PRD_001135

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.22Å	1.33Å
C1	O2	sing	1.35Å	1.23Å
O2	C2	sing	1.45Å	52.79Å
C2	C3	sing	1.51Å	0.00Å
C2	H1	sing	1.09Å	0.00Å
C2	H2	sing	1.09Å	0.00Å
C3	C4	doub	1.38Å	0.00Å	Aromatic
C3	C8	sing	1.38Å	0.00Å	Aromatic
C4	C5	sing	1.38Å	0.00Å	Aromatic
C4	H3	sing	1.08Å	0.00Å
C5	C6	doub	1.38Å	0.00Å	Aromatic
C5	H4	sing	1.08Å	0.00Å
C6	C7	sing	1.38Å	0.00Å	Aromatic
C6	H5	sing	1.08Å	0.00Å
C7	C8	doub	1.38Å	0.00Å	Aromatic
C7	H6	sing	1.08Å	0.00Å
C8	H7	sing	1.08Å	0.00Å
N1	C9	sing	1.47Å	1.47Å
N1	H8	sing	0.97Å	1.00Å
C9	C10	sing	1.51Å	1.54Å
C9	C11	sing	1.53Å	1.54Å
C9	H9	sing	1.09Å	1.10Å
C10	O3	doub	1.21Å	1.24Å
C11	C12	sing	1.51Å	1.51Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	O4	doub	1.21Å	1.24Å
C12	N2	sing	1.35Å	1.32Å
N2	H12	sing	0.97Å	1.00Å
N2	H13	sing	0.97Å	1.00Å
N3	C13	sing	1.47Å	1.48Å
N3	C17	sing	1.47Å	1.48Å
C13	C14	sing	1.51Å	1.53Å
C13	C15	sing	1.54Å	1.54Å
C13	H14	sing	1.09Å	1.10Å
C14	O5	doub	1.21Å	1.24Å
C15	C16	sing	1.55Å	1.47Å
C15	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
C16	C17	sing	1.55Å	1.51Å
C16	H17	sing	1.09Å	1.10Å
C16	H18	sing	1.09Å	1.10Å
C17	H19	sing	1.09Å	1.10Å
C17	H20	sing	1.09Å	1.10Å
N4	C18	sing	1.46Å	1.46Å
N4	H21	sing	0.97Å	1.00Å
C18	C19	sing	1.51Å	1.54Å
C18	C20	sing	1.53Å	1.54Å
C18	H22	sing	1.09Å	1.10Å
C19	O6	doub	1.21Å	1.23Å
C20	C21	sing	1.53Å	1.54Å
C20	H23	sing	1.09Å	1.10Å
C20	H24	sing	1.09Å	1.10Å
C21	C22	sing	1.51Å	1.51Å
C21	H25	sing	1.09Å	1.10Å
C21	H26	sing	1.09Å	1.10Å
C22	O7	doub	1.21Å	1.23Å
C22	N5	sing	1.35Å	1.32Å
N5	H27	sing	0.97Å	1.00Å
N5	H28	sing	0.97Å	1.00Å
N6	C23	sing	1.47Å	1.48Å
N6	H37	sing	0.97Å	1.00Å
C26	C23	sing	1.53Å	1.53Å
C23	C24	sing	1.53Å	1.54Å
C23	H29	sing	1.09Å	1.10Å
C25	C24	sing	1.53Å	1.53Å
C24	O8	sing	1.43Å	1.43Å
C24	H30	sing	1.09Å	1.10Å
H33	C25	sing	1.09Å	1.10Å
C25	H34	sing	1.09Å	1.10Å
C25	H32	sing	1.09Å	1.10Å
H31	O8	sing	0.97Å	0.95Å
S1	C26	sing	1.81Å	1.84Å
S1	H38	sing	1.34Å	1.30Å
H35	C26	sing	1.09Å	1.10Å
C26	H36	sing	1.09Å	1.10Å
C1	N1	sing	1.35Å	1.33Å
C10	N3	sing	1.35Å	1.36Å
C14	N4	sing	1.35Å	1.36Å
C19	N6	sing	1.35Å	1.35Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	121.1°	120.0°
O1	C1	N1	111.0°	120.0°
C1	O2	C2	145.8°	117.0°
