11	C10	C09	120.2°	90.0°
C11	C10	H1	119.9°	90.0°
C10	C11	H6	120.9°	90.0°
C11	C12	N38	121.8°	90.0°
C12	C11	H6	120.9°	90.0°
C11	C12	H7	119.1°	90.0°
C25	N40	C30	119.5°	90.0°
C25	N40	IR2	116.0°	90.0°
C10	C09	C08	120.2°	90.0°
C09	C10	H1	119.9°	90.0°
C10	C09	H15	119.9°	90.0°
C12	N38	C08	120.8°	90.0°
C12	N38	IR2	123.3°	90.0°
N38	C12	H7	119.1°	90.0°
C24	N39	IR2	125.2°	90.0°
N39	C24	H5	118.4°	90.0°
C29	C30	N40	122.7°	90.0°
C30	C29	H19	120.9°	90.0°
C29	C30	H20	118.7°	90.0°
N39	IR2	N40	76.9°	90.0°
N39	IR2	N38	81.1°	90.0°
N39	IR2	N37	99.2°	90.0°
N39	IR2	C19	94.7°	90.0°
N39	IR2	C07	177.5°	90.0°
C30	N40	IR2	124.6°	90.0°
N40	C30	H20	118.7°	90.0°
N40	IR2	N38	100.1°	90.0°
N40	IR2	N37	86.3°	90.0°
N40	IR2	C19	171.3°	90.0°
N40	IR2	C07	100.8°	90.0°
C09	C08	N38	118.8°	90.0°
C09	C08	C13	127.6°	90.0°
C08	C09	H15	119.9°	90.0°
C08	N38	IR2	115.9°	90.0°
N38	C08	C13	113.6°	90.0°
N38	IR2	N37	173.5°	90.0°
N38	IR2	C19	80.8°	90.0°
N38	IR2	C07	100.2°	90.0°
C08	C13	C19	115.8°	90.0°
C08	C13	C14	126.6°	90.0°
N37	IR2	C19	92.7°	90.0°
N37	IR2	C07	79.7°	90.0°
IR2	N37	C32	125.5°	90.0°
IR2	N37	C05	117.0°	90.0°
C19	IR2	C07	87.5°	90.0°
IR2	C19	C13	113.9°	90.0°
IR2	C19	C18	127.1°	90.0°
IR2	C07	C06	127.0°	90.0°
IR2	C07	C33	115.3°	90.0°
N37	C32	C31	124.0°	90.0°
C32	N37	C05	117.5°	90.0°
N37	C32	H22	118.0°	90.0°
C32	C31	C27	118.6°	90.0°
C32	C31	H21	120.7°	90.0°
C31	C32	H22	118.0°	90.0°
C19	C13	C14	117.6°	90.0°
C13	C19	C18	119.0°	90.0°
C13	C14	F01	120.8°	90.0°
C13	C14	C15	123.8°	90.0°
N37	C05	C33	112.9°	90.0°
N37	C05	C16	120.5°	90.0°
F01	C14	C15	115.4°	90.0°
C19	C18	C17	119.8°	90.0°
C19	C18	H9	120.1°	90.0°
C31	C27	C16	118.7°	90.0°
C31	C27	H17	120.7°	90.0°
C27	C31	H21	120.7°	90.0°
C14	C15	C17	117.0°	90.0°
C14	C15	H2	121.5°	90.0°
C06	C07	C33	117.6°	90.0°
C07	C06	C36	119.3°	90.0°
C07	C06	H14	120.3°	90.0°
C07	C33	C05	115.1°	90.0°
C07	C33	C34	119.7°	90.0°
C06	C36	F04	117.0°	90.0°
C06	C36	C35	125.3°	90.0°
C36	C06	H14	120.3°	90.0°
C18	C17	C15	122.7°	90.0°
C18	C17	F02	120.0°	90.0°
C17	C18	H9	120.1°	90.0°
