A1JK4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O23	C22	sing	0.00Å	1.42Å
N31	C30	sing	0.00Å	1.34Å
N29	C30	doub	0.00Å	1.35Å	Aromatic
N29	C28	sing	0.00Å	1.34Å	Aromatic
C30	C32	sing	0.00Å	1.41Å	Aromatic
C28	N27	doub	0.00Å	1.34Å	Aromatic
C32	N33	sing	0.00Å	1.39Å	Aromatic
C32	C26	doub	0.00Å	1.39Å	Aromatic
N27	C26	sing	0.00Å	1.34Å	Aromatic
N33	C34	doub	0.00Å	1.31Å	Aromatic
C26	N25	sing	0.00Å	1.37Å	Aromatic
C22	C24	sing	0.00Å	1.53Å
C22	C20	sing	0.00Å	1.53Å
C34	N25	sing	0.00Å	1.37Å	Aromatic
N25	C24	sing	0.00Å	1.46Å
C24	O35	sing	0.00Å	1.41Å
O21	C20	sing	0.00Å	1.42Å
C20	C19	sing	0.00Å	1.53Å
O35	C19	sing	0.00Å	1.45Å
C19	C18	sing	0.00Å	1.51Å
C18	O17	sing	0.00Å	1.44Å
O37	P16	doub	0.00Å	1.48Å
O17	P16	sing	0.00Å	1.59Å
P16	O36	sing	0.00Å	1.48Å
P16	O15	sing	0.00Å	1.60Å
O15	P14	sing	0.00Å	1.60Å
O38	P14	doub	0.00Å	1.48Å
P14	O13	sing	0.00Å	1.59Å
P14	O39	sing	0.00Å	1.48Å
O13	C12	sing	0.00Å	1.44Å
C12	C11	sing	0.00Å	1.51Å
C11	O40	sing	0.00Å	1.44Å
C11	C9	sing	0.00Å	1.52Å
C52	C53	sing	0.00Å	1.52Å
C52	C51	sing	0.00Å	1.52Å
O40	C41	sing	0.00Å	1.42Å
C50	C49	sing	0.00Å	1.52Å
C50	C51	sing	0.00Å	1.52Å
C54	C53	sing	0.00Å	1.52Å
C54	C55	sing	0.00Å	1.52Å
C49	C48	sing	0.00Å	1.52Å
C9	C8	sing	0.00Å	1.53Å
C9	O10	sing	0.00Å	1.42Å
C41	C8	sing	0.00Å	1.54Å
C41	N42	sing	0.00Å	1.46Å
C8	O7	sing	0.00Å	1.42Å
C46	C47	sing	0.00Å	1.52Å
C46	C45	sing	0.00Å	1.52Å
C48	C47	sing	0.00Å	1.52Å
C44	C45	sing	0.00Å	1.53Å
C44	C43	sing	0.00Å	1.50Å
N42	C43	sing	0.00Å	1.36Å	Aromatic
N42	N60	sing	0.00Å	1.33Å	Aromatic
C43	C56	doub	0.00Å	1.36Å	Aromatic
N60	N57	doub	0.00Å	1.32Å	Aromatic
C56	N57	sing	0.00Å	1.34Å	Aromatic
N57	C58	sing	0.00Å	1.47Å
C58	C59	sing	0.00Å	1.52Å
C24	H1	sing	0.00Å	1.10Å
C28	H2	sing	0.00Å	1.08Å
C8	H3	sing	0.00Å	1.10Å
C9	H4	sing	0.00Å	1.10Å
O10	H5	sing	0.00Å	0.95Å
C12	H6	sing	0.00Å	1.10Å
C12	H7	sing	0.00Å	1.10Å
C18	H8	sing	0.00Å	1.10Å
C18	H9	sing	0.00Å	1.10Å
C11	H10	sing	0.00Å	1.10Å
C19	H11	sing	0.00Å	1.10Å
C20	H12	sing	0.00Å	1.10Å
C22	H13	sing	0.00Å	1.10Å
C34	H14	sing	0.00Å	1.08Å
C41	H15	sing	0.00Å	1.10Å
C44	H16	sing	0.00Å	1.10Å
C44	H17	sing	0.00Å	1.10Å
C45	H18	sing	0.00Å	1.10Å
C45	H19	sing	0.00Å	1.10Å
C46	H20	sing	0.00Å	1.10Å
C46	H21	sing	0.00Å	1.10Å
C47	H22	sing	0.00Å	1.10Å
C47	H23	sing	0.00Å	1.10Å
C48	H24	sing	0.00Å	1.10Å
C48	H25	sing	0.00Å	1.10Å
C49	H26	sing	0.00Å	1.10Å
C49	H27	sing	0.00Å	1.10Å
C50	H28	sing	0.00Å	1.10Å
C50	H29	sing	0.00Å	1.10Å
C51	H30	sing	0.00Å	1.10Å
C51	H31	sing	0.00Å	1.10Å
C52	H32	sing	0.00Å	1.10Å
C52	H33	sing	0.00Å	1.10Å
C53	H34	sing	0.00Å	1.10Å
