PRD_002574

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C5	sing	1.43Å	1.44Å
C1	O1	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.10Å
N1	C2	sing	1.47Å	1.45Å
N1	H3	sing	0.97Å	1.00Å
C3	C4	sing	1.53Å	1.52Å
C3	O2	sing	1.43Å	1.42Å
C3	H4	sing	1.09Å	1.10Å
O2	H5	sing	0.97Å	0.95Å
C4	O3	sing	1.43Å	1.42Å
C4	H6	sing	1.09Å	1.10Å
O3	H7	sing	0.97Å	0.95Å
C5	C4	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.51Å
C5	H8	sing	1.09Å	1.10Å
C6	O4	sing	1.43Å	1.43Å
C6	H9	sing	1.09Å	1.10Å
C7	N1	sing	1.35Å	1.34Å
O5	C7	doub	1.21Å	1.23Å
C8	C7	sing	1.51Å	1.50Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C9	C10	sing	1.51Å	1.54Å
C9	O6	doub	1.21Å	1.25Å
C9	O7	sing	1.34Å	1.24Å
C10	C11	sing	1.53Å	1.52Å
C10	O9	sing	1.43Å	1.42Å
C11	C12	sing	1.53Å	1.53Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C12	C13	sing	1.53Å	1.53Å
C12	O8	sing	1.43Å	1.43Å
C12	H16	sing	1.09Å	1.10Å
C13	C14	sing	1.53Å	1.53Å
C13	N2	sing	1.47Å	1.45Å
C13	H17	sing	1.09Å	1.10Å
C14	C15	sing	1.53Å	1.53Å
C14	O9	sing	1.43Å	1.44Å
C14	H18	sing	1.09Å	1.10Å
C15	C16	sing	1.53Å	1.53Å
C15	O10	sing	1.43Å	1.42Å
C15	H19	sing	1.09Å	1.10Å
C16	C17	sing	1.53Å	1.52Å
C16	O11	sing	1.43Å	1.43Å
C16	H20	sing	1.09Å	1.10Å
C17	O12	sing	1.43Å	1.42Å
C17	H21	sing	1.09Å	1.10Å
C17	H22	sing	1.09Å	1.10Å
C18	C19	sing	1.51Å	1.50Å
C18	N2	sing	1.35Å	1.34Å
C18	O13	doub	1.21Å	1.23Å
C19	H23	sing	1.09Å	1.10Å
C19	H24	sing	1.09Å	1.10Å
C19	H25	sing	1.09Å	1.10Å
N2	H26	sing	0.97Å	1.00Å
O7	H27	sing	0.97Å	0.95Å
O8	H28	sing	0.97Å	0.95Å
O10	H29	sing	0.97Å	0.95Å
O11	H30	sing	0.97Å	0.95Å
O12	H31	sing	0.97Å	0.95Å
N3	C20	sing	1.47Å	1.49Å
N3	H32	sing	1.01Å	1.00Å
N3	H33	sing	1.01Å	1.00Å
C20	C21	sing	1.51Å	1.54Å
C20	C22	sing	1.53Å	1.53Å
C20	H34	sing	1.09Å	1.10Å
C21	O14	doub	1.21Å	1.25Å
C21	O16	sing	1.34Å	1.26Å
C22	O15	sing	1.43Å	1.43Å
C22	C23	sing	1.53Å	1.51Å
C22	H35	sing	1.09Å	1.10Å
C23	H36	sing	1.09Å	1.10Å
C23	H37	sing	1.09Å	1.10Å
C23	H38	sing	1.09Å	1.10Å
O16	H39	sing	0.97Å	0.95Å
O4	C10	sing	1.43Å	1.40Å
C1	O15	sing	1.43Å	1.41Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	O1	C1	112.6°	114.1°