C33	C05	C16	126.6°	90.0°
C05	C33	C34	125.2°	90.0°
C05	C16	C27	120.6°	90.0°
C05	C16	H8	119.7°	90.0°
C15	C17	F02	117.2°	90.0°
C17	C15	H2	121.5°	90.0°
C27	C16	H8	119.7°	90.0°
C16	C27	H17	120.6°	90.0°
C33	C34	C35	122.6°	90.0°
C33	C34	F03	120.9°	90.0°
F04	C36	C35	117.7°	90.0°
C36	C35	C34	115.5°	90.0°
C36	C35	H23	122.3°	90.0°
C35	C34	F03	116.5°	90.0°
C34	C35	H23	122.3°	90.0°
H10	C03	H11	109.5°	90.0°
H12	C04	H13	109.5°	90.0°
H24	C41	H25	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C37	C04	N01	166.3°	90.0°
O01	C37	C04	C03	154.6°	90.0°
O01	C37	N01	C02	177.0°	90.0°
O01	C37	N01	C41	36.6°	90.0°
O01	C37	C04	H12	35.2°	90.0°
O01	C37	C04	H13	85.9°	90.0°
C37	C04	C03	H12	119.4°	90.0°
C37	C04	C03	H13	119.5°	90.0°
C37	C04	C03	C02	29.5°	90.0°
C04	C37	N01	C02	10.7°	90.0°
C04	C37	N01	C41	157.1°	90.0°
C37	C04	C03	H10	90.0°	90.0°
C37	C04	C03	H11	149.0°	90.0°
C37	C04	H12	H13	121.7°	90.0°
C03	C04	C37	N01	11.7°	90.0°
C04	C03	C02	H10	119.5°	90.0°
C04	C03	C02	H11	119.5°	90.0°
C04	C03	C02	N01	34.1°	90.0°
C04	C03	C02	O02	176.6°	90.0°
C04	C03	H10	H11	121.5°	90.0°
C03	C04	H12	H13	121.6°	90.0°
C37	N01	C02	C03	27.9°	90.0°
C37	N01	C02	C41	146.0°	90.0°
C37	N01	C02	O02	177.1°	90.0°
C37	N01	C41	C23	102.2°	90.0°
N01	C37	C04	H12	131.1°	90.0°
N01	C37	C04	H13	107.8°	90.0°
C37	N01	C41	H24	18.4°	90.0°
C37	N01	C41	H25	137.1°	90.0°
C03	C02	N01	O02	149.2°	90.0°
C03	C02	N01	C41	173.9°	90.0°
C02	C03	H10	H11	121.5°	90.0°
C02	C03	C04	H12	148.9°	90.0°
C02	C03	C04	H13	90.0°	90.0°
C21	C22	C23	H4	180.0°	90.0°
C22	C21	C20	H3	180.0°	90.0°
C21	C22	C23	C41	179.5°	90.0°
C21	C22	C23	C24	1.2°	90.0°
C22	C21	C20	C25	179.9°	90.0°
C22	C21	C20	N39	0.7°	90.0°
C23	C22	C21	C20	0.5°	90.0°
C22	C23	C41	N01	92.0°	90.0°
C22	C23	C41	C24	178.2°	90.0°
C22	C23	C24	N39	0.8°	90.0°
C23	C22	C21	H3	179.5°	90.0°
C22	C23	C24	H5	179.2°	90.0°
C22	C23	C41	H24	28.7°	90.0°
C22	C23	C41	H25	147.4°	90.0°
C21	C20	C25	C26	0.0°	90.0°
C21	C20	C25	N39	179.4°	90.0°
C21	C20	C25	N40	179.3°	90.0°
C21	C20	N39	C24	1.2°	90.0°