C53	H35	sing	0.00Å	1.10Å
C54	H36	sing	0.00Å	1.10Å
C54	H37	sing	0.00Å	1.10Å
C55	H38	sing	0.00Å	1.10Å
C55	H39	sing	0.00Å	1.10Å
C55	H40	sing	0.00Å	1.10Å
C56	H41	sing	0.00Å	1.08Å
C58	H42	sing	0.00Å	1.10Å
C58	H43	sing	0.00Å	1.10Å
C59	H44	sing	0.00Å	1.10Å
C59	H45	sing	0.00Å	1.10Å
C59	H46	sing	0.00Å	1.10Å
N31	H47	sing	0.00Å	1.00Å
N31	H48	sing	0.00Å	1.00Å
O21	H49	sing	0.00Å	0.95Å
O23	H50	sing	0.00Å	0.95Å
O36	H51	sing	0.00Å	0.95Å
O39	H52	sing	0.00Å	0.95Å
O7	H53	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O23	C22	C24	110.5°	90.0°
O23	C22	C20	111.1°	90.0°
O23	C22	H13	112.4°	90.0°
C22	O23	H50	109.5°	90.0°
N31	C30	N29	118.5°	90.0°
N31	C30	C32	123.7°	90.0°
C30	N31	H47	109.5°	90.0°
C30	N31	H48	109.5°	90.0°
C30	N29	C28	118.7°	90.0°
N29	C30	C32	117.7°	90.0°
N29	C28	N27	128.8°	90.0°
N29	C28	H2	115.6°	90.0°
C30	C32	N33	132.5°	90.0°
C30	C32	C26	116.8°	90.0°
C28	N27	C26	111.2°	90.0°
N27	C28	H2	115.6°	90.0°
N33	C32	C26	110.7°	90.0°
C32	N33	C34	103.8°	90.0°
C32	C26	N27	126.8°	90.0°
C32	C26	N25	105.7°	90.0°
N27	C26	N25	127.5°	90.0°
N33	C34	N25	114.0°	90.0°
N33	C34	H14	123.0°	90.0°
C26	N25	C34	105.8°	90.0°
C26	N25	C24	126.1°	90.0°
C24	C22	C20	100.8°	90.0°
C22	C24	N25	115.7°	90.0°
C22	C24	O35	105.8°	90.0°
C22	C24	H1	108.5°	90.0°
C24	C22	H13	110.8°	90.0°
C22	C20	O21	112.0°	90.0°
C22	C20	C19	102.9°	90.0°
C22	C20	H12	110.1°	90.0°
C20	C22	H13	110.7°	90.0°
C34	N25	C24	127.5°	90.0°
N25	C34	H14	123.0°	90.0°
N25	C24	O35	107.4°	90.0°
N25	C24	H1	109.4°	90.0°
C24	O35	C19	109.8°	90.0°
O35	C24	H1	110.0°	90.0°
O21	C20	C19	109.5°	90.0°
O21	C20	H12	111.7°	90.0°
C20	O21	H49	109.5°	90.0°
C20	C19	O35	106.3°	90.0°
C20	C19	C18	115.3°	90.0°
C20	C19	H11	108.0°	90.0°
C19	C20	H12	110.2°	90.0°
O35	C19	C18	109.9°	90.0°
O35	C19	H11	109.0°	90.0°
C19	C18	O17	106.9°	90.0°
C19	C18	H8	110.1°	90.0°
C19	C18	H9	110.1°	90.0°
C18	C19	H11	108.2°	90.0°
C18	O17	P16	121.6°	90.0°
O17	C18	H8	110.1°	90.0°
O17	C18	H9	110.1°	90.0°
O37	P16	O17	109.1°	90.0°
O37	P16	O36	119.5°	90.0°
O37	P16	O15	108.5°	90.0°
O17	P16	O36	107.7°	90.0°
O17	P16	O15	101.3°	90.0°
O36	P16	O15	109.3°	90.0°
P16	O36	H51	109.5°	90.0°
P16	O15	P14	134.2°	90.0°
O15	P14	O38	109.7°	90.0°
O15	P14	O13	100.8°	90.0°
O15	P14	O39	108.6°	90.0°
O38	P14	O13	107.9°	90.0°
O38	P14	O39	118.7°	90.0°
O13	P14	O39	109.7°	90.0°
P14	O13	C12	122.5°	90.0°
P14	O39	H52	109.5°	90.0°
O13	C12	C11	106.5°	90.0°
O13	C12	H6	110.2°	90.0°
O13	C12	H7	110.2°	90.0°
C12	C11	O40	110.5°	90.0°
C12	C11	C9	115.0°	90.0°
C11	C12	H6	110.2°	90.0°
C11	C12	H7	110.2°	90.0°
C12	C11	H10	108.4°	90.0°