O2	C1	N1	127.9°	120.0°
O2	C2	C3	90.0°	109.5°
O2	C2	H1	90.0°	109.5°
O2	C2	H2	90.0°	109.5°
C3	C2	H1	90.0°	109.4°
C3	C2	H2	90.0°	109.4°
C2	C3	C4	90.0°	120.0°
C2	C3	C8	90.0°	120.0°
H1	C2	H2	90.0°	109.5°
C4	C3	C8	90.0°	120.0°
C3	C4	C5	90.0°	120.0°
C3	C4	H3	90.0°	120.0°
C3	C8	C7	90.0°	120.0°
C3	C8	H7	90.0°	120.0°
C5	C4	H3	90.0°	120.0°
C4	C5	C6	90.0°	120.0°
C4	C5	H4	90.0°	120.0°
C6	C5	H4	90.0°	120.0°
C5	C6	C7	90.0°	120.0°
C5	C6	H5	90.0°	120.0°
C7	C6	H5	90.0°	120.0°
C6	C7	C8	90.0°	120.0°
C6	C7	H6	90.0°	120.0°
C8	C7	H6	90.0°	120.0°
C7	C8	H7	90.0°	120.0°
C9	N1	H8	119.0°	120.0°
N1	C9	C10	109.0°	109.4°
N1	C9	C11	110.8°	109.5°
N1	C9	H9	109.6°	109.4°
C9	N1	C1	122.0°	120.0°
H8	N1	C1	119.0°	120.0°
C10	C9	C11	110.2°	109.5°
C10	C9	H9	108.7°	109.5°
C9	C10	O3	118.5°	120.1°
C9	C10	N3	120.1°	120.0°
C11	C9	H9	108.7°	109.5°
C9	C11	C12	115.3°	109.5°
C9	C11	H10	108.0°	109.5°
C9	C11	H11	108.0°	109.5°
O3	C10	N3	121.5°	120.0°
C12	C11	H10	108.0°	109.5°
C12	C11	H11	108.0°	109.5°
C11	C12	O4	122.3°	120.0°
C11	C12	N2	116.4°	120.0°
H10	C11	H11	109.5°	109.4°
O4	C12	N2	121.3°	120.0°
C12	N2	H12	120.0°	120.0°
C12	N2	H13	120.0°	119.9°
H12	N2	H13	120.0°	120.0°
C13	N3	C17	111.6°	108.7°
N3	C13	C14	112.4°	109.9°
N3	C13	C15	103.7°	107.3°
N3	C13	H14	109.8°	109.8°
C13	N3	C10	119.2°	125.7°
N3	C17	C16	104.1°	104.7°
N3	C17	H19	110.8°	110.4°
N3	C17	H20	110.8°	110.3°
C17	N3	C10	129.1°	125.7°
C14	C13	C15	112.6°	109.9°
C14	C13	H14	109.1°	109.9°
C13	C14	O5	119.5°	120.0°
C13	C14	N4	117.7°	120.0°
C15	C13	H14	109.1°	110.0°
C13	C15	C16	105.4°	103.0°
C13	C15	H15	110.5°	110.7°
C13	C15	H16	110.5°	110.7°
O5	C14	N4	122.8°	120.0°
C16	C15	H15	110.5°	110.7°
C16	C15	H16	110.5°	110.8°
C15	C16	C17	108.5°	101.5°
C15	C16	H17	109.7°	111.0°
C15	C16	H18	109.7°	111.0°
H15	C15	H16	109.4°	110.7°
C17	C16	H17	109.7°	111.2°
C17	C16	H18	109.7°	110.9°
C16	C17	H19	110.8°	110.5°
C16	C17	H20	110.8°	110.4°
H17	C16	H18	109.5°	110.9°
H19	C17	H20	109.4°	110.4°
C18	N4	H21	118.7°	120.0°
N4	C18	C19	108.6°	109.5°
N4	C18	C20	111.0°	109.4°
N4	C18	H22	108.8°	109.5°
C18	N4	C14	122.5°	120.0°
H21	N4	C14	118.8°	120.0°
C19	C18	C20	112.6°	109.5°
C19	C18	H22	107.9°	109.5°
C18	C19	O6	120.0°	120.0°
C18	C19	N6	118.3°	120.0°
