PRD_002605

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.51Å
C1	C3	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	O1	doub	1.21Å	1.23Å
C3	C4	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.52Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.51Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
N1	C7	sing	1.46Å	1.45Å
N1	H12	sing	0.97Å	1.00Å
C7	C8	sing	1.51Å	1.53Å
C7	C9	sing	1.53Å	1.54Å
C7	H13	sing	1.09Å	1.10Å
C8	O2	doub	1.21Å	1.23Å
C9	C10	sing	1.53Å	1.52Å
C9	C11	sing	1.53Å	1.52Å
C9	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.09Å	1.10Å
C11	H19	sing	1.09Å	1.10Å
C11	H20	sing	1.09Å	1.10Å
N2	C12	sing	1.47Å	1.45Å
N2	H21	sing	0.97Å	1.00Å
C12	C13	sing	1.53Å	1.53Å
C12	C16	sing	1.51Å	1.53Å
C12	H22	sing	1.09Å	1.10Å
C13	C14	sing	1.53Å	1.53Å
C13	H23	sing	1.09Å	1.10Å
C13	H24	sing	1.09Å	1.10Å
C14	S1	sing	1.81Å	1.78Å
C14	H25	sing	1.09Å	1.10Å
C14	H26	sing	1.09Å	1.10Å
S1	C15	sing	1.81Å	1.76Å
S1	O4	doub	1.42Å	1.43Å
S1	O5	doub	1.42Å	1.43Å
C15	H27	sing	1.09Å	1.10Å
C15	H28	sing	1.09Å	1.10Å
C15	H29	sing	1.09Å	1.10Å
C16	O3	doub	1.21Å	1.23Å
C23	C24	sing	1.53Å	1.55Å
C23	O7	sing	1.43Å	1.42Å
C24	C22	sing	1.51Å	1.54Å
C24	C25	sing	1.53Å	1.53Å
C21	C19	sing	1.53Å	1.52Å
C22	O6	doub	1.21Å	1.40Å
C22	C17	sing	1.51Å	1.53Å
C19	C18	sing	1.53Å	1.53Å
C19	C20	sing	1.53Å	1.52Å
C18	C17	sing	1.53Å	1.53Å
C17	N3	sing	1.46Å	1.46Å
N3	H30	sing	0.97Å	1.00Å
C17	H31	sing	1.09Å	1.10Å
C18	H32	sing	1.09Å	1.10Å
C18	H33	sing	1.09Å	1.10Å
C19	H34	sing	1.09Å	1.10Å
C20	H35	sing	1.09Å	1.10Å
C20	H36	sing	1.09Å	1.10Å
C20	H37	sing	1.09Å	1.10Å
C21	H38	sing	1.09Å	1.10Å
C21	H39	sing	1.09Å	1.10Å
C21	H40	sing	1.09Å	1.10Å
C23	H41	sing	1.09Å	1.10Å
C23	H42	sing	1.09Å	1.10Å
C24	H43	sing	1.09Å	1.10Å
C25	H44	sing	1.09Å	1.10Å
C25	H45	sing	1.09Å	1.10Å
C25	H46	sing	1.09Å	1.10Å
O7	H47	sing	0.97Å	0.95Å
C2	N1	sing	1.35Å	1.34Å
C8	N2	sing	1.35Å	1.34Å
C16	N3	sing	1.35Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	112.6°	109.5°
C2	C1	H1	108.7°	109.5°
C2	C1	H2	108.7°	109.5°
C1	C2	O1	121.8°	120.0°
C1	C2	N1	116.0°	120.0°
C3	C1	H1	108.7°	109.5°
C3	C1	H2	108.7°	109.5°