O40	C11	C9	105.4°	90.0°
C11	O40	C41	110.0°	90.0°
O40	C11	H10	109.3°	90.0°
C11	C9	C8	103.0°	90.0°
C11	C9	O10	111.3°	90.0°
C11	C9	H4	109.3°	90.0°
C9	C11	H10	108.2°	90.0°
C53	C52	C51	113.6°	90.0°
C52	C53	C54	114.2°	90.0°
C53	C52	H32	108.4°	90.0°
C53	C52	H33	108.5°	90.0°
C52	C53	H34	108.3°	90.0°
C52	C53	H35	108.3°	90.0°
C52	C51	C50	114.4°	90.0°
C52	C51	H30	108.2°	90.0°
C52	C51	H31	108.2°	90.0°
C51	C52	H32	108.4°	90.0°
C51	C52	H33	108.4°	90.0°
O40	C41	C8	108.0°	90.0°
O40	C41	N42	109.3°	90.0°
O40	C41	H15	109.5°	90.0°
C49	C50	C51	114.4°	90.0°
C50	C49	C48	113.4°	90.0°
C50	C49	H26	108.5°	90.0°
C50	C49	H27	108.5°	90.0°
C49	C50	H28	108.2°	90.0°
C49	C50	H29	108.2°	90.0°
C51	C50	H28	108.2°	90.0°
C51	C50	H29	108.2°	90.0°
C50	C51	H30	108.2°	90.0°
C50	C51	H31	108.2°	90.0°
C53	C54	C55	112.8°	90.0°
C54	C53	H34	108.3°	90.0°
C54	C53	H35	108.3°	90.0°
C53	C54	H36	108.6°	90.0°
C53	C54	H37	108.7°	90.0°
C55	C54	H36	108.7°	90.0°
C55	C54	H37	108.6°	90.0°
C54	C55	H38	109.5°	90.0°
C54	C55	H39	109.5°	90.0°
C54	C55	H40	109.5°	90.0°
C49	C48	C47	115.1°	90.0°
C49	C48	H24	108.0°	90.0°
C49	C48	H25	108.1°	90.0°
C48	C49	H26	108.5°	90.0°
C48	C49	H27	108.5°	90.0°
C8	C9	O10	113.2°	90.0°
C9	C8	C41	103.2°	90.0°
C9	C8	O7	110.7°	90.0°
C9	C8	H3	110.3°	90.0°
C8	C9	H4	109.1°	90.0°
O10	C9	H4	110.7°	90.0°
C9	O10	H5	109.5°	90.0°
C8	C41	N42	113.1°	90.0°
C41	C8	O7	110.2°	90.0°
C41	C8	H3	110.2°	90.0°
C8	C41	H15	108.0°	90.0°
C41	N42	C43	128.2°	90.0°
C41	N42	N60	120.3°	90.0°
N42	C41	H15	109.0°	90.0°
O7	C8	H3	111.9°	90.0°
C8	O7	H53	109.5°	90.0°
C47	C46	C45	111.8°	90.0°
C46	C47	C48	115.3°	90.0°
C47	C46	H20	108.9°	90.0°
C47	C46	H21	108.9°	90.0°
C46	C47	H22	108.0°	90.0°
C46	C47	H23	108.0°	90.0°
C46	C45	C44	114.6°	90.0°
C46	C45	H18	108.2°	90.0°
C46	C45	H19	108.2°	90.0°
C45	C46	H20	108.9°	90.0°
C45	C46	H21	108.9°	90.0°
C48	C47	H22	108.0°	90.0°
C48	C47	H23	108.0°	90.0°
C47	C48	H24	108.1°	90.0°
C47	C48	H25	108.0°	90.0°
C45	C44	C43	112.5°	90.0°
C45	C44	H16	108.7°	90.0°
C45	C44	H17	108.7°	90.0°
C44	C45	H18	108.2°	90.0°
C44	C45	H19	108.2°	90.0°
C44	C43	N42	124.3°	90.0°
C44	C43	C56	129.9°	90.0°
C43	C44	H16	108.7°	90.0°
C43	C44	H17	108.7°	90.0°
C43	N42	N60	111.4°	90.0°
N42	C43	C56	105.7°	90.0°
N42	N60	N57	104.5°	90.0°
C43	C56	N57	105.7°	90.0°
C43	C56	H41	127.1°	90.0°
N60	N57	C56	112.6°	90.0°
N60	N57	C58	118.4°	90.0°
C56	N57	C58	128.6°	90.0°
N57	C56	H41	127.1°	90.0°
N57	C58	C59	114.2°	90.0°
N57	C58	H42	108.3°	90.0°
N57	C58	H43	108.3°	90.0°
C59	C58	H42	108.3°	90.0°
C59	C58	H43	108.3°	90.0°
C58	C59	H44	109.5°	90.0°