O1	C5	C4	109.5°	109.4°
O1	C5	C6	107.0°	109.5°
O1	C5	H8	109.8°	109.4°
O1	C1	C2	110.7°	109.4°
O1	C1	H1	110.1°	109.5°
O1	C1	O15	109.2°	109.5°
C2	C1	H1	108.6°	109.5°
C1	C2	C3	110.5°	109.2°
C1	C2	H2	108.1°	109.5°
C1	C2	N1	110.5°	109.5°
C2	C1	O15	107.9°	109.5°
H1	C1	O15	110.2°	109.5°
C3	C2	H2	108.0°	109.5°
C3	C2	N1	110.7°	109.5°
C2	C3	C4	110.0°	109.0°
C2	C3	O2	109.5°	109.5°
C2	C3	H4	108.6°	109.6°
H2	C2	N1	109.0°	109.5°
C2	N1	H3	118.5°	119.9°
C2	N1	C7	123.1°	120.0°
H3	N1	C7	118.4°	120.0°
C4	C3	O2	110.2°	109.5°
C4	C3	H4	108.6°	109.5°
C3	C4	O3	110.2°	109.5°
C3	C4	H6	108.8°	109.5°
C3	C4	C5	109.6°	109.2°
O2	C3	H4	109.9°	109.7°
C3	O2	H5	109.5°	114.0°
O3	C4	H6	110.1°	109.5°
C4	O3	H7	109.5°	114.0°
O3	C4	C5	109.3°	109.5°
H6	C4	C5	108.8°	109.6°
C4	C5	C6	113.0°	109.5°
C4	C5	H8	108.6°	109.5°
C6	C5	H8	108.8°	109.5°
C5	C6	O4	107.2°	109.5°
C5	C6	H9	110.0°	109.5°
C5	C6	H13	110.0°	109.4°
O4	C6	H9	110.0°	109.5°
O4	C6	H13	110.0°	109.5°
C6	O4	C10	115.9°	114.0°
H9	C6	H13	109.5°	109.5°
N1	C7	O5	122.0°	120.0°
N1	C7	C8	116.0°	120.0°
O5	C7	C8	122.0°	120.0°
C7	C8	H10	109.5°	109.4°
C7	C8	H11	109.5°	109.5°
C7	C8	H12	109.5°	109.4°
H10	C8	H11	109.5°	109.5°
H10	C8	H12	109.5°	109.6°
H11	C8	H12	109.4°	109.4°
C10	C9	O6	115.6°	120.0°
C10	C9	O7	117.6°	120.0°
C9	C10	C11	113.1°	109.5°
C9	C10	O9	108.9°	109.5°
C9	C10	O4	107.5°	109.5°
O6	C9	O7	126.8°	120.0°
C9	O7	H27	109.5°	117.0°
C11	C10	O9	111.3°	109.4°
C10	C11	C12	111.0°	109.2°
C10	C11	H14	109.1°	109.5°
C10	C11	H15	109.1°	109.5°
C11	C10	O4	105.3°	109.5°
C10	O9	C14	116.5°	114.1°
O9	C10	O4	110.5°	109.5°
C12	C11	H14	109.1°	109.6°
C12	C11	H15	109.1°	109.5°
C11	C12	C13	109.2°	109.1°
C11	C12	O8	110.2°	109.6°
C11	C12	H16	108.9°	109.6°
H14	C11	H15	109.5°	109.5°
C13	C12	O8	109.4°	109.5°
C13	C12	H16	108.9°	109.5°
C12	C13	C14	109.6°	109.2°
C12	C13	N2	110.3°	109.6°
C12	C13	H17	108.2°	109.5°
O8	C12	H16	110.3°	109.6°
C12	O8	H28	109.5°	114.0°
C14	C13	N2	111.4°	109.5°
C14	C13	H17	108.2°	109.5°
C13	C14	C15	114.4°	109.5°
C13	C14	O9	109.8°	109.4°
C13	C14	H18	108.1°	109.5°