C20	C18	H22	107.8°	109.5°
C18	C20	C21	115.3°	109.5°
C18	C20	H23	108.0°	109.5°
C18	C20	H24	108.0°	109.5°
O6	C19	N6	121.5°	120.0°
C21	C20	H23	108.0°	109.5°
C21	C20	H24	108.0°	109.4°
C20	C21	C22	113.9°	109.5°
C20	C21	H25	108.3°	109.5°
C20	C21	H26	108.3°	109.5°
H23	C20	H24	109.5°	109.5°
C22	C21	H25	108.3°	109.5°
C22	C21	H26	108.4°	109.4°
C21	C22	O7	122.2°	120.0°
C21	C22	N5	116.5°	120.0°
H25	C21	H26	109.5°	109.5°
O7	C22	N5	121.3°	120.0°
C22	N5	H27	120.0°	120.0°
C22	N5	H28	120.0°	120.0°
H27	N5	H28	120.0°	120.0°
C23	N6	H37	117.2°	120.0°
N6	C23	C26	110.9°	109.5°
N6	C23	C24	113.3°	109.5°
N6	C23	H29	108.1°	109.5°
C23	N6	C19	125.5°	120.0°
H37	N6	C19	117.2°	120.0°
C26	C23	C24	109.5°	109.4°
C26	C23	H29	107.4°	109.5°
C23	C26	S1	113.6°	109.5°
C23	C26	H35	108.5°	109.5°
C23	C26	H36	108.4°	109.4°
C24	C23	H29	107.4°	109.5°
C23	C24	C25	110.7°	109.5°
C23	C24	O8	110.5°	109.5°
C23	C24	H30	108.0°	109.5°
C25	C24	O8	110.1°	109.4°
C25	C24	H30	108.1°	109.5°
C24	C25	H33	109.5°	109.4°
C24	C25	H34	109.5°	109.5°
C24	C25	H32	109.5°	109.4°
O8	C24	H30	109.4°	109.5°
C24	O8	H31	109.5°	114.0°
H33	C25	H34	109.5°	109.5°
H33	C25	H32	109.5°	109.5°
H34	C25	H32	109.5°	109.5°
C26	S1	H38	102.0°	103.0°
S1	C26	H35	108.4°	109.5°
S1	C26	H36	108.5°	109.5°
H35	C26	H36	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	N1	179.9°	179.8°
O1	C1	O2	C2	106.4°	0.0°
O1	C1	N1	C9	178.1°	5.1°
O1	C1	N1	H8	1.9°	174.9°
C1	O2	C2	C3	90.0°	180.0°
C1	O2	C2	H1	90.0°	60.1°
C1	O2	C2	H2	90.0°	60.0°
O2	C1	N1	C9	1.8°	174.6°
O2	C1	N1	H8	178.2°	5.3°
O2	C2	C3	H1	90.0°	120.0°
O2	C2	C3	H2	90.0°	120.0°
O2	C2	H1	H2	90.0°	120.0°
O2	C2	C3	C4	90.0°	90.0°
O2	C2	C3	C8	90.0°	90.3°
C2	O2	C1	N1	73.7°	179.7°
C3	C2	H1	H2	90.0°	120.0°
C2	C3	C4	C8	90.0°	179.7°
C2	C3	C4	C5	90.0°	180.0°
C2	C3	C4	H3	90.0°	0.0°
C2	C3	C8	C7	90.0°	179.8°
C2	C3	C8	H7	90.0°	0.0°
H1	C2	C3	C4	90.0°	30.0°
H1	C2	C3	C8	90.0°	149.7°
H2	C2	C3	C4	90.0°	150.0°
H2	C2	C3	C8	90.0°	29.7°
C3	C4	C5	H3	90.0°	180.0°
C3	C4	C5	C6	90.0°	0.0°
C3	C4	C5	H4	90.0°	180.0°
C4	C3	C8	C7	90.0°	0.5°
C4	C3	C8	H7	90.0°	179.8°
C8	C3	C4	C5	90.0°	0.3°
C8	C3	C4	H3	90.0°	179.8°
C3	C8	C7	C6	90.0°	0.4°
C3	C8	C7	H7	90.0°	179.7°
C3	C8	C7	H6	90.0°	179.7°
C4	C5	C6	H4	90.0°	179.9°