C58	C59	H45	109.5°	90.0°
C58	C59	H46	109.5°	90.0°
H6	C12	H7	109.4°	90.0°
H8	C18	H9	109.5°	90.0°
H16	C44	H17	109.5°	90.0°
H18	C45	H19	109.5°	90.0°
H20	C46	H21	109.5°	90.0°
H22	C47	H23	109.5°	90.0°
H24	C48	H25	109.5°	90.0°
H26	C49	H27	109.4°	90.0°
H28	C50	H29	109.5°	90.0°
H30	C51	H31	109.5°	90.0°
H32	C52	H33	109.4°	90.0°
H34	C53	H35	109.4°	90.0°
H36	C54	H37	109.4°	90.0°
H38	C55	H39	109.5°	90.0°
H38	C55	H40	109.5°	90.0°
H39	C55	H40	109.5°	90.0°
H42	C58	H43	109.5°	90.0°
H44	C59	H45	109.5°	90.0°
H44	C59	H46	109.4°	90.0°
H45	C59	H46	109.5°	90.0°
H47	N31	H48	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O23	C22	C24	C20	117.5°	90.0°
O23	C22	C24	H13	125.3°	90.0°
O23	C22	C20	H13	125.6°	90.0°
O23	C22	C24	N25	87.2°	90.0°
O23	C22	C24	O35	154.0°	90.0°
O23	C22	C20	O21	34.5°	90.0°
O23	C22	C20	C19	152.1°	90.0°
O23	C22	C24	H1	36.0°	90.0°
O23	C22	C20	H12	90.5°	90.0°
N31	C30	N29	C32	177.4°	90.0°
N31	C30	N29	C28	177.0°	90.0°
N31	C30	C32	N33	1.8°	90.0°
N31	C30	C32	C26	176.5°	90.0°
C30	N31	H47	H48	120.0°	90.0°
C30	N29	C28	N27	0.1°	90.0°
N29	C30	C32	N33	179.0°	90.0°
N29	C30	C32	C26	0.7°	90.0°
C30	N29	C28	H2	179.9°	90.0°
N29	C30	N31	H47	0.0°	90.0°
N29	C30	N31	H48	120.0°	90.0°
C28	N29	C30	C32	0.4°	90.0°
N29	C28	N27	H2	180.0°	90.0°
N29	C28	N27	C26	0.1°	90.0°
C30	C32	N33	C26	178.4°	90.0°
C30	C32	C26	N27	0.8°	90.0°
C30	C32	N33	C34	178.2°	90.0°
C30	C32	C26	N25	178.3°	90.0°
C32	C30	N31	H47	177.2°	90.0°
C32	C30	N31	H48	57.2°	90.0°
C28	N27	C26	C32	0.5°	90.0°
C28	N27	C26	N25	178.4°	90.0°
N33	C32	C26	N27	179.5°	90.0°
N33	C32	C26	N25	0.3°	90.0°
C32	N33	C34	N25	0.1°	90.0°
C32	N33	C34	H14	179.9°	90.0°
C32	C26	N27	N25	178.9°	90.0°
C26	C32	N33	C34	0.2°	90.0°
C32	C26	N25	C34	0.4°	90.0°
C32	C26	N25	C24	171.4°	90.0°
N27	C26	N25	C34	179.5°	90.0°
N27	C26	N25	C24	7.7°	90.0°
C26	N27	C28	H2	179.8°	90.0°
N33	C34	N25	C26	0.3°	90.0°
N33	C34	N25	H14	180.0°	90.0°
N33	C34	N25	C24	171.3°	90.0°
C26	N25	C24	C22	143.9°	90.0°
C26	N25	C34	C24	171.6°	90.0°
C26	N25	C24	O35	98.2°	90.0°
C26	N25	C24	H1	21.1°	90.0°
C26	N25	C34	H14	179.7°	90.0°
C24	C22	C20	H13	117.3°	90.0°
C22	C24	N25	C34	46.1°	90.0°
C22	C24	N25	O35	117.9°	90.0°
C22	C24	N25	H1	122.8°	90.0°
C22	C24	O35	H1	117.0°	90.0°
C24	C22	C20	O21	82.6°	90.0°
C24	C22	C20	C19	35.0°	90.0°
C22	C24	O35	C19	23.6°	90.0°
C24	C22	C20	H12	152.4°	90.0°
C24	C22	O23	H50	180.0°	90.0°
C20	C22	C24	N25	155.3°	90.0°
C20	C22	C24	O35	36.5°	90.0°
C22	C20	O21	C19	113.6°	90.0°
C22	C20	O21	H12	124.1°	90.0°
C22	C20	C19	H12	117.4°	90.0°
C22	C20	C19	O35	22.5°	90.0°