C21	C20	N39	IR2	179.3°	90.0°
C20	C21	C22	H4	179.5°	90.0°
C02	N01	C41	C23	41.7°	90.0°
N01	C02	C03	H10	85.4°	90.0°
N01	C02	C03	H11	153.6°	90.0°
C02	N01	C41	H24	162.3°	90.0°
C02	N01	C41	H25	78.9°	90.0°
C41	N01	C02	O02	36.9°	90.0°
N01	C41	C23	H24	120.7°	90.0°
N01	C41	C23	H25	120.6°	90.0°
N01	C41	C23	C24	89.8°	90.0°
N01	C41	H24	H25	118.1°	90.0°
C28	C26	C25	H16	180.0°	90.0°
C26	C28	C29	H18	180.0°	90.0°
C28	C26	C25	C20	179.9°	90.0°
C28	C26	C25	N40	0.6°	90.0°
C26	C28	C29	C30	0.1°	90.0°
C26	C28	C29	H19	179.9°	90.0°
C25	C26	C28	C29	0.1°	90.0°
C26	C25	C20	N40	179.3°	90.0°
C26	C25	C20	N39	179.4°	90.0°
C26	C25	N40	C30	1.4°	90.0°
C26	C25	N40	IR2	180.0°	90.0°
C25	C26	C28	H18	179.9°	90.0°
O02	C02	C03	H10	63.9°	90.0°
O02	C02	C03	H11	57.1°	90.0°
C41	C23	C24	N39	179.0°	90.0°
C41	C23	C22	H4	0.5°	90.0°
C41	C23	C24	H5	0.9°	90.0°
C23	C41	H24	H25	118.0°	90.0°
C23	C24	N39	C20	0.4°	90.0°
C23	C24	N39	H5	180.0°	90.0°
C23	C24	N39	IR2	178.3°	90.0°
C24	C23	C22	H4	178.8°	90.0°
C24	C23	C41	H24	149.5°	90.0°
C24	C23	C41	H25	30.8°	90.0°
C28	C29	C30	H19	180.0°	90.0°
C28	C29	C30	N40	1.0°	90.0°
C29	C28	C26	H16	179.9°	90.0°
C28	C29	C30	H20	179.0°	90.0°
C25	C20	N39	C24	179.4°	90.0°
C25	C20	N39	IR2	1.3°	90.0°
C20	C25	N40	C30	179.2°	90.0°
C20	C25	N40	IR2	0.6°	90.0°
C25	C20	C21	H3	0.1°	90.0°
C20	C25	C26	H16	0.1°	90.0°
N39	C20	C25	N40	1.3°	90.0°
C20	N39	C24	IR2	177.9°	90.0°
C20	N39	IR2	N40	0.8°	90.0°
C20	N39	IR2	N38	101.8°	90.0°
C20	N39	IR2	N37	84.8°	90.0°
C20	N39	IR2	C19	178.3°	90.0°
C20	N39	IR2	C07	21.7°	90.0°
N39	C20	C21	H3	179.3°	90.0°
C20	N39	C24	H5	179.6°	90.0°
C10	C11	C12	H6	180.0°	90.0°
C11	C10	C09	H1	180.0°	90.0°
C10	C11	C12	N38	0.1°	90.0°
C11	C10	C09	C08	0.0°	90.0°
C10	C11	C12	H7	179.9°	90.0°
C11	C10	C09	H15	180.0°	90.0°
C12	C11	C10	C09	0.0°	90.0°
C11	C12	N38	H7	180.0°	90.0°
C11	C12	N38	C08	0.3°	90.0°
C11	C12	N38	IR2	179.8°	90.0°
C12	C11	C10	H1	180.0°	90.0°
C25	N40	C30	C29	1.7°	90.0°
C25	N40	IR2	N39	0.1°	90.0°
C25	N40	C30	IR2	178.5°	90.0°
C25	N40	IR2	N38	78.3°	90.0°