C1	C3	C4	113.4°	109.5°
C1	C3	H3	108.5°	109.5°
C1	C3	H4	108.5°	109.5°
H1	C1	H2	109.5°	109.4°
O1	C2	N1	122.3°	120.0°
C4	C3	H3	108.5°	109.5°
C4	C3	H4	108.4°	109.5°
C3	C4	C5	114.8°	109.5°
C3	C4	H5	108.1°	109.5°
C3	C4	H6	108.1°	109.5°
H3	C3	H4	109.5°	109.5°
C5	C4	H5	108.1°	109.5°
C5	C4	H6	108.1°	109.5°
C4	C5	C6	114.2°	109.5°
C4	C5	H7	108.3°	109.5°
C4	C5	H8	108.3°	109.5°
H5	C4	H6	109.5°	109.5°
C6	C5	H7	108.3°	109.5°
C6	C5	H8	108.3°	109.5°
C5	C6	H9	109.5°	109.4°
C5	C6	H10	109.5°	109.5°
C5	C6	H11	109.5°	109.4°
H7	C5	H8	109.5°	109.4°
H9	C6	H10	109.5°	109.5°
H9	C6	H11	109.4°	109.5°
H10	C6	H11	109.4°	109.5°
C7	N1	H12	118.9°	120.0°
N1	C7	C8	110.1°	109.4°
N1	C7	C9	110.8°	109.5°
N1	C7	H13	108.8°	109.5°
C7	N1	C2	122.1°	120.0°
H12	N1	C2	118.9°	120.0°
C8	C7	C9	111.2°	109.5°
C8	C7	H13	107.9°	109.5°
C7	C8	O2	120.6°	120.0°
C7	C8	N2	116.7°	120.0°
C9	C7	H13	107.8°	109.5°
C7	C9	C10	111.0°	109.5°
C7	C9	C11	111.2°	109.5°
C7	C9	H14	107.8°	109.5°
O2	C8	N2	122.8°	120.0°
C10	C9	C11	110.7°	109.5°
C10	C9	H14	108.0°	109.4°
C9	C10	H15	109.5°	109.4°
C9	C10	H16	109.5°	109.5°
C9	C10	H17	109.5°	109.4°
C11	C9	H14	108.0°	109.5°
C9	C11	H18	109.5°	109.5°
C9	C11	H19	109.4°	109.4°
C9	C11	H20	109.5°	109.5°
H15	C10	H16	109.4°	109.5°
H15	C10	H17	109.5°	109.5°
H16	C10	H17	109.5°	109.5°
H18	C11	H19	109.5°	109.4°
H18	C11	H20	109.5°	109.5°
H19	C11	H20	109.5°	109.5°
C12	N2	H21	119.6°	120.0°
N2	C12	C13	110.9°	109.4°
N2	C12	C16	111.4°	109.4°
N2	C12	H22	108.7°	109.4°
C12	N2	C8	120.9°	120.0°
H21	N2	C8	119.5°	120.0°
C13	C12	C16	110.2°	109.5°
C13	C12	H22	107.7°	109.5°
C12	C13	C14	113.7°	109.5°
C12	C13	H23	108.4°	109.5°
C12	C13	H24	108.4°	109.4°
C16	C12	H22	107.7°	109.5°
C12	C16	O3	120.4°	120.0°
C12	C16	N3	116.2°	119.9°
C14	C13	H23	108.4°	109.5°
C14	C13	H24	108.4°	109.4°
C13	C14	S1	113.3°	109.5°
C13	C14	H25	108.5°	109.4°
C13	C14	H26	108.5°	109.4°
H23	C13	H24	109.5°	109.4°
S1	C14	H25	108.5°	109.5°
S1	C14	H26	108.5°	109.5°
C14	S1	C15	104.7°	101.9°
C14	S1	O4	108.3°	108.6°
C14	S1	O5	108.4°	108.6°
H25	C14	H26	109.4°	109.5°
C15	S1	O4	108.4°	108.6°
C15	S1	O5	108.4°	108.6°