C4	C5	C6	C7	90.0°	0.1°
C4	C5	C6	H5	90.0°	179.9°
H3	C4	C5	C6	90.0°	180.0°
H3	C4	C5	H4	90.0°	0.0°
C5	C6	C7	H5	90.0°	180.0°
C5	C6	C7	C8	90.0°	0.2°
C5	C6	C7	H6	90.0°	180.0°
H4	C5	C6	C7	90.0°	180.0°
H4	C5	C6	H5	90.0°	0.0°
C6	C7	C8	H6	90.0°	179.8°
C6	C7	C8	H7	90.0°	179.8°
H5	C6	C7	C8	90.0°	179.8°
H5	C6	C7	H6	90.0°	0.0°
H6	C7	C8	H7	90.0°	0.0°
C9	N1	H8	C1	180.0°	180.0°
N1	C9	C10	C11	121.7°	120.0°
N1	C9	C10	H9	119.3°	120.0°
N1	C9	C11	H9	120.4°	120.0°
N1	C9	C10	O3	49.5°	16.4°
N1	C9	C11	C12	155.9°	55.7°
N1	C9	C11	H10	35.1°	175.7°
N1	C9	C11	H11	83.2°	64.3°
N1	C9	C10	N3	130.8°	163.6°
H8	N1	C9	C10	101.5°	25.2°
H8	N1	C9	C11	19.9°	94.8°
H8	N1	C9	H9	139.7°	145.2°
C10	C9	C11	H9	118.9°	120.1°
C9	C10	O3	N3	179.7°	180.0°
C10	C9	C11	C12	83.5°	64.3°
C10	C9	C11	H10	155.7°	55.7°
C10	C9	C11	H11	37.4°	175.7°
C9	C10	N3	C13	178.5°	175.4°
C9	C10	N3	C17	0.1°	4.3°
C10	C9	N1	C1	78.5°	154.8°
C11	C9	C10	O3	72.2°	103.6°
C9	C11	C12	H10	120.8°	120.0°
C9	C11	C12	H11	120.9°	120.0°
C9	C11	H10	H11	117.3°	120.0°
C9	C11	C12	O4	60.6°	1.0°
C9	C11	C12	N2	122.7°	178.9°
C11	C9	N1	C1	160.2°	85.2°
C11	C9	C10	N3	107.5°	76.4°
H9	C9	C10	O3	168.8°	136.4°
H9	C9	C11	C12	35.5°	175.7°
H9	C9	C11	H10	85.4°	64.3°
H9	C9	C11	H11	156.3°	55.6°
H9	C9	N1	C1	40.3°	34.8°
H9	C9	C10	N3	11.4°	43.7°
O3	C10	N3	C13	1.2°	4.7°
O3	C10	N3	C17	179.6°	175.7°
C12	C11	H10	H11	117.3°	120.0°
C11	C12	O4	N2	176.5°	180.0°
C11	C12	N2	H12	176.7°	0.0°
C11	C12	N2	H13	3.3°	180.0°
H10	C11	C12	O4	178.5°	119.0°
H10	C11	C12	N2	1.9°	61.1°
H11	C11	C12	O4	60.3°	121.1°
H11	C11	C12	N2	116.4°	58.9°
O4	C12	N2	H12	0.0°	180.0°
O4	C12	N2	H13	180.0°	0.0°
C12	N2	H12	H13	180.0°	180.0°
C13	N3	C17	C10	178.6°	179.7°
N3	C13	C14	C15	116.7°	117.8°
N3	C13	C14	H14	122.1°	121.0°
N3	C13	C15	H14	117.0°	119.5°
N3	C13	C14	O5	6.3°	0.0°
N3	C13	C15	C16	24.2°	22.2°
N3	C13	C15	H15	143.6°	140.6°
N3	C13	C15	H16	95.2°	96.2°
C13	N3	C17	C16	0.8°	24.5°
C13	N3	C17	H19	118.4°	94.5°
C13	N3	C17	H20	119.9°	143.2°
N3	C13	C14	N4	172.6°	180.0°
C17	N3	C13	C14	107.5°	120.7°
C17	N3	C13	C15	14.4°	1.3°
C17	N3	C13	H14	130.9°	118.3°
N3	C17	C16	C15	16.8°	37.3°
N3	C17	C16	H19	119.1°	118.8°
N3	C17	C16	H20	119.2°	118.7°
N3	C17	C16	H17	103.1°	80.8°
N3	C17	C16	H18	136.6°	155.3°