C22	C20	C19	C18	99.5°	90.0°
C20	C22	C24	H1	81.5°	90.0°
C22	C20	C19	H11	139.4°	90.0°
C22	C20	O21	H49	180.0°	90.0°
C20	C22	O23	H50	69.0°	90.0°
C34	N25	C24	O35	71.8°	90.0°
C34	N25	C24	H1	168.9°	90.0°
N25	C24	O35	H1	118.9°	90.0°
N25	C24	O35	C19	147.7°	90.0°
N25	C24	C22	H13	38.0°	90.0°
C24	N25	C34	H14	8.7°	90.0°
C24	O35	C19	C20	0.4°	90.0°
C24	O35	C19	C18	125.8°	90.0°
C24	O35	C19	H11	115.8°	90.0°
O35	C24	C22	H13	80.8°	90.0°
O21	C20	C19	H12	123.3°	90.0°
O21	C20	C19	O35	96.8°	90.0°
O21	C20	C19	C18	141.2°	90.0°
O21	C20	C19	H11	20.0°	90.0°
O21	C20	C22	H13	160.1°	90.0°
C20	C19	O35	C18	125.4°	90.0°
C20	C19	O35	H11	116.2°	90.0°
C20	C19	C18	H11	121.0°	90.0°
C20	C19	C18	O17	64.4°	90.0°
C20	C19	C18	H8	55.2°	90.0°
C20	C19	C18	H9	176.0°	90.0°
C19	C20	C22	H13	82.3°	90.0°
C19	C20	O21	H49	66.4°	90.0°
O35	C19	C18	H11	119.0°	90.0°
O35	C19	C18	O17	175.6°	90.0°
C19	O35	C24	H1	93.4°	90.0°
O35	C19	C18	H8	64.8°	90.0°
O35	C19	C18	H9	56.0°	90.0°
O35	C19	C20	H12	139.9°	90.0°
C19	C18	O17	H8	119.6°	90.0°
C19	C18	O17	H9	119.6°	90.0°
C19	C18	O17	P16	171.7°	90.0°
C19	C18	H8	H9	121.2°	90.0°
C18	C19	C20	H12	17.9°	90.0°
C18	O17	P16	O37	47.1°	90.0°
C18	O17	P16	O36	178.2°	90.0°
C18	O17	P16	O15	67.2°	90.0°
O17	C18	H8	H9	121.2°	90.0°
O17	C18	C19	H11	56.6°	90.0°
O37	P16	O17	O36	131.0°	90.0°
O37	P16	O17	O15	114.3°	90.0°
O37	P16	O36	O15	125.7°	90.0°
O37	P16	O15	P14	173.3°	90.0°
O37	P16	O36	H51	0.0°	90.0°
O17	P16	O36	O15	109.2°	90.0°
O17	P16	O15	P14	72.0°	90.0°
P16	O17	C18	H8	52.1°	90.0°
P16	O17	C18	H9	68.7°	90.0°
O17	P16	O36	H51	125.0°	90.0°
O36	P16	O15	P14	41.4°	90.0°
P16	O15	P14	O38	44.5°	90.0°
P16	O15	P14	O13	69.1°	90.0°
P16	O15	P14	O39	175.7°	90.0°
O15	P16	O36	H51	125.7°	90.0°
O15	P14	O38	O13	108.9°	90.0°
O15	P14	O38	O39	125.7°	90.0°
O15	P14	O13	O39	114.4°	90.0°
O15	P14	O13	C12	63.1°	90.0°
O15	P14	O39	H52	126.2°	90.0°
O38	P14	O13	O39	130.6°	90.0°
O38	P14	O13	C12	178.1°	90.0°
O38	P14	O39	H52	0.0°	90.0°
P14	O13	C12	C11	121.4°	90.0°
P14	O13	C12	H6	119.1°	90.0°
P14	O13	C12	H7	1.8°	90.0°
O13	P14	O39	H52	124.5°	90.0°
O39	P14	O13	C12	51.3°	90.0°
O13	C12	C11	H6	119.6°	90.0°
O13	C12	C11	H7	119.6°	90.0°
O13	C12	C11	O40	165.9°	90.0°
O13	C12	C11	C9	75.0°	90.0°
O13	C12	H6	H7	121.3°	90.0°
O13	C12	C11	H10	46.2°	90.0°
C12	C11	O40	C9	124.8°	90.0°
C12	C11	O40	H10	119.2°	90.0°
C12	C11	C9	H10	121.3°	90.0°
C12	C11	O40	C41	100.8°	90.0°
C12	C11	C9	C8	89.5°	90.0°
C12	C11	C9	O10	148.9°	90.0°
C12	C11	C9	H4	26.4°	90.0°
C11	C12	H6	H7	121.4°	90.0°
O40	C11	C9	H10	116.8°	90.0°
O40	C11	C9	C8	32.4°	90.0°
O40	C11	C9	O10	89.2°	90.0°
