YG2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.50Å	1.50Å
N1	C3	sing	1.49Å	1.50Å
N1	C11	sing	1.35Å	1.38Å
C2	C5	sing	1.51Å	1.54Å
C3	C4	sing	1.49Å	1.53Å
C4	C5	sing	1.58Å	1.55Å
C4	C8	sing	1.49Å	1.53Å
C5	C6	sing	1.51Å	1.51Å
C6	N7	sing	1.50Å	1.48Å
N7	C8	sing	1.49Å	1.50Å
N7	C22	sing	1.35Å	1.38Å
C11	C12	sing	1.48Å	1.51Å
C11	O13	doub	1.22Å	1.23Å
C12	C14	doub	1.40Å	1.43Å	Aromatic
C12	C16	sing	1.39Å	1.39Å	Aromatic
C14	C15	sing	1.36Å	1.37Å	Aromatic
C15	C18	doub	1.39Å	1.40Å	Aromatic
C16	C17	doub	1.40Å	1.44Å	Aromatic
C17	C18	sing	1.41Å	1.44Å	Aromatic
C17	N21	sing	1.35Å	1.42Å	Aromatic
C18	N19	sing	1.37Å	1.41Å	Aromatic
N19	N20	sing	1.40Å	1.36Å	Aromatic
N20	N21	doub	1.29Å	1.31Å	Aromatic
C22	C23	sing	1.48Å	1.53Å
C22	O24	doub	1.21Å	1.24Å
C23	N25	doub	1.32Å	1.35Å	Aromatic
C23	C27	sing	1.40Å	1.44Å	Aromatic
N25	C29	sing	1.33Å	1.39Å	Aromatic
C26	C28	sing	1.41Å	1.43Å	Aromatic
C26	C27	doub	1.38Å	1.40Å	Aromatic
C26	O34	sing	1.36Å	1.37Å
C28	C29	doub	1.42Å	1.43Å	Aromatic
C28	C33	sing	1.40Å	1.44Å	Aromatic
C29	C30	sing	1.41Å	1.44Å	Aromatic
C30	C31	doub	1.36Å	1.39Å	Aromatic
C31	C32	sing	1.39Å	1.43Å	Aromatic
C32	C33	doub	1.36Å	1.37Å	Aromatic
O34	C35	sing	1.43Å	1.42Å
C35	C36	sing	1.53Å	1.57Å
C36	F37	sing	1.40Å	1.36Å
C36	F38	sing	1.40Å	1.35Å
C36	F39	sing	1.40Å	1.34Å
C15	H49	sing	1.08Å	1.08Å
C16	H50	sing	1.08Å	1.08Å
C27	H52	sing	1.08Å	1.08Å
C2	H41	sing	1.09Å	1.10Å
C2	H40	sing	1.09Å	1.10Å
C3	H42	sing	1.09Å	1.10Å
C3	H43	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H45	sing	1.09Å	1.10Å
C6	H44	sing	1.09Å	1.10Å
C8	H46	sing	1.09Å	1.10Å
C8	H47	sing	1.09Å	1.10Å
C14	H48	sing	1.08Å	1.08Å
N19	H51	sing	0.97Å	1.00Å
C30	H53	sing	1.08Å	1.08Å
C31	H54	sing	1.08Å	1.08Å
C32	H55	sing	1.08Å	1.08Å
C33	H56	sing	1.08Å	1.08Å
C35	H57	sing	1.09Å	1.10Å
C35	H58	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C3	111.4°	107.7°
C2	N1	C11	125.4°	126.2°
N1	C2	C5	98.0°	102.4°
N1	C2	H41	112.3°	110.8°
N1	C2	H40	112.3°	110.8°
C3	N1	C11	123.2°	126.1°
N1	C3	C4	92.1°	104.6°
N1	C3	H42	113.6°	110.4°
N1	C3	H43	113.6°	110.4°
N1	C11	C12	122.8°	120.1°
N1	C11	O13	117.2°	120.0°
C2	C5	C4	101.0°	97.8°
C2	C5	C6	126.4°	124.1°
C5	C2	H41	112.2°	110.8°
C5	C2	H40	112.3°	110.8°
C2	C5	H9	107.9°	111.2°