N2	C13	H17	109.1°	109.6°
C13	N2	C18	123.1°	120.0°
C13	N2	H26	118.4°	120.0°
C15	C14	O9	107.0°	109.5°
C15	C14	H18	108.1°	109.5°
C14	C15	C16	113.2°	109.5°
C14	C15	O10	108.9°	109.5°
C14	C15	H19	108.1°	109.4°
O9	C14	H18	109.3°	109.4°
C16	C15	O10	109.1°	109.5°
C16	C15	H19	108.0°	109.4°
C15	C16	C17	112.4°	109.5°
C15	C16	O11	109.7°	109.5°
C15	C16	H20	108.0°	109.4°
O10	C15	H19	109.4°	109.5°
C15	O10	H29	109.5°	113.9°
C17	C16	O11	109.1°	109.5°
C17	C16	H20	108.2°	109.5°
C16	C17	O12	111.2°	109.5°
C16	C17	H21	109.1°	109.4°
C16	C17	H22	109.0°	109.4°
O11	C16	H20	109.4°	109.5°
C16	O11	H30	109.5°	113.9°
O12	C17	H21	109.0°	109.5°
O12	C17	H22	109.0°	109.5°
C17	O12	H31	109.5°	114.0°
H21	C17	H22	109.5°	109.5°
C19	C18	N2	116.0°	120.0°
C19	C18	O13	122.0°	120.0°
C18	C19	H23	109.5°	109.4°
C18	C19	H24	109.5°	109.5°
C18	C19	H25	109.4°	109.5°
N2	C18	O13	122.0°	120.1°
C18	N2	H26	118.4°	120.1°
H23	C19	H24	109.5°	109.5°
H23	C19	H25	109.5°	109.5°
H24	C19	H25	109.5°	109.5°
C20	N3	H32	109.5°	111.0°
C20	N3	H33	109.5°	111.1°
N3	C20	C21	109.1°	109.5°
N3	C20	C22	111.8°	109.5°
N3	C20	H34	108.5°	109.5°
H32	N3	H33	109.5°	111.0°
C21	C20	C22	111.2°	109.5°
C21	C20	H34	108.0°	109.5°
C20	C21	O14	117.0°	120.0°
C20	C21	O16	117.1°	120.0°
C22	C20	H34	108.1°	109.5°
C20	C22	O15	106.5°	109.5°
C20	C22	C23	114.0°	109.5°
C20	C22	H35	108.4°	109.5°
O14	C21	O16	125.8°	120.1°
C21	O16	H39	109.5°	117.0°
O15	C22	C23	109.5°	109.4°
O15	C22	H35	109.7°	109.5°
C22	O15	C1	115.2°	114.0°
C23	C22	H35	108.7°	109.5°
C22	C23	H36	109.5°	109.5°
C22	C23	H37	109.5°	109.5°
C22	C23	H38	109.5°	109.4°
H36	C23	H37	109.5°	109.4°
H36	C23	H38	109.5°	109.5°
H37	C23	H38	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	O1	C1	C2	61.2°	61.1°
C5	O1	C1	H1	178.7°	178.9°
O1	C5	C4	C3	58.3°	57.6°
O1	C5	C4	O3	62.6°	62.3°
O1	C5	C4	H6	177.1°	177.5°
O1	C5	C4	C6	119.2°	120.0°
O1	C5	C4	H8	120.0°	119.9°
O1	C5	C6	H8	118.7°	120.0°
O1	C5	C6	O4	91.6°	65.0°
O1	C5	C6	H9	148.7°	175.0°
O1	C5	C6	H13	28.0°	55.0°
C5	O1	C1	O15	57.6°	58.8°
O1	C1	C2	H1	121.0°	120.0°
O1	C1	C2	O15	119.5°	119.9°