C25	N40	IR2	N37	100.4°	90.0°
C25	N40	IR2	C19	16.8°	90.0°
C25	N40	IR2	C07	179.2°	90.0°
N40	C25	C26	H16	179.4°	90.0°
C25	N40	C30	H20	178.4°	90.0°
C10	C09	C08	H15	180.0°	90.0°
C10	C09	C08	N38	0.2°	90.0°
C10	C09	C08	C13	179.9°	90.0°
C09	C10	C11	H6	180.0°	90.0°
C12	N38	IR2	N39	83.5°	90.0°
C12	N38	IR2	N40	8.6°	90.0°
C12	N38	C08	C09	0.3°	90.0°
C12	N38	C08	IR2	179.9°	90.0°
C12	N38	C08	C13	180.0°	90.0°
C12	N38	IR2	N37	177.1°	90.0°
C12	N38	IR2	C19	179.8°	90.0°
C12	N38	IR2	C07	94.4°	90.0°
N38	C12	C11	H6	179.9°	90.0°
C24	N39	IR2	N40	178.7°	90.0°
C24	N39	IR2	N38	76.1°	90.0°
C24	N39	IR2	N37	97.3°	90.0°
C24	N39	IR2	C19	3.8°	90.0°
C24	N39	IR2	C07	160.4°	90.0°
C29	C30	N40	H20	180.0°	90.0°
C29	C30	N40	IR2	179.8°	90.0°
C30	C29	C28	H18	179.9°	90.0°
N39	IR2	N40	C30	178.5°	90.0°
N39	IR2	N40	N38	78.4°	90.0°
N39	IR2	N40	N37	100.4°	90.0°
N39	IR2	N40	C19	16.8°	90.0°
N39	IR2	N40	C07	179.1°	90.0°
N39	IR2	N38	C08	96.4°	90.0°
N39	IR2	N38	N37	93.7°	90.0°
N39	IR2	N38	C19	96.3°	90.0°
N39	IR2	N38	C07	177.9°	90.0°
N39	IR2	N37	C19	95.2°	90.0°
N39	IR2	N37	C07	177.7°	90.0°
N39	IR2	C19	C07	179.0°	90.0°
N39	IR2	N37	C32	2.4°	90.0°
N39	IR2	C19	C13	80.5°	90.0°
N39	IR2	N37	C05	178.5°	90.0°
N39	IR2	C19	C18	99.9°	90.0°
N39	IR2	C07	C06	117.0°	90.0°
N39	IR2	C07	C33	64.3°	90.0°
IR2	N39	C24	H5	1.7°	90.0°
C30	N40	IR2	N38	103.2°	90.0°
C30	N40	IR2	N37	78.1°	90.0°
C30	N40	IR2	C19	161.7°	90.0°
C30	N40	IR2	C07	0.6°	90.0°
N40	C30	C29	H19	179.0°	90.0°
N40	IR2	N38	C08	171.3°	90.0°
N40	IR2	N38	N37	168.6°	90.0°
N40	IR2	N38	C19	171.2°	90.0°
N40	IR2	N38	C07	103.0°	90.0°
N40	IR2	N37	C19	171.3°	90.0°
N40	IR2	N37	C07	101.7°	90.0°
N40	IR2	C19	C07	162.6°	90.0°
N40	IR2	N37	C32	78.5°	90.0°
N40	IR2	C19	C13	96.9°	90.0°
N40	IR2	N37	C05	102.4°	90.0°
N40	IR2	C19	C18	83.5°	90.0°
N40	IR2	C07	C06	96.3°	90.0°
N40	IR2	C07	C33	85.0°	90.0°
IR2	N40	C30	H20	0.1°	90.0°
C09	C08	N38	C13	179.7°	90.0°
C09	C08	N38	IR2	179.8°	90.0°
C09	C08	C13	C19	179.9°	90.0°
C09	C08	C13	C14	0.3°	90.0°
C08	C09	C10	H1	180.0°	90.0°
C08	N38	IR2	N37	2.8°	90.0°