S1	C15	H27	109.5°	109.5°
S1	C15	H28	109.5°	109.5°
S1	C15	H29	109.5°	109.5°
O4	S1	O5	117.9°	119.2°
H27	C15	H28	109.5°	109.5°
H27	C15	H29	109.5°	109.5°
H28	C15	H29	109.5°	109.4°
O3	C16	N3	123.4°	120.0°
C24	C23	O7	111.8°	109.5°
C23	C24	C22	111.4°	109.5°
C23	C24	C25	108.3°	109.4°
C24	C23	H41	108.9°	109.5°
C24	C23	H42	108.9°	109.5°
C23	C24	H43	108.7°	109.5°
O7	C23	H41	108.9°	109.5°
O7	C23	H42	108.9°	109.5°
C23	O7	H47	109.5°	114.0°
C22	C24	C25	110.8°	109.5°
C24	C22	O6	109.6°	120.0°
C24	C22	C17	112.7°	120.0°
C22	C24	H43	108.8°	109.5°
C25	C24	H43	108.9°	109.5°
C24	C25	H44	109.5°	109.5°
C24	C25	H45	109.5°	109.4°
C24	C25	H46	109.5°	109.5°
C21	C19	C18	111.1°	109.4°
C21	C19	C20	110.7°	109.5°
C21	C19	H34	108.1°	109.4°
C19	C21	H38	109.5°	109.5°
C19	C21	H39	109.5°	109.4°
C19	C21	H40	109.5°	109.5°
O6	C22	C17	109.7°	120.0°
C22	C17	C18	113.0°	109.5°
C22	C17	N3	113.7°	109.5°
C22	C17	H31	106.7°	109.4°
C18	C19	C20	110.7°	109.5°
C19	C18	C17	115.3°	109.5°
C19	C18	H32	108.0°	109.5°
C19	C18	H33	108.0°	109.5°
C18	C19	H34	107.9°	109.5°
C20	C19	H34	108.2°	109.5°
C19	C20	H35	109.5°	109.5°
C19	C20	H36	109.5°	109.5°
C19	C20	H37	109.5°	109.5°
C18	C17	N3	109.0°	109.5°
C18	C17	H31	106.7°	109.5°
C17	C18	H32	108.0°	109.4°
C17	C18	H33	108.0°	109.5°
C17	N3	H30	118.2°	120.0°
N3	C17	H31	107.5°	109.5°
C17	N3	C16	123.6°	120.0°
H30	N3	C16	118.2°	120.0°
H32	C18	H33	109.4°	109.5°
H35	C20	H36	109.5°	109.5°
H35	C20	H37	109.4°	109.5°
H36	C20	H37	109.5°	109.4°
H38	C21	H39	109.5°	109.5°
H38	C21	H40	109.5°	109.5°
H39	C21	H40	109.5°	109.4°
H41	C23	H42	109.5°	109.4°
H44	C25	H45	109.5°	109.5°
H44	C25	H46	109.5°	109.5°
H45	C25	H46	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	H1	120.5°	120.0°
C2	C1	C3	H2	120.5°	120.0°
C2	C1	H1	H2	118.5°	120.0°
C1	C2	O1	N1	179.7°	179.9°
C2	C1	C3	C4	82.5°	180.0°
C2	C1	C3	H3	38.0°	60.0°
C2	C1	C3	H4	156.9°	60.0°
C1	C2	N1	C7	145.3°	180.0°
C1	C2	N1	H12	34.6°	0.1°
C3	C1	H1	H2	118.6°	120.0°
C3	C1	C2	O1	143.4°	0.0°
C1	C3	C4	H3	120.6°	120.0°
C1	C3	C4	H4	120.6°	120.0°
C1	C3	H3	H4	118.2°	120.0°
C1	C3	C4	C5	107.2°	180.0°
C1	C3	C4	H5	132.1°	60.0°