C3	C4	C5	95.5°	100.7°
C3	C4	C8	127.8°	129.2°
C4	C3	H42	113.6°	110.4°
C4	C3	H43	113.6°	110.4°
C3	C4	H10	109.3°	108.6°
C5	C4	C8	103.8°	100.6°
C4	C5	C6	104.0°	97.8°
C5	C4	H10	109.0°	107.5°
C4	C5	H9	107.8°	111.8°
C4	C8	N7	102.4°	104.6°
C8	C4	H10	109.3°	107.9°
C4	C8	H46	111.2°	110.4°
C4	C8	H47	111.2°	110.5°
C5	C6	N7	101.0°	102.4°
C6	C5	H9	108.2°	111.7°
C5	C6	H45	111.5°	110.8°
C5	C6	H44	111.6°	110.8°
C6	N7	C8	113.4°	107.7°
C6	N7	C22	120.4°	126.1°
N7	C6	H45	111.5°	110.8°
N7	C6	H44	111.5°	110.8°
C8	N7	C22	126.2°	126.2°
N7	C8	H46	111.2°	110.4°
N7	C8	H47	111.2°	110.4°
N7	C22	C23	125.7°	120.0°
N7	C22	O24	117.2°	120.0°
C12	C11	O13	120.0°	120.0°
C11	C12	C14	113.7°	119.8°
C11	C12	C16	124.0°	119.9°
C14	C12	C16	122.2°	120.3°
C12	C14	C15	123.0°	120.4°
C12	C14	H48	118.5°	119.8°
C12	C16	C17	115.3°	119.6°
C12	C16	H50	122.3°	120.2°
C14	C15	C18	116.9°	120.2°
C14	C15	H49	121.6°	119.9°
C15	C14	H48	118.5°	119.8°
C15	C18	C17	121.1°	120.2°
C15	C18	N19	133.1°	133.8°
C18	C15	H49	121.5°	119.9°
C16	C17	C18	121.5°	119.4°
C16	C17	N21	132.8°	133.1°
C17	C16	H50	122.4°	120.2°
C18	C17	N21	105.7°	107.6°
C17	C18	N19	105.8°	106.1°
C17	N21	N20	108.7°	110.1°
C18	N19	N20	107.9°	106.7°
C18	N19	H51	126.1°	126.6°
N19	N20	N21	112.0°	109.5°
N20	N19	H51	126.1°	126.7°
C23	C22	O24	117.1°	120.0°
C22	C23	N25	118.1°	119.2°
C22	C23	C27	118.1°	119.2°
N25	C23	C27	123.7°	121.6°
C23	N25	C29	118.3°	121.6°
C23	C27	C26	116.6°	119.6°
C23	C27	H52	121.7°	120.2°
N25	C29	C28	123.0°	120.1°
N25	C29	C30	117.0°	120.9°
C28	C26	C27	122.2°	118.0°
C28	C26	O34	112.7°	121.0°
C26	C28	C29	116.3°	119.1°
C26	C28	C33	123.9°	121.2°
C27	C26	O34	125.1°	121.0°
C26	C27	H52	121.7°	120.2°
C26	O34	C35	117.2°	117.0°
C29	C28	C33	119.8°	119.7°
C28	C29	C30	120.0°	119.0°
C28	C33	C32	119.6°	119.6°
C28	C33	H56	120.2°	120.2°
C29	C30	C31	118.1°	119.8°
C29	C30	H53	120.9°	120.1°
C30	C31	C32	121.9°	121.1°
C31	C30	H53	120.9°	120.1°
C30	C31	H54	119.0°	119.5°
C31	C32	C33	120.5°	120.9°
C32	C31	H54	119.1°	119.4°
C31	C32	H55	119.7°	119.6°
C33	C32	H55	119.8°	119.5°
C32	C33	H56	120.2°	120.2°
O34	C35	C36	102.9°	109.5°
O34	C35	H57	111.1°	109.5°
O34	C35	H58	111.1°	109.5°
C35	C36	F37	112.8°	109.5°
C35	C36	F38	111.6°	109.5°
C35	C36	F39	113.1°	109.5°
C36	C35	H57	111.1°	109.5°