C08	N38	IR2	C19	0.1°	90.0°
C08	N38	IR2	C07	85.7°	90.0°
N38	C08	C13	C19	0.3°	90.0°
N38	C08	C13	C14	180.0°	90.0°
C08	N38	C12	H7	179.7°	90.0°
N38	C08	C09	H15	179.8°	90.0°
IR2	N38	C08	C13	0.1°	90.0°
N38	IR2	N37	C19	2.6°	90.0°
N38	IR2	N37	C07	89.6°	90.0°
N38	IR2	C19	C07	100.8°	90.0°
N38	IR2	N37	C32	90.2°	90.0°
N38	IR2	C19	C13	0.3°	90.0°
N38	IR2	N37	C05	88.9°	90.0°
N38	IR2	C19	C18	179.9°	90.0°
N38	IR2	C07	C06	6.1°	90.0°
N38	IR2	C07	C33	172.5°	90.0°
IR2	N38	C12	H7	0.2°	90.0°
C08	C13	C19	IR2	0.4°	90.0°
C08	C13	C19	C14	179.7°	90.0°
C08	C13	C14	F01	0.7°	90.0°
C08	C13	C19	C18	179.9°	90.0°
C08	C13	C14	C15	179.7°	90.0°
C13	C08	C09	H15	0.1°	90.0°
N37	IR2	C19	C07	79.5°	90.0°
IR2	N37	C32	C05	179.1°	90.0°
IR2	N37	C32	C31	179.8°	90.0°
N37	IR2	C19	C13	180.0°	90.0°
N37	IR2	C19	C18	0.4°	90.0°
N37	IR2	C07	C06	179.5°	90.0°
N37	IR2	C07	C33	0.8°	90.0°
IR2	N37	C05	C33	0.5°	90.0°
IR2	N37	C05	C16	179.7°	90.0°
IR2	N37	C32	H22	0.2°	90.0°
C19	IR2	N37	C32	92.9°	90.0°
IR2	C19	C13	C18	179.6°	90.0°
IR2	C19	C13	C14	179.9°	90.0°
C19	IR2	N37	C05	86.2°	90.0°
C19	IR2	C07	C06	86.3°	90.0°
C19	IR2	C07	C33	92.3°	90.0°
IR2	C19	C18	C17	179.9°	90.0°
IR2	C19	C18	H9	0.1°	90.0°
C07	IR2	N37	C32	179.9°	90.0°
C07	IR2	C19	C13	100.5°	90.0°
C07	IR2	N37	C05	0.8°	90.0°
C07	IR2	C19	C18	79.1°	90.0°
IR2	C07	C06	C33	178.6°	90.0°
IR2	C07	C06	C36	179.1°	90.0°
IR2	C07	C33	C05	0.8°	90.0°
IR2	C07	C33	C34	179.3°	90.0°
IR2	C07	C06	H14	0.9°	90.0°
N37	C32	C31	H22	180.0°	90.0°
N37	C32	C31	C27	0.6°	90.0°
C32	N37	C05	C33	179.7°	90.0°
C32	N37	C05	C16	0.5°	90.0°
N37	C32	C31	H21	179.4°	90.0°
C31	C32	N37	C05	0.7°	90.0°
C32	C31	C27	H21	180.0°	90.0°
C32	C31	C27	C16	0.4°	90.0°
C32	C31	C27	H17	179.6°	90.0°
C19	C13	C14	F01	179.7°	90.0°
C19	C13	C14	C15	0.1°	90.0°
C13	C19	C18	C17	0.3°	90.0°
C13	C19	C18	H9	179.7°	90.0°
C13	C14	F01	C15	179.6°	90.0°
C14	C13	C19	C18	0.2°	90.0°
C13	C14	C15	C17	0.0°	90.0°
C13	C14	C15	H2	180.0°	90.0°
N37	C05	C33	C07	0.2°	90.0°
N37	C05	C33	C16	179.8°	90.0°
N37	C05	C16	C27	0.3°	90.0°