C1	C3	C4	H6	13.6°	60.0°
C3	C1	C2	N1	36.4°	180.0°
H1	C1	C2	O1	96.2°	120.0°
H1	C1	C3	C4	157.0°	60.0°
H1	C1	C3	H3	82.4°	180.0°
H1	C1	C3	H4	36.4°	60.0°
H1	C1	C2	N1	84.1°	60.0°
H2	C1	C2	O1	22.9°	120.1°
H2	C1	C3	C4	37.9°	59.9°
H2	C1	C3	H3	158.5°	60.0°
H2	C1	C3	H4	82.6°	180.0°
H2	C1	C2	N1	156.8°	60.0°
O1	C2	N1	C7	35.0°	0.1°
O1	C2	N1	H12	145.1°	180.0°
C4	C3	H3	H4	118.2°	120.0°
C3	C4	C5	H5	120.8°	120.0°
C3	C4	C5	H6	120.8°	120.0°
C3	C4	H5	H6	117.6°	120.0°
C3	C4	C5	C6	97.9°	180.0°
C3	C4	C5	H7	22.8°	60.0°
C3	C4	C5	H8	141.4°	59.9°
H3	C3	C4	C5	13.4°	60.0°
H3	C3	C4	H5	107.4°	180.0°
H3	C3	C4	H6	134.2°	60.0°
H4	C3	C4	C5	132.3°	60.0°
H4	C3	C4	H5	11.5°	60.0°
H4	C3	C4	H6	107.0°	NaN°
C5	C4	H5	H6	117.5°	120.0°
C4	C5	C6	H7	120.7°	120.0°
C4	C5	C6	H8	120.7°	120.1°
C4	C5	H7	H8	117.8°	120.0°
C4	C5	C6	H9	180.0°	60.0°
C4	C5	C6	H10	60.0°	180.0°
C4	C5	C6	H11	60.0°	60.0°
H5	C4	C5	C6	141.3°	60.0°
H5	C4	C5	H7	97.9°	180.0°
H5	C4	C5	H8	20.6°	60.0°
H6	C4	C5	C6	22.9°	60.0°
H6	C4	C5	H7	143.6°	60.0°
H6	C4	C5	H8	97.8°	180.0°
C6	C5	H7	H8	117.9°	120.0°
C5	C6	H9	H10	120.0°	120.0°
C5	C6	H9	H11	120.0°	119.9°
C5	C6	H10	H11	120.0°	120.0°
H7	C5	C6	H9	59.3°	60.1°
H7	C5	C6	H10	179.3°	59.9°
H7	C5	C6	H11	60.7°	179.9°
H8	C5	C6	H9	59.3°	180.0°
H8	C5	C6	H10	60.7°	60.0°
H8	C5	C6	H11	179.3°	60.0°
H9	C6	H10	H11	119.9°	120.0°
C7	N1	H12	C2	180.0°	179.9°
N1	C7	C8	C9	123.3°	120.0°
N1	C7	C8	H13	118.7°	120.0°
N1	C7	C9	H13	119.0°	120.0°
N1	C7	C8	O2	56.4°	22.2°
N1	C7	C9	C10	57.6°	65.7°
N1	C7	C9	C11	178.7°	54.3°
N1	C7	C9	H14	60.5°	174.4°
N1	C7	C8	N2	123.5°	157.9°
H12	N1	C7	C8	79.0°	25.0°
H12	N1	C7	C9	44.6°	94.9°
H12	N1	C7	H13	162.9°	145.0°
C8	C7	C9	H13	118.1°	120.0°
C7	C8	O2	N2	179.9°	179.9°
C8	C7	C9	C10	179.5°	174.4°
C8	C7	C9	C11	55.8°	65.6°
C8	C7	C9	H14	62.4°	54.5°
C7	C8	N2	C12	138.1°	175.4°
C7	C8	N2	H21	41.9°	4.6°
C8	C7	N1	C2	101.0°	155.0°
C9	C7	C8	O2	66.9°	97.8°
C7	C9	C10	C11	124.0°	120.0°
C7	C9	C10	H14	117.9°	120.0°
C7	C9	C11	H14	118.1°	120.0°
C7	C9	C10	H15	180.0°	60.0°
C7	C9	C10	H16	60.0°	180.0°
C7	C9	C10	H17	60.0°	60.0°
C7	C9	C11	H18	180.0°	175.5°
C7	C9	C11	H19	60.0°	55.6°