O1	C1	H1	O15	120.6°	120.0°
O1	C1	C2	C3	55.1°	57.6°
O1	C1	C2	H2	62.9°	62.3°
O1	C1	C2	N1	177.9°	177.5°
C1	O1	C5	C4	62.9°	61.1°
C1	O1	C5	C6	174.3°	178.8°
C1	O1	C5	H8	56.3°	58.8°
O1	C1	O15	C22	116.9°	70.1°
C2	C1	H1	O15	118.0°	120.0°
C1	C2	C3	H2	118.0°	119.9°
C1	C2	C3	N1	122.8°	119.9°
C1	C2	H2	N1	120.2°	120.1°
C1	C2	N1	H3	46.2°	95.0°
C1	C2	C3	C4	52.2°	57.0°
C1	C2	C3	O2	173.5°	176.8°
C1	C2	C3	H4	66.5°	62.9°
C1	C2	N1	C7	133.8°	84.9°
C2	C1	O15	C22	122.7°	170.1°
H1	C1	C2	C3	176.1°	177.6°
H1	C1	C2	H2	58.1°	57.7°
H1	C1	C2	N1	61.1°	62.4°
H1	C1	O15	C22	4.2°	50.0°
C3	C2	H2	N1	120.3°	120.2°
C3	C2	N1	H3	76.5°	24.7°
C2	C3	C4	O2	120.8°	119.9°
C2	C3	C4	H4	118.7°	119.9°
C2	C3	O2	H4	119.2°	120.3°
C2	C3	O2	H5	180.0°	180.0°
C2	C3	C4	O3	66.3°	62.9°
C2	C3	C4	H6	172.8°	176.9°
C2	C3	C4	C5	54.0°	57.0°
C3	C2	N1	C7	103.5°	155.4°
C3	C2	C1	O15	64.4°	62.3°
H2	C2	N1	H3	164.8°	144.8°
H2	C2	C3	C4	65.8°	62.9°
H2	C2	C3	O2	55.5°	56.9°
H2	C2	C3	H4	175.5°	177.2°
H2	C2	N1	C7	15.2°	35.2°
H2	C2	C1	O15	177.6°	177.7°
C2	N1	H3	C7	180.0°	180.0°
N1	C2	C3	C4	175.0°	176.9°
N1	C2	C3	O2	63.8°	63.3°
N1	C2	C3	H4	56.2°	57.0°
C2	N1	C7	O5	0.0°	0.1°
C2	N1	C7	C8	180.0°	180.0°
N1	C2	C1	O15	58.4°	57.6°
H3	N1	C7	O5	180.0°	180.0°
H3	N1	C7	C8	0.0°	0.0°
C4	C3	O2	H4	119.7°	120.2°
C4	C3	O2	H5	58.9°	60.5°
C3	C4	O3	H6	120.0°	120.1°
C3	C4	O3	C5	120.6°	119.7°
C3	C4	H6	C5	119.4°	119.7°
C3	C4	O3	H7	180.0°	180.0°
C3	C4	C5	C6	177.5°	177.6°
C3	C4	C5	H8	61.7°	62.4°
O2	C3	C4	O3	54.5°	56.9°
O2	C3	C4	H6	66.3°	63.2°
O2	C3	C4	C5	174.8°	176.8°
H4	C3	O2	H5	60.8°	59.7°
H4	C3	C4	O3	175.0°	177.2°
H4	C3	C4	H6	54.1°	57.1°
H4	C3	C4	C5	64.7°	62.9°
O3	C4	H6	C5	119.7°	120.2°
O3	C4	C5	C6	56.6°	57.7°
O3	C4	C5	H8	177.4°	177.7°
H6	C4	O3	H7	60.0°	59.9°
H6	C4	C5	C6	63.6°	62.5°
H6	C4	C5	H8	57.2°	57.6°
H7	O3	C4	C5	59.4°	60.3°
C4	C5	C6	H8	120.7°	120.1°
C4	C5	C6	O4	147.7°	175.1°
C4	C5	C6	H9	28.1°	55.0°
C4	C5	C6	H13	92.6°	65.0°
C5	C6	O4	H9	119.7°	120.0°
C5	C6	O4	H13	119.6°	119.9°
C5	C6	H9	H13	121.0°	119.9°
C5	C6	O4	C10	153.3°	174.6°
H8	C5	C6	O4	27.0°	55.0°
H8	C5	C6	H9	92.7°	65.1°