N37	C05	C33	C34	180.0°	90.0°
N37	C05	C16	H8	179.7°	90.0°
C05	N37	C32	H22	179.3°	90.0°
F01	C14	C15	C17	179.6°	90.0°
F01	C14	C15	H2	0.4°	90.0°
C19	C18	C17	H9	180.0°	90.0°
C19	C18	C17	C15	0.2°	90.0°
C19	C18	C17	F02	179.7°	90.0°
C31	C27	C16	C05	0.2°	90.0°
C31	C27	C16	H17	180.0°	90.0°
C31	C27	C16	H8	179.8°	90.0°
C27	C31	C32	H22	179.4°	90.0°
C14	C15	C17	C18	0.0°	90.0°
C14	C15	C17	H2	180.0°	90.0°
C14	C15	C17	F02	179.9°	90.0°
C07	C06	C36	H14	180.0°	90.0°
C06	C07	C33	C05	179.6°	90.0°
C06	C07	C33	C34	0.5°	90.0°
C07	C06	C36	F04	180.0°	90.0°
C07	C06	C36	C35	0.1°	90.0°
C33	C07	C06	C36	0.5°	90.0°
C07	C33	C05	C34	179.8°	90.0°
C07	C33	C05	C16	179.6°	90.0°
C07	C33	C34	C35	0.3°	90.0°
C07	C33	C34	F03	179.4°	90.0°
C33	C07	C06	H14	179.5°	90.0°
C06	C36	F04	C35	179.9°	90.0°
C06	C36	C35	C34	0.2°	90.0°
C06	C36	C35	H23	179.8°	90.0°
C18	C17	C15	F02	179.9°	90.0°
C18	C17	C15	H2	180.0°	90.0°
C33	C05	C16	C27	179.9°	90.0°
C05	C33	C34	C35	179.9°	90.0°
C05	C33	C34	F03	0.4°	90.0°
C33	C05	C16	H8	0.0°	90.0°
C05	C16	C27	H8	180.0°	90.0°
C16	C05	C33	C34	0.3°	90.0°
C05	C16	C27	H17	179.7°	90.0°
C15	C17	C18	H9	179.8°	90.0°
C16	C27	C31	H21	179.6°	90.0°
C33	C34	C35	C36	0.1°	90.0°
C33	C34	C35	F03	179.7°	90.0°
C33	C34	C35	H23	179.9°	90.0°
F02	C17	C15	H2	0.1°	90.0°
F02	C17	C18	H9	0.3°	90.0°
F04	C36	C35	C34	179.7°	90.0°
F04	C36	C06	H14	0.0°	90.0°
F04	C36	C35	H23	0.3°	90.0°
C36	C35	C34	H23	180.0°	90.0°
C36	C35	C34	F03	179.8°	90.0°
C35	C36	C06	H14	179.9°	90.0°
F03	C34	C35	H23	0.2°	90.0°
H1	C10	C11	H6	0.0°	90.0°
H1	C10	C09	H15	0.0°	90.0°
H3	C21	C22	H4	0.5°	90.0°
H6	C11	C12	H7	0.1°	90.0°
H8	C16	C27	H17	0.3°	90.0°
H10	C03	C04	H12	29.4°	90.0°
H10	C03	C04	H13	150.5°	90.0°
H11	C03	C04	H12	91.6°	90.0°
H11	C03	C04	H13	29.5°	90.0°
H16	C26	C28	H18	0.1°	90.0°
H17	C27	C31	H21	0.4°	90.0°
H18	C28	C29	H19	0.1°	90.0°
H19	C29	C30	H20	0.9°	90.0°
H21	C31	C32	H22	0.6°	90.0°

Release date:	2023-03-15
Definition date:	2022-09-23
Last modified:	2023-03-10
Release status:	REL
Processing site:	PDBJ
Derived from:	7YLK