C7	C9	C11	H20	60.0°	64.4°
C9	C7	N1	C2	135.4°	85.0°
C9	C7	C8	N2	113.2°	82.1°
H13	C7	C8	O2	175.1°	142.1°
H13	C7	C9	C10	61.4°	54.4°
H13	C7	C9	C11	62.3°	174.4°
H13	C7	C9	H14	179.5°	65.6°
H13	C7	N1	C2	17.1°	35.1°
H13	C7	C8	N2	4.8°	37.9°
O2	C8	N2	C12	41.8°	4.7°
O2	C8	N2	H21	138.2°	175.3°
C10	C9	C11	H14	118.1°	119.9°
C9	C10	H15	H16	120.0°	120.0°
C9	C10	H15	H17	120.0°	120.0°
C9	C10	H16	H17	120.0°	120.0°
C10	C9	C11	H18	56.2°	55.5°
C10	C9	C11	H19	176.2°	64.4°
C10	C9	C11	H20	63.8°	175.6°
C11	C9	C10	H15	56.0°	60.0°
C11	C9	C10	H16	64.0°	60.0°
C11	C9	C10	H17	176.0°	180.0°
C9	C11	H18	H19	120.0°	119.9°
C9	C11	H18	H20	120.0°	120.1°
C9	C11	H19	H20	120.0°	120.0°
H14	C9	C10	H15	62.1°	180.0°
H14	C9	C10	H16	178.0°	60.0°
H14	C9	C10	H17	57.9°	60.0°
H14	C9	C11	H18	61.9°	64.4°
H14	C9	C11	H19	58.1°	175.6°
H14	C9	C11	H20	178.1°	55.6°
H15	C10	H16	H17	120.0°	120.0°
H18	C11	H19	H20	120.0°	120.0°
C12	N2	H21	C8	180.0°	180.0°
N2	C12	C13	C16	123.9°	119.9°
N2	C12	C13	H22	118.9°	119.9°
N2	C12	C16	H22	119.1°	120.0°
N2	C12	C13	C14	136.1°	65.1°
N2	C12	C13	H23	15.4°	55.0°
N2	C12	C13	H24	103.3°	175.0°
N2	C12	C16	O3	30.7°	0.0°
N2	C12	C16	N3	149.2°	180.0°
H21	N2	C12	C13	113.4°	95.0°
H21	N2	C12	C16	9.7°	25.0°
H21	N2	C12	H22	128.3°	145.0°
C13	C12	C16	H22	117.3°	120.1°
C12	C13	C14	H23	120.6°	120.1°
C12	C13	C14	H24	120.6°	120.0°
C12	C13	H23	H24	118.1°	120.0°
C12	C13	C14	S1	127.3°	179.9°
C12	C13	C14	H25	6.8°	59.9°
C12	C13	C14	H26	112.1°	60.0°
C13	C12	C16	O3	92.8°	120.0°
C13	C12	N2	C8	66.6°	85.0°
C13	C12	C16	N3	87.2°	60.1°
C16	C12	C13	C14	100.1°	175.0°
C16	C12	C13	H23	139.3°	64.9°
C16	C12	C13	H24	20.5°	55.1°
C12	C16	O3	N3	179.9°	180.0°
C12	C16	N3	C17	130.2°	180.0°
C12	C16	N3	H30	49.8°	0.0°
C16	C12	N2	C8	170.3°	155.0°
H22	C12	C13	C14	17.2°	54.9°
H22	C12	C13	H23	103.4°	175.0°
H22	C12	C13	H24	137.8°	65.1°
H22	C12	C16	O3	149.9°	119.9°
H22	C12	N2	C8	51.7°	35.0°
H22	C12	C16	N3	30.1°	60.0°
C14	C13	H23	H24	118.1°	120.0°
C13	C14	S1	H25	120.6°	120.0°
C13	C14	S1	H26	120.6°	119.9°
C13	C14	H25	H26	118.3°	119.9°
C13	C14	S1	C15	87.5°	180.0°
C13	C14	S1	O4	28.0°	65.5°
C13	C14	S1	O5	157.0°	65.5°