C36	C35	H58	111.1°	109.5°
F37	C36	F38	107.3°	109.5°
F37	C36	F39	107.0°	109.5°
F38	C36	F39	104.6°	109.4°
H41	C2	H40	109.5°	110.9°
H42	C3	H43	109.5°	110.5°
H45	C6	H44	109.5°	110.9°
H46	C8	H47	109.5°	110.4°
H57	C35	H58	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C3	C11	178.2°	179.7°
N1	C2	C5	H41	118.1°	118.2°
N1	C2	C5	H40	118.1°	118.2°
C2	N1	C3	C4	45.2°	6.8°
N1	C2	C5	C4	28.9°	45.6°
N1	C2	C5	C6	145.6°	150.6°
C2	N1	C11	C12	1.5°	175.5°
C2	N1	C11	O13	178.2°	4.2°
N1	C2	H41	H40	125.4°	123.5°
C2	N1	C3	H42	162.2°	125.5°
C2	N1	C3	H43	71.7°	112.0°
N1	C2	C5	H9	84.0°	71.5°
C3	N1	C2	C5	10.4°	25.8°
N1	C3	C4	H42	117.0°	118.8°
N1	C3	C4	H43	117.0°	118.8°
N1	C3	C4	C5	59.4°	35.0°
N1	C3	C4	C8	171.5°	148.3°
C3	N1	C11	C12	176.4°	4.2°
C3	N1	C11	O13	0.3°	176.1°
C3	N1	C2	H41	107.7°	144.1°
C3	N1	C2	H40	128.4°	92.4°
N1	C3	H42	H43	128.2°	122.5°
N1	C3	C4	H10	53.0°	77.7°
C11	N1	C2	C5	167.8°	154.4°
C11	N1	C3	C4	132.9°	173.0°
N1	C11	C12	O13	176.6°	179.7°
N1	C11	C12	C14	71.6°	33.8°
N1	C11	C12	C16	112.0°	146.8°
C11	N1	C2	H41	74.1°	36.2°
C11	N1	C2	H40	49.7°	87.3°
C11	N1	C3	H42	16.0°	54.2°
C11	N1	C3	H43	110.1°	68.3°
C2	C5	C4	C3	58.0°	50.1°
C2	C5	C4	C6	132.2°	126.2°
C2	C5	C4	H9	113.0°	116.7°
C2	C5	C4	C8	170.9°	176.3°
C2	C5	C6	H9	130.2°	137.8°
C2	C5	C6	N7	151.8°	150.6°
C5	C2	H41	H40	125.3°	123.6°
C2	C5	C4	H10	54.5°	63.5°
C2	C5	C6	H45	89.6°	91.2°
C2	C5	C6	H44	33.2°	32.4°
C3	C4	C5	C8	131.1°	133.7°
C3	C4	C5	H10	112.6°	113.5°
C3	C4	C8	H10	135.5°	134.2°
C3	C4	C5	C6	169.8°	176.3°
C3	C4	C8	N7	132.2°	148.4°
C4	C3	H42	H43	128.2°	122.4°
C3	C4	C5	H9	55.0°	66.6°
C3	C4	C8	H46	109.0°	92.9°
C3	C4	C8	H47	13.3°	29.6°
C5	C4	C8	H10	116.1°	112.5°
C4	C5	C6	H9	114.4°	117.3°
C4	C5	C6	N7	36.5°	45.6°
C5	C4	C8	N7	23.9°	35.0°
C4	C5	C2	H41	147.0°	163.8°
C4	C5	C2	H40	89.2°	72.6°
C5	C4	C3	H42	176.3°	153.8°
C5	C4	C3	H43	57.6°	83.8°
C4	C5	C6	H45	155.0°	163.8°
C4	C5	C6	H44	82.1°	72.6°
C5	C4	C8	H46	142.7°	153.8°
C5	C4	C8	H47	95.0°	83.8°
C8	C4	C5	C6	38.7°	50.1°
C4	C8	N7	C6	1.2°	6.8°
C4	C8	N7	H46	118.9°	118.8°
C4	C8	N7	H47	118.9°	118.9°
C4	C8	N7	C22	176.6°	173.2°
C8	C4	C3	H42	71.5°	92.9°
C8	C4	C3	H43	54.5°	29.6°
C8	C4	C5	H9	76.1°	67.0°
C4	C8	H46	H47	123.3°	122.5°
C5	C6	N7	H45	118.6°	118.2°