C11	O40	C41	C8	5.4°	90.0°
C11	O40	C41	N42	128.8°	90.0°
O40	C11	C9	H4	148.3°	90.0°
O40	C11	C12	H6	46.3°	90.0°
O40	C11	C12	H7	74.6°	90.0°
C11	O40	C41	H15	111.9°	90.0°
C9	C11	O40	C41	24.0°	90.0°
C11	C9	C8	O10	120.3°	90.0°
C11	C9	C8	H4	116.0°	90.0°
C11	C9	O10	H4	121.8°	90.0°
C11	C9	C8	C41	28.3°	90.0°
C11	C9	C8	O7	146.2°	90.0°
C11	C9	C8	H3	89.4°	90.0°
C11	C9	O10	H5	180.0°	90.0°
C9	C11	C12	H6	165.4°	90.0°
C9	C11	C12	H7	44.5°	90.0°
C53	C52	C51	H32	120.6°	90.0°
C53	C52	C51	H33	120.6°	90.0°
C53	C52	C51	C50	177.3°	90.0°
C52	C53	C54	H34	120.7°	90.0°
C52	C53	C54	H35	120.7°	90.0°
C52	C53	C54	C55	171.4°	90.0°
C53	C52	C51	H30	62.0°	90.0°
C53	C52	C51	H31	56.5°	90.0°
C53	C52	H32	H33	118.1°	90.0°
C52	C53	H34	H35	117.9°	90.0°
C52	C53	C54	H36	68.0°	90.0°
C52	C53	C54	H37	50.9°	90.0°
C52	C51	C50	C49	62.7°	90.0°
C52	C51	C50	H30	120.7°	90.0°
C52	C51	C50	H31	120.7°	90.0°
C51	C52	C53	C54	172.4°	90.0°
C52	C51	C50	H28	176.6°	90.0°
C52	C51	C50	H29	58.0°	90.0°
C52	C51	H30	H31	117.7°	90.0°
C51	C52	H32	H33	118.1°	90.0°
C51	C52	C53	H34	51.7°	90.0°
C51	C52	C53	H35	66.9°	90.0°
O40	C41	C8	C9	15.1°	90.0°
O40	C41	C8	N42	121.0°	90.0°
O40	C41	C8	H15	118.3°	90.0°
O40	C41	N42	H15	119.6°	90.0°
O40	C41	C8	O7	133.3°	90.0°
O40	C41	N42	C43	126.3°	90.0°
O40	C41	N42	N60	57.0°	90.0°
O40	C41	C8	H3	102.7°	90.0°
C41	O40	C11	H10	140.0°	90.0°
C49	C50	C51	H28	120.7°	90.0°
C49	C50	C51	H29	120.7°	90.0°
C50	C49	C48	H26	120.6°	90.0°
C50	C49	C48	H27	120.6°	90.0°
C50	C49	C48	C47	178.9°	90.0°
C50	C49	C48	H24	58.1°	90.0°
C50	C49	C48	H25	60.2°	90.0°
C50	C49	H26	H27	118.2°	90.0°
C49	C50	H28	H29	117.8°	90.0°
C49	C50	C51	H30	176.6°	90.0°
C49	C50	C51	H31	58.0°	90.0°
C51	C50	C49	C48	58.1°	90.0°
C51	C50	C49	H26	62.5°	90.0°
C51	C50	C49	H27	178.7°	90.0°
C51	C50	H28	H29	117.7°	90.0°
C50	C51	H30	H31	117.8°	90.0°
C50	C51	C52	H32	56.6°	90.0°
C50	C51	C52	H33	62.1°	90.0°
C53	C54	C55	H36	120.5°	90.0°
C53	C54	C55	H37	120.5°	90.0°
C54	C53	C52	H32	51.8°	90.0°
C54	C53	C52	H33	66.9°	90.0°
C54	C53	H34	H35	117.8°	90.0°
C53	C54	H36	H37	118.5°	90.0°
C53	C54	C55	H38	180.0°	90.0°
C53	C54	C55	H39	60.0°	90.0°
C53	C54	C55	H40	60.0°	90.0°
C55	C54	C53	H34	50.7°	90.0°
C55	C54	C53	H35	67.8°	90.0°
C55	C54	H36	H37	118.5°	90.0°
C54	C55	H38	H39	120.0°	90.0°
C54	C55	H38	H40	120.0°	90.0°
C54	C55	H39	H40	120.0°	90.0°
C49	C48	C47	C46	71.6°	90.0°
C49	C48	C47	H24	120.8°	90.0°
C49	C48	C47	H25	120.9°	90.0°
C49	C48	C47	H22	49.3°	90.0°
C49	C48	C47	H23	167.5°	90.0°
C49	C48	H24	H25	117.4°	90.0°
C48	C49	H26	H27	118.2°	90.0°
C48	C49	C50	H28	62.6°	90.0°