H23	C13	C14	S1	112.0°	60.0°
H23	C13	C14	H25	127.4°	180.0°
H23	C13	C14	H26	8.5°	60.0°
H24	C13	C14	S1	6.7°	60.0°
H24	C13	C14	H25	113.9°	60.1°
H24	C13	C14	H26	127.3°	180.0°
S1	C14	H25	H26	118.2°	120.1°
C14	S1	C15	O4	115.4°	114.5°
C14	S1	C15	O5	115.5°	114.5°
C14	S1	O4	O5	123.5°	125.0°
C14	S1	C15	H27	180.0°	60.0°
C14	S1	C15	H28	60.0°	180.0°
C14	S1	C15	H29	60.0°	60.0°
H25	C14	S1	C15	33.1°	60.0°
H25	C14	S1	O4	148.6°	174.5°
H25	C14	S1	O5	82.4°	54.5°
H26	C14	S1	C15	151.9°	60.0°
H26	C14	S1	O4	92.6°	54.5°
H26	C14	S1	O5	36.4°	174.5°
C15	S1	O4	O5	123.5°	125.0°
S1	C15	H27	H28	120.0°	120.0°
S1	C15	H27	H29	120.0°	120.0°
S1	C15	H28	H29	120.0°	120.0°
O4	S1	C15	H27	64.6°	54.5°
O4	S1	C15	H28	55.4°	65.5°
O4	S1	C15	H29	175.4°	174.5°
O5	S1	C15	H27	64.5°	174.5°
O5	S1	C15	H28	175.5°	65.5°
O5	S1	C15	H29	55.6°	54.5°
H27	C15	H28	H29	120.0°	120.0°
O3	C16	N3	C17	49.7°	0.0°
O3	C16	N3	H30	130.3°	180.0°
C24	C23	O7	H41	120.4°	120.0°
C24	C23	O7	H42	120.4°	120.0°
C23	C24	C22	C25	120.6°	120.0°
C23	C24	C22	H43	119.7°	120.0°
C23	C24	C25	H43	118.0°	120.0°
C23	C24	C22	O6	164.1°	30.0°
C23	C24	C22	C17	41.6°	150.0°
C24	C23	H41	H42	118.9°	120.0°
C23	C24	C25	H44	180.0°	60.0°
C23	C24	C25	H45	60.0°	180.0°
C23	C24	C25	H46	60.0°	60.0°
C24	C23	O7	H47	74.9°	179.9°
O7	C23	C24	C22	112.7°	175.0°
O7	C23	C24	C25	9.4°	65.0°
O7	C23	H41	H42	118.9°	119.9°
O7	C23	C24	H43	127.5°	55.0°
C22	C24	C25	H43	119.6°	120.0°
C24	C22	O6	C17	124.2°	179.9°
C24	C22	C17	C18	159.6°	74.9°
C24	C22	C17	N3	75.5°	165.0°
C24	C22	C17	H31	42.8°	45.0°
C22	C24	C23	H41	7.7°	65.0°
C22	C24	C23	H42	127.0°	55.0°
C22	C24	C25	H44	57.5°	180.0°
C22	C24	C25	H45	62.5°	60.0°
C22	C24	C25	H46	177.6°	60.0°
C25	C24	C22	O6	43.4°	89.9°
C25	C24	C22	C17	79.0°	90.0°
C25	C24	C23	H41	129.8°	55.0°
C25	C24	C23	H42	111.0°	175.0°
C24	C25	H44	H45	120.0°	120.0°
C24	C25	H44	H46	120.0°	120.0°
C24	C25	H45	H46	120.0°	120.0°
C21	C19	C18	C20	123.4°	120.0°
C21	C19	C18	H34	118.4°	119.9°
C21	C19	C20	H34	118.3°	120.0°
C21	C19	C18	C17	175.0°	65.0°
C21	C19	C18	H32	54.1°	175.0°
C21	C19	C18	H33	64.1°	55.0°
C21	C19	C20	H35	180.0°	60.0°