H8	C5	C6	H13	146.7°	175.0°
O4	C6	H9	H13	121.0°	120.0°
C6	O4	C10	C9	81.0°	177.2°
C6	O4	C10	C11	158.1°	62.8°
C6	O4	C10	O9	37.8°	57.1°
H9	C6	O4	C10	87.0°	54.6°
N1	C7	O5	C8	179.9°	179.9°
N1	C7	C8	H10	179.9°	0.1°
N1	C7	C8	H11	59.9°	120.1°
N1	C7	C8	H12	60.0°	120.0°
O5	C7	C8	H10	0.0°	180.0°
O5	C7	C8	H11	120.0°	60.0°
O5	C7	C8	H12	120.0°	59.9°
C7	C8	H10	H11	120.0°	120.0°
C7	C8	H10	H12	120.0°	120.0°
C7	C8	H11	H12	120.0°	119.9°
H10	C8	H11	H12	120.0°	120.1°
H13	C6	O4	C10	33.7°	65.5°
C10	C9	O6	O7	178.8°	179.9°
C9	C10	C11	O9	123.0°	120.0°
C9	C10	C11	O4	117.1°	120.0°
C9	C10	O9	O4	117.9°	120.0°
C9	C10	C11	C12	70.8°	62.4°
C9	C10	C11	H14	169.0°	177.6°
C9	C10	C11	H15	49.4°	57.5°
C9	C10	O9	C14	70.9°	58.9°
C10	C9	O7	H27	178.8°	180.0°
O6	C9	C10	C11	33.8°	123.9°
O6	C9	C10	O9	158.2°	116.2°
O6	C9	O7	H27	0.0°	0.1°
O6	C9	C10	O4	82.0°	3.9°
O7	C9	C10	C11	147.2°	56.2°
O7	C9	C10	O9	22.9°	63.7°
O7	C9	C10	O4	96.9°	176.2°
C11	C10	O9	O4	116.7°	120.0°
C10	C11	C12	H14	120.2°	120.0°
C10	C11	C12	H15	120.3°	119.9°
C10	C11	H14	H15	119.3°	120.1°
C10	C11	C12	C13	54.8°	57.0°
C10	C11	C12	O8	175.0°	176.9°
C10	C11	C12	H16	63.9°	62.9°
C11	C10	O9	C14	54.5°	61.1°
O9	C10	C11	C12	52.2°	57.6°
O9	C10	C11	H14	68.0°	62.4°
O9	C10	C11	H15	172.5°	177.5°
C10	O9	C14	C13	56.8°	61.1°
C10	O9	C14	C15	178.4°	178.9°
C10	O9	C14	H18	61.6°	58.8°
C12	C11	H14	H15	119.3°	120.2°
C11	C12	C13	O8	120.6°	119.9°
C11	C12	C13	H16	118.8°	119.9°
C11	C12	O8	H16	120.2°	120.3°
C11	C12	C13	C14	57.2°	57.0°
C11	C12	C13	N2	179.8°	176.9°
C11	C12	C13	H17	60.6°	62.9°
C11	C12	O8	H28	180.0°	60.0°
C12	C11	C10	O4	172.1°	177.6°
H14	C11	C12	C13	65.4°	62.9°
H14	C11	C12	O8	54.7°	56.9°
H14	C11	C12	H16	175.9°	177.2°
H14	C11	C10	O4	51.9°	57.6°
H15	C11	C12	C13	175.1°	176.9°
H15	C11	C12	O8	64.8°	63.3°
H15	C11	C12	H16	56.3°	57.0°
H15	C11	C10	O4	67.7°	62.5°
C13	C12	O8	H16	119.7°	120.2°
C12	C13	C14	N2	122.3°	120.0°
C12	C13	C14	H17	117.7°	119.9°
C12	C13	N2	H17	118.7°	120.2°
C12	C13	C14	C15	177.0°	177.5°
C12	C13	C14	O9	56.7°	57.5°
C12	C13	C14	H18	62.5°	62.4°
C12	C13	N2	C18	140.0°	85.0°