C48	C49	C50	H29	178.8°	90.0°
C8	C9	O10	H4	122.8°	90.0°
C9	C8	C41	O7	118.2°	90.0°
C9	C8	C41	H3	117.8°	90.0°
C9	C8	C41	N42	105.9°	90.0°
C9	C8	O7	H3	123.4°	90.0°
C8	C9	O10	H5	64.6°	90.0°
C8	C9	C11	H10	149.1°	90.0°
C9	C8	C41	H15	133.4°	90.0°
C9	C8	O7	H53	180.0°	90.0°
O10	C9	C8	C41	92.0°	90.0°
O10	C9	C8	O7	25.9°	90.0°
O10	C9	C8	H3	150.3°	90.0°
O10	C9	C11	H10	27.6°	90.0°
C8	C41	N42	H15	120.1°	90.0°
C41	C8	O7	H3	123.0°	90.0°
C8	C41	N42	C43	113.4°	90.0°
C8	C41	N42	N60	63.3°	90.0°
C41	C8	C9	H4	144.3°	90.0°
C41	C8	O7	H53	66.4°	90.0°
N42	C41	C8	O7	12.3°	90.0°
C41	N42	C43	C44	1.0°	90.0°
C41	N42	C43	N60	176.9°	90.0°
C41	N42	C43	C56	176.9°	90.0°
C41	N42	N60	N57	177.1°	90.0°
N42	C41	C8	H3	136.3°	90.0°
O7	C8	C9	H4	97.8°	90.0°
O7	C8	C41	H15	108.4°	90.0°
C47	C46	C45	H20	120.3°	90.0°
C47	C46	C45	H21	120.3°	90.0°
C46	C47	C48	H22	120.9°	90.0°
C46	C47	C48	H23	120.8°	90.0°
C47	C46	C45	C44	179.3°	90.0°
C47	C46	C45	H18	60.0°	90.0°
C47	C46	C45	H19	58.5°	90.0°
C47	C46	H20	H21	118.9°	90.0°
C46	C47	H22	H23	117.4°	90.0°
C46	C47	C48	H24	49.2°	90.0°
C46	C47	C48	H25	167.5°	90.0°
C45	C46	C47	C48	166.9°	90.0°
C46	C45	C44	H18	120.8°	90.0°
C46	C45	C44	H19	120.8°	90.0°
C46	C45	C44	C43	173.2°	90.0°
C46	C45	C44	H16	66.4°	90.0°
C46	C45	C44	H17	52.7°	90.0°
C46	C45	H18	H19	117.7°	90.0°
C45	C46	H20	H21	119.0°	90.0°
C45	C46	C47	H22	72.2°	90.0°
C45	C46	C47	H23	46.1°	90.0°
C48	C47	C46	H20	72.7°	90.0°
C48	C47	C46	H21	46.6°	90.0°
C48	C47	H22	H23	117.3°	90.0°
C47	C48	H24	H25	117.4°	90.0°
C47	C48	C49	H26	60.5°	90.0°
C47	C48	C49	H27	58.3°	90.0°
C45	C44	C43	H16	120.5°	90.0°
C45	C44	C43	H17	120.5°	90.0°
C45	C44	C43	N42	83.9°	90.0°
C45	C44	C43	C56	91.1°	90.0°
C45	C44	H16	H17	118.6°	90.0°
C44	C45	H18	H19	117.6°	90.0°
C44	C45	C46	H20	58.9°	90.0°
C44	C45	C46	H21	60.4°	90.0°
C44	C43	N42	C56	175.9°	90.0°
C44	C43	N42	N60	175.9°	90.0°
C44	C43	C56	N57	175.5°	90.0°
C43	C44	H16	H17	118.6°	90.0°
C43	C44	C45	H18	52.4°	90.0°
C43	C44	C45	H19	66.1°	90.0°
C44	C43	C56	H41	4.5°	90.0°
C43	N42	N60	N57	0.1°	90.0°
N42	C43	C56	N57	0.1°	90.0°
C43	N42	C41	H15	6.7°	90.0°
N42	C43	C44	H16	36.6°	90.0°
N42	C43	C44	H17	155.7°	90.0°
N42	C43	C56	H41	179.9°	90.0°
N60	N42	C43	C56	0.0°	90.0°
N42	N60	N57	C56	0.2°	90.0°
N42	N60	N57	C58	173.9°	90.0°
N60	N42	C41	H15	176.6°	90.0°
C43	C56	N57	N60	0.2°	90.0°
C43	C56	N57	H41	180.0°	90.0°
C43	C56	N57	C58	173.1°	90.0°
C56	C43	C44	H16	148.5°	90.0°
C56	C43	C44	H17	29.4°	90.0°
N60	N57	C56	C58	173.3°	90.0°
N60	N57	C58	C59	89.5°	90.0°
N60	N57	C56	H41	179.8°	90.0°
N60	N57	C58	H42	149.8°	90.0°