C21	C19	C20	H36	60.0°	60.0°
C21	C19	C20	H37	60.0°	180.0°
C19	C21	H38	H39	120.0°	120.0°
C19	C21	H38	H40	120.0°	120.0°
C19	C21	H39	H40	120.0°	120.0°
O6	C22	C17	C18	78.0°	105.0°
O6	C22	C17	N3	46.8°	15.1°
O6	C22	C17	H31	165.1°	135.1°
O6	C22	C24	H43	76.2°	150.0°
C22	C17	C18	C19	109.6°	175.0°
C22	C17	C18	N3	127.4°	120.1°
C22	C17	C18	H31	116.9°	119.9°
C22	C17	N3	H31	117.8°	120.0°
C22	C17	N3	H30	47.1°	25.0°
C22	C17	C18	H32	11.3°	65.1°
C22	C17	C18	H33	129.5°	54.9°
C17	C22	C24	H43	161.4°	30.0°
C22	C17	N3	C16	132.9°	155.0°
C18	C19	C20	H34	118.1°	120.0°
C19	C18	C17	H32	120.8°	120.0°
C19	C18	C17	H33	120.9°	120.0°
C19	C18	C17	N3	123.1°	65.0°
C19	C18	C17	H31	7.3°	55.0°
C19	C18	H32	H33	117.3°	120.0°
C18	C19	C20	H35	56.4°	60.0°
C18	C19	C20	H36	63.7°	180.0°
C18	C19	C20	H37	176.3°	60.1°
C18	C19	C21	H38	180.0°	60.0°
C18	C19	C21	H39	60.0°	180.0°
C18	C19	C21	H40	60.0°	60.0°
C20	C19	C18	C17	61.6°	175.0°
C20	C19	C18	H32	177.5°	55.0°
C20	C19	C18	H33	59.2°	65.0°
C19	C20	H35	H36	120.0°	120.0°
C19	C20	H35	H37	120.0°	120.0°
C19	C20	H36	H37	120.0°	120.0°
C20	C19	C21	H38	56.6°	180.0°
C20	C19	C21	H39	63.4°	60.0°
C20	C19	C21	H40	176.6°	60.0°
C18	C17	N3	H31	115.2°	120.0°
C18	C17	N3	H30	79.9°	95.0°
C17	C18	H32	H33	117.4°	120.0°
C17	C18	C19	H34	56.6°	54.9°
C18	C17	N3	C16	100.1°	85.0°
C17	N3	H30	C16	180.0°	180.0°
N3	C17	C18	H32	116.1°	55.0°
N3	C17	C18	H33	2.2°	175.0°
H30	N3	C17	H31	164.9°	145.0°
H31	C17	C18	H32	128.1°	175.0°
H31	C17	C18	H33	113.6°	65.0°
H31	C17	N3	C16	15.1°	35.0°
H32	C18	C19	H34	64.3°	65.0°
H33	C18	C19	H34	177.4°	175.0°
H34	C19	C20	H35	61.7°	180.0°
H34	C19	C20	H36	178.3°	60.0°
H34	C19	C20	H37	58.3°	60.0°
H34	C19	C21	H38	61.7°	59.9°
H34	C19	C21	H39	178.3°	60.1°
H34	C19	C21	H40	58.3°	180.0°
H35	C20	H36	H37	120.0°	120.0°
H38	C21	H39	H40	120.0°	120.0°
H41	C23	C24	H43	112.1°	175.0°
H41	C23	O7	H47	45.5°	60.0°
H42	C23	C24	H43	7.1°	65.0°
H42	C23	O7	H47	164.8°	59.9°
H43	C24	C25	H44	62.0°	59.9°
H43	C24	C25	H45	178.0°	60.0°
H43	C24	C25	H46	58.0°	180.0°
H44	C25	H45	H46	120.0°	120.0°

Release date:	2026-11-04
Last modified:	2026-11-04
Processing site:	RCSB