C12	C13	N2	H26	39.9°	95.0°
C13	C12	O8	H28	60.0°	179.6°
O8	C12	C13	C14	177.8°	176.9°
O8	C12	C13	N2	59.2°	63.2°
O8	C12	C13	H17	60.1°	57.0°
H16	C12	C13	C14	61.6°	62.9°
H16	C12	C13	N2	61.4°	57.0°
H16	C12	C13	H17	179.3°	177.2°
H16	C12	O8	H28	59.8°	60.2°
C14	C13	N2	H17	119.4°	120.1°
C13	C14	C15	O9	121.8°	120.0°
C13	C14	C15	H18	120.5°	120.0°
C13	C14	O9	H18	118.4°	119.9°
C13	C14	C15	C16	176.2°	175.0°
C13	C14	C15	O10	54.6°	55.0°
C13	C14	C15	H19	64.2°	65.0°
C14	C13	N2	C18	98.0°	155.3°
C14	C13	N2	H26	82.0°	24.7°
N2	C13	C14	C15	60.6°	62.5°
N2	C13	C14	O9	179.1°	177.5°
N2	C13	C14	H18	59.9°	57.6°
C13	N2	C18	C19	179.1°	179.9°
C13	N2	C18	H26	180.0°	179.9°
C13	N2	C18	O13	1.7°	0.0°
H17	C13	C14	C15	59.3°	57.6°
H17	C13	C14	O9	61.0°	62.4°
H17	C13	C14	H18	179.8°	177.7°
H17	C13	N2	C18	21.3°	35.2°
H17	C13	N2	H26	158.6°	144.8°
C15	C14	O9	H18	116.8°	120.1°
C14	C15	C16	O10	121.4°	120.0°
C14	C15	C16	H19	119.7°	119.9°
C14	C15	O10	H19	117.9°	120.0°
C14	C15	C16	C17	176.8°	180.0°
C14	C15	C16	O11	55.3°	60.0°
C14	C15	C16	H20	63.9°	60.1°
C14	C15	O10	H29	76.5°	60.0°
O9	C14	C15	C16	54.3°	55.1°
O9	C14	C15	O10	67.2°	65.0°
O9	C14	C15	H19	174.0°	175.0°
C14	O9	C10	O4	171.2°	178.9°
H18	C14	C15	C16	63.3°	64.9°
H18	C14	C15	O10	175.1°	175.0°
H18	C14	C15	H19	56.3°	55.0°
C16	C15	O10	H19	118.0°	120.0°
C15	C16	C17	O11	121.8°	120.1°
C15	C16	C17	H20	119.2°	120.0°
C15	C16	O11	H20	118.3°	120.0°
C15	C16	C17	O12	57.8°	175.0°
C15	C16	C17	H21	178.1°	55.0°
C15	C16	C17	H22	62.4°	65.0°
C16	C15	O10	H29	159.5°	60.0°
C15	C16	O11	H30	180.0°	60.0°
O10	C15	C16	C17	61.7°	60.0°
O10	C15	C16	O11	176.7°	NaN°
O10	C15	C16	H20	57.6°	60.0°
H19	C15	C16	C17	57.1°	60.0°
H19	C15	C16	O11	64.4°	60.0°
H19	C15	C16	H20	176.4°	180.0°
H19	C15	O10	H29	41.5°	180.0°
C17	C16	O11	H20	118.2°	120.0°
C16	C17	O12	H21	120.3°	119.9°
C16	C17	O12	H22	120.2°	120.0°
C16	C17	H21	H22	119.2°	119.9°
C17	C16	O11	H30	56.5°	60.0°
C16	C17	O12	H31	180.0°	180.0°
O11	C16	C17	O12	64.0°	65.0°
O11	C16	C17	H21	56.2°	175.1°
O11	C16	C17	H22	175.7°	55.1°
H20	C16	C17	O12	177.0°	55.0°