N3	C17	H19	H20	122.5°	122.3°
C14	C13	C15	H14	121.2°	121.1°
C13	C14	O5	N4	178.9°	180.0°
C14	C13	C15	C16	97.6°	97.2°
C14	C13	C15	H15	21.8°	21.2°
C14	C13	C15	H16	143.0°	144.4°
C13	C14	N4	C18	179.1°	179.9°
C13	C14	N4	H21	0.9°	0.0°
C14	C13	N3	C10	71.2°	59.5°
C15	C13	C14	O5	110.4°	117.8°
C13	C15	C16	H15	119.4°	118.4°
C13	C15	C16	H16	119.4°	118.4°
C13	C15	H15	H16	121.9°	123.2°
C13	C15	C16	C17	25.8°	35.7°
C13	C15	C16	H17	94.0°	82.6°
C13	C15	C16	H18	145.7°	153.5°
C15	C13	N3	C10	166.8°	179.0°
C15	C13	C14	N4	70.7°	62.2°
H14	C13	C14	O5	128.4°	121.0°
H14	C13	C15	C16	141.2°	141.7°
H14	C13	C15	H15	99.4°	100.0°
H14	C13	C15	H16	21.8°	23.2°
H14	C13	N3	C10	50.4°	61.4°
H14	C13	C14	N4	50.5°	59.0°
O5	C14	N4	C18	2.0°	0.0°
O5	C14	N4	H21	178.0°	180.0°
C16	C15	H15	H16	121.9°	123.2°
C15	C16	C17	H17	119.8°	118.1°
C15	C16	C17	H18	119.9°	117.9°
C15	C16	H17	H18	120.4°	123.9°
C15	C16	C17	H19	102.4°	81.5°
C15	C16	C17	H20	135.9°	156.0°
H15	C15	C16	C17	145.2°	154.1°
H15	C15	C16	H17	25.4°	35.8°
H15	C15	C16	H18	94.9°	88.1°
H16	C15	C16	C17	93.6°	82.7°
H16	C15	C16	H17	146.6°	159.0°
H16	C15	C16	H18	26.3°	35.1°
C17	C16	H17	H18	120.4°	123.9°
C16	C17	H19	H20	122.5°	122.4°
C16	C17	N3	C10	177.8°	155.8°
H17	C16	C17	H19	137.8°	160.4°
H17	C16	C17	H20	16.1°	37.9°
H18	C16	C17	H19	17.5°	36.4°
H18	C16	C17	H20	104.2°	86.0°
H19	C17	N3	C10	63.1°	85.3°
H20	C17	N3	C10	58.6°	37.1°
C18	N4	H21	C14	180.0°	179.9°
N4	C18	C19	C20	123.3°	120.0°
N4	C18	C19	H22	117.8°	120.0°
N4	C18	C20	H22	119.0°	120.0°
N4	C18	C19	O6	52.4°	0.0°
N4	C18	C20	C21	170.8°	65.0°
N4	C18	C20	H23	49.9°	55.0°
N4	C18	C20	H24	68.4°	175.0°
N4	C18	C19	N6	121.8°	180.0°
H21	N4	C18	C19	114.1°	24.9°
H21	N4	C18	C20	10.2°	95.1°
H21	N4	C18	H22	128.6°	145.0°
C19	C18	C20	H22	118.9°	120.0°
C18	C19	O6	N6	174.1°	180.0°
C19	C18	C20	C21	67.2°	175.0°
C19	C18	C20	H23	172.0°	65.0°
C19	C18	C20	H24	53.7°	55.0°
C18	C19	N6	C23	179.1°	180.0°
C18	C19	N6	H37	0.8°	0.1°
C19	C18	N4	C14	65.9°	155.0°
C20	C18	C19	O6	70.9°	120.0°
C18	C20	C21	H23	120.9°	120.0°
C18	C20	C21	H24	120.8°	120.0°
C18	C20	H23	H24	117.4°	120.0°
C18	C20	C21	C22	62.1°	180.0°
C18	C20	C21	H25	177.2°	60.0°
C18	C20	C21	H26	58.5°	60.0°
C20	C18	N4	C14	169.8°	85.0°
C20	C18	C19	N6	114.8°	60.0°