N60	N57	C58	H43	31.2°	90.0°
C56	N57	C58	C59	97.5°	90.0°
C56	N57	C58	H42	23.2°	90.0°
C56	N57	C58	H43	141.8°	90.0°
N57	C58	C59	H42	120.7°	90.0°
N57	C58	C59	H43	120.7°	90.0°
C58	N57	C56	H41	6.9°	90.0°
N57	C58	H42	H43	117.9°	90.0°
N57	C58	C59	H44	180.0°	90.0°
N57	C58	C59	H45	60.0°	90.0°
N57	C58	C59	H46	60.0°	90.0°
C59	C58	H42	H43	117.8°	90.0°
C58	C59	H44	H45	120.0°	90.0°
C58	C59	H44	H46	120.0°	90.0°
C58	C59	H45	H46	120.0°	90.0°
H1	C24	C22	H13	161.3°	90.0°
H3	C8	C9	H4	26.6°	90.0°
H3	C8	C41	H15	15.6°	90.0°
H3	C8	O7	H53	56.6°	90.0°
H4	C9	O10	H5	58.2°	90.0°
H4	C9	C11	H10	95.0°	90.0°
H6	C12	C11	H10	73.4°	90.0°
H7	C12	C11	H10	165.7°	90.0°
H8	C18	C19	H11	176.2°	90.0°
H9	C18	C19	H11	63.0°	90.0°
H11	C19	C20	H12	103.2°	90.0°
H12	C20	C22	H13	35.1°	90.0°
H12	C20	O21	H49	55.9°	90.0°
H13	C22	O23	H50	55.7°	90.0°
H16	C44	C45	H18	172.9°	90.0°
H16	C44	C45	H19	54.4°	90.0°
H17	C44	C45	H18	68.1°	90.0°
H17	C44	C45	H19	173.4°	90.0°
H18	C45	C46	H20	179.7°	90.0°
H18	C45	C46	H21	60.3°	90.0°
H19	C45	C46	H20	61.8°	90.0°
H19	C45	C46	H21	178.8°	90.0°
H20	C46	C47	H22	48.1°	90.0°
H20	C46	C47	H23	166.5°	90.0°
H21	C46	C47	H22	167.4°	90.0°
H21	C46	C47	H23	74.3°	90.0°
H22	C47	C48	H24	170.1°	90.0°
H22	C47	C48	H25	71.6°	90.0°
H23	C47	C48	H24	71.7°	90.0°
H23	C47	C48	H25	46.7°	90.0°
H24	C48	C49	H26	178.7°	90.0°
H24	C48	C49	H27	62.5°	90.0°
H25	C48	C49	H26	60.4°	90.0°
H25	C48	C49	H27	179.2°	90.0°
H26	C49	C50	H28	176.8°	90.0°
H26	C49	C50	H29	58.2°	90.0°
H27	C49	C50	H28	58.0°	90.0°
H27	C49	C50	H29	60.6°	90.0°
H28	C50	C51	H30	55.9°	90.0°
H28	C50	C51	H31	62.7°	90.0°
H29	C50	C51	H30	62.7°	90.0°
H29	C50	C51	H31	178.7°	90.0°
H30	C51	C52	H32	177.4°	90.0°
H30	C51	C52	H33	58.6°	90.0°
H31	C51	C52	H32	64.1°	90.0°
H31	C51	C52	H33	177.2°	90.0°
H32	C52	C53	H34	68.9°	90.0°
H32	C52	C53	H35	172.5°	90.0°
H33	C52	C53	H34	172.4°	90.0°
H33	C52	C53	H35	53.8°	90.0°
H34	C53	C54	H36	171.2°	90.0°
H34	C53	C54	H37	69.8°	90.0°
H35	C53	C54	H36	52.7°	90.0°
H35	C53	C54	H37	171.7°	90.0°
H36	C54	C55	H38	59.5°	90.0°
H36	C54	C55	H39	179.5°	90.0°
H36	C54	C55	H40	60.5°	90.0°
H37	C54	C55	H38	59.5°	90.0°
H37	C54	C55	H39	60.6°	90.0°
H37	C54	C55	H40	179.5°	90.0°
H38	C55	H39	H40	120.0°	90.0°
H42	C58	C59	H44	59.3°	90.0°
H42	C58	C59	H45	179.3°	90.0°
H42	C58	C59	H46	60.7°	90.0°
H43	C58	C59	H44	59.3°	90.0°
H43	C58	C59	H45	60.7°	90.0°
H43	C58	C59	H46	179.3°	90.0°
H44	C59	H45	H46	120.0°	90.0°

Release date:	2025-11-12
Definition date:	2025-07-21
Last modified:	2025-11-07
Release status:	REL
Processing site:	PDBE
Derived from:	9S24