C5	C6	N7	H44	118.6°	118.2°
C5	C6	N7	C8	22.5°	25.8°
C5	C6	N7	C22	159.6°	154.2°
C6	C5	C2	H41	96.3°	91.2°
C6	C5	C2	H40	27.5°	32.4°
C6	C5	C4	H10	77.7°	62.7°
C5	C6	H45	H44	124.0°	123.5°
C6	N7	C8	C22	177.7°	180.0°
C6	N7	C22	C23	3.8°	180.0°
C6	N7	C22	O24	179.1°	0.0°
N7	C6	C5	H9	78.0°	71.6°
N7	C6	H45	H44	124.0°	123.5°
C6	N7	C8	H46	120.0°	125.6°
C6	N7	C8	H47	117.7°	112.1°
C8	N7	C22	C23	178.6°	0.0°
C8	N7	C22	O24	1.5°	180.0°
N7	C8	C4	H10	92.2°	77.5°
C8	N7	C6	H45	141.1°	144.0°
C8	N7	C6	H44	96.1°	92.4°
N7	C8	H46	H47	123.3°	122.3°
N7	C22	C23	O24	177.0°	180.0°
N7	C22	C23	N25	58.7°	0.0°
N7	C22	C23	C27	124.3°	179.7°
C22	N7	C6	H45	41.0°	36.0°
C22	N7	C6	H44	81.8°	87.6°
C22	N7	C8	H46	57.7°	54.4°
C22	N7	C8	H47	64.5°	67.9°
C11	C12	C14	C16	176.5°	179.5°
C11	C12	C14	C15	178.3°	180.0°
C11	C12	C16	C17	178.0°	179.7°
C11	C12	C16	H50	2.1°	0.3°
C11	C12	C14	H48	1.7°	0.0°
O13	C11	C12	C14	105.0°	146.5°
O13	C11	C12	C16	71.4°	33.0°
C12	C14	C15	H48	180.0°	180.0°
C12	C14	C15	C18	0.9°	0.0°
C14	C12	C16	C17	1.9°	0.8°
C12	C14	C15	H49	179.0°	179.7°
C14	C12	C16	H50	178.1°	179.7°
C16	C12	C14	C15	1.8°	0.6°
C12	C16	C17	H50	180.0°	179.4°
C12	C16	C17	C18	1.2°	0.5°
C12	C16	C17	N21	178.8°	179.5°
C16	C12	C14	H48	178.2°	179.5°
C14	C15	C18	H49	180.0°	179.7°
C14	C15	C18	C17	0.3°	0.3°
C14	C15	C18	N19	179.3°	179.7°
C15	C18	C17	C16	0.5°	0.0°
C15	C18	C17	N19	179.7°	180.0°
C15	C18	C17	N21	179.5°	180.0°
C15	C18	N19	N20	179.5°	180.0°
C18	C15	C14	H48	179.1°	180.0°
C15	C18	N19	H51	0.5°	0.0°
C16	C17	C18	N21	180.0°	180.0°
C16	C17	C18	N19	179.2°	180.0°
C16	C17	N21	N20	179.5°	180.0°
C17	C18	N19	N20	0.8°	0.0°
C18	C17	N21	N20	0.4°	0.0°
C17	C18	C15	H49	179.7°	180.0°
C18	C17	C16	H50	178.8°	180.0°
C17	C18	N19	H51	179.2°	180.0°
N21	C17	C18	N19	0.7°	0.0°
C17	N21	N20	N19	0.1°	0.0°
N21	C17	C16	H50	1.2°	0.0°
C18	N19	N20	H51	180.0°	180.0°
C18	N19	N20	N21	0.5°	0.0°
N19	C18	C15	H49	0.7°	0.1°
N21	N20	N19	H51	179.4°	180.0°
C22	C23	N25	C27	176.8°	179.7°
C22	C23	N25	C29	178.7°	179.9°
C22	C23	C27	C26	178.7°	180.0°
C22	C23	C27	H52	1.3°	0.1°
O24	C22	C23	N25	118.3°	180.0°
O24	C22	C23	C27	58.7°	0.3°
N25	C23	C27	C26	1.9°	0.3°
C23	N25	C29	C28	1.7°	0.0°
C23	N25	C29	C30	179.4°	179.7°
N25	C23	C27	H52	178.1°	179.7°
C27	C23	N25	C29	1.9°	0.3°