H20	C16	C17	H21	62.7°	65.0°
H20	C16	C17	H22	56.8°	175.1°
H20	C16	O11	H30	61.7°	180.0°
O12	C17	H21	H22	119.2°	120.1°
H21	C17	O12	H31	59.7°	60.1°
H22	C17	O12	H31	59.8°	60.0°
C19	C18	N2	O13	179.2°	179.9°
C18	C19	H23	H24	120.0°	120.0°
C18	C19	H23	H25	120.0°	120.0°
C18	C19	H24	H25	120.0°	120.0°
C19	C18	N2	H26	0.9°	0.1°
N2	C18	C19	H23	179.2°	90.0°
N2	C18	C19	H24	60.8°	150.0°
N2	C18	C19	H25	59.2°	29.9°
O13	C18	C19	H23	0.0°	90.1°
O13	C18	C19	H24	120.0°	30.0°
O13	C18	C19	H25	120.0°	150.0°
O13	C18	N2	H26	178.3°	180.0°
H23	C19	H24	H25	120.0°	120.0°
C20	N3	H32	H33	120.0°	124.0°
N3	C20	C21	C22	123.8°	120.0°
N3	C20	C21	H34	117.8°	120.0°
N3	C20	C22	H34	119.4°	120.0°
N3	C20	C21	O14	38.5°	20.0°
N3	C20	C21	O16	140.9°	160.1°
N3	C20	C22	O15	108.8°	65.0°
N3	C20	C22	C23	130.3°	55.0°
N3	C20	C22	H35	9.1°	175.0°
H32	N3	C20	C21	180.0°	64.0°
H32	N3	C20	C22	56.5°	176.0°
H32	N3	C20	H34	62.6°	56.0°
H33	N3	C20	C21	60.0°	60.0°
H33	N3	C20	C22	176.6°	60.0°
H33	N3	C20	H34	57.4°	180.0°
C21	C20	C22	H34	118.3°	120.0°
C20	C21	O14	O16	179.3°	179.9°
C21	C20	C22	O15	128.9°	55.0°
C21	C20	C22	C23	8.1°	175.0°
C21	C20	C22	H35	113.1°	65.0°
C20	C21	O16	H39	179.3°	180.0°
C22	C20	C21	O14	85.4°	100.0°
C22	C20	C21	O16	95.3°	79.9°
C20	C22	O15	C23	123.7°	120.0°
C20	C22	O15	H35	117.1°	120.1°
C20	C22	C23	H35	121.0°	120.1°
C20	C22	C23	H36	180.0°	60.0°
C20	C22	C23	H37	60.0°	180.0°
C20	C22	C23	H38	60.0°	60.0°
C20	C22	O15	C1	123.1°	150.0°
H34	C20	C21	O14	156.2°	140.0°
H34	C20	C21	O16	23.1°	40.1°
H34	C20	C22	O15	10.6°	175.0°
H34	C20	C22	C23	110.3°	65.0°
H34	C20	C22	H35	128.5°	55.0°
O14	C21	O16	H39	0.0°	0.1°
O15	C22	C23	H35	119.8°	120.0°
O15	C22	C23	H36	60.8°	60.0°
O15	C22	C23	H37	179.1°	60.0°
O15	C22	C23	H38	59.2°	180.0°
C22	C23	H36	H37	120.0°	120.0°
C22	C23	H36	H38	120.0°	120.0°
C22	C23	H37	H38	120.0°	120.0°
C23	C22	O15	C1	113.2°	90.0°
H35	C22	C23	H36	59.0°	179.9°
H35	C22	C23	H37	61.1°	60.0°
H35	C22	C23	H38	179.0°	60.0°
H35	C22	O15	C1	6.0°	29.9°
H36	C23	H37	H38	120.0°	120.0°

Release date:	2025-02-12
Last modified:	2025-02-12
Processing site:	RCSB