C23	C27	C26	C28	1.6°	0.0°
C23	C27	C26	H52	180.0°	180.0°
C23	C27	C26	O34	179.0°	179.7°
N25	C29	C28	C26	1.4°	0.3°
N25	C29	C28	C30	178.8°	179.7°
N25	C29	C28	C33	179.7°	179.8°
N25	C29	C30	C31	179.8°	179.8°
N25	C29	C30	H53	0.2°	0.4°
C28	C26	C27	O34	179.4°	179.8°
C26	C28	C29	C33	178.8°	179.9°
C26	C28	C29	C30	179.7°	180.0°
C26	C28	C33	C32	179.3°	180.0°
C28	C26	O34	C35	164.3°	180.0°
C28	C26	C27	H52	178.4°	180.0°
C26	C28	C33	H56	0.7°	0.0°
C27	C26	C28	C29	1.4°	0.3°
C27	C26	C28	C33	179.8°	179.8°
C27	C26	O34	C35	16.3°	0.3°
O34	C26	C28	C29	179.2°	180.0°
O34	C26	C28	C33	0.4°	0.1°
C26	O34	C35	C36	171.7°	180.0°
O34	C26	C27	H52	1.0°	0.2°
C26	O34	C35	H57	52.8°	60.0°
C26	O34	C35	H58	69.3°	60.0°
C28	C29	C30	C31	0.9°	0.1°
C29	C28	C33	C32	0.5°	0.1°
C28	C29	C30	H53	179.1°	179.9°
C29	C28	C33	H56	179.4°	180.0°
C33	C28	C29	C30	0.9°	0.1°
C28	C33	C32	C31	0.2°	0.1°
C28	C33	C32	H56	180.0°	179.9°
C28	C33	C32	H55	179.9°	180.0°
C29	C30	C31	H53	180.0°	179.9°
C29	C30	C31	C32	0.5°	0.1°
C29	C30	C31	H54	179.5°	180.0°
C30	C31	C32	H54	180.0°	180.0°
C30	C31	C32	C33	0.1°	0.1°
C30	C31	C32	H55	179.9°	180.0°
C31	C32	C33	H55	180.0°	179.9°
C32	C31	C30	H53	179.5°	179.9°
C31	C32	C33	H56	179.8°	180.0°
C33	C32	C31	H54	179.8°	180.0°
O34	C35	C36	H57	118.9°	120.0°
O34	C35	C36	H58	118.9°	120.0°
O34	C35	C36	F37	168.9°	60.0°
O34	C35	C36	F38	48.1°	180.0°
O34	C35	C36	F39	69.6°	60.0°
O34	C35	H57	H58	123.1°	120.0°
C35	C36	F37	F38	123.3°	120.0°
C35	C36	F37	F39	124.9°	120.0°
C35	C36	F38	F39	122.6°	120.0°
C36	C35	H57	H58	123.1°	120.0°
F37	C36	F38	F39	113.4°	120.0°
F37	C36	C35	H57	72.2°	60.0°
F37	C36	C35	H58	50.0°	180.0°
F38	C36	C35	H57	167.0°	60.0°
F38	C36	C35	H58	70.9°	60.0°
F39	C36	C35	H57	49.4°	180.0°
F39	C36	C35	H58	171.5°	60.0°
H49	C15	C14	H48	1.0°	0.3°
H41	C2	C5	H9	34.1°	46.7°
H40	C2	C5	H9	157.9°	170.3°
H42	C3	C4	H10	64.0°	41.0°
H43	C3	C4	H10	169.9°	163.5°
H10	C4	C5	H9	167.6°	179.9°
H10	C4	C8	H46	26.6°	41.3°
H10	C4	C8	H47	148.9°	163.7°
H9	C5	C6	H45	40.6°	46.6°
H9	C5	C6	H44	163.4°	170.2°
H53	C30	C31	H54	0.5°	0.1°
H54	C31	C32	H55	0.1°	0.1°
H55	C32	C33	H56	0.2°	0.1°

Release date:	2024-12-18
Definition date:	2023-06-13
Last modified:	2024-12-13
Release status:	REL
Processing site:	RCSB
Derived from:	7G5U