H22	C18	C19	O6	170.2°	120.0°
H22	C18	C20	C21	51.8°	55.0°
H22	C18	C20	H23	69.1°	175.0°
H22	C18	C20	H24	172.6°	65.0°
H22	C18	N4	C14	51.3°	34.9°
H22	C18	C19	N6	4.0°	60.0°
O6	C19	N6	C23	5.0°	0.1°
O6	C19	N6	H37	175.0°	179.9°
C21	C20	H23	H24	117.3°	120.0°
C20	C21	C22	H25	120.6°	120.0°
C20	C21	C22	H26	120.7°	120.0°
C20	C21	H25	H26	117.9°	120.0°
C20	C21	C22	O7	38.8°	0.1°
C20	C21	C22	N5	141.2°	180.0°
H23	C20	C21	C22	58.7°	60.0°
H23	C20	C21	H25	61.9°	180.0°
H23	C20	C21	H26	179.4°	60.0°
H24	C20	C21	C22	177.0°	60.0°
H24	C20	C21	H25	56.4°	60.0°
H24	C20	C21	H26	62.3°	180.0°
C22	C21	H25	H26	118.0°	120.0°
C21	C22	O7	N5	180.0°	180.0°
C21	C22	N5	H27	180.0°	0.0°
C21	C22	N5	H28	0.0°	179.9°
H25	C21	C22	O7	81.8°	120.0°
H25	C21	C22	N5	98.2°	60.0°
H26	C21	C22	O7	159.5°	120.0°
H26	C21	C22	N5	20.5°	60.0°
O7	C22	N5	H27	0.0°	179.9°
O7	C22	N5	H28	180.0°	0.0°
C22	N5	H27	H28	180.0°	179.9°
C23	N6	H37	C19	180.0°	179.9°
N6	C23	C26	C24	125.8°	120.0°
N6	C23	C26	H29	117.9°	120.0°
N6	C23	C24	H29	119.2°	120.0°
N6	C23	C24	C25	74.2°	54.9°
N6	C23	C24	O8	48.1°	65.0°
N6	C23	C24	H30	167.7°	175.0°
N6	C23	C26	S1	14.2°	65.0°
N6	C23	C26	H35	106.4°	175.0°
N6	C23	C26	H36	134.9°	55.0°
H37	N6	C23	C26	67.9°	94.9°
H37	N6	C23	C24	55.7°	25.1°
H37	N6	C23	H29	174.6°	145.1°
C26	C23	C24	H29	116.4°	120.0°
C26	C23	C24	C25	161.4°	175.0°
C26	C23	C24	O8	76.3°	55.0°
C26	C23	C24	H30	43.3°	65.0°
C23	C26	S1	H35	120.6°	120.0°
C23	C26	S1	H36	120.6°	120.0°
C23	C26	S1	H38	180.0°	180.0°
C23	C26	H35	H36	118.1°	120.0°
C26	C23	N6	C19	112.1°	85.0°
C23	C24	C25	O8	122.5°	120.0°
C23	C24	C25	H30	118.1°	120.0°
C23	C24	O8	H30	118.8°	120.0°
C23	C24	C25	H33	180.0°	60.1°
C23	C24	C25	H34	60.0°	59.9°
C23	C24	C25	H32	60.0°	180.0°
C23	C24	O8	H31	180.0°	59.9°
C24	C23	C26	S1	111.6°	175.0°
C24	C23	C26	H35	127.8°	55.0°
C24	C23	C26	H36	9.1°	65.0°
C24	C23	N6	C19	124.3°	155.0°
H29	C23	C24	C25	45.1°	65.1°
H29	C23	C24	O8	167.3°	175.0°
H29	C23	C24	H30	73.0°	55.0°
H29	C23	C26	S1	132.1°	55.0°
H29	C23	C26	H35	11.5°	65.0°
H29	C23	C26	H36	107.3°	175.0°
H29	C23	N6	C19	5.4°	35.0°
C25	C24	O8	H30	118.6°	120.0°
C24	C25	H33	H34	120.0°	120.1°
C24	C25	H33	H32	120.0°	119.9°
C24	C25	H34	H32	120.0°	120.0°
C25	C24	O8	H31	57.4°	60.0°
O8	C24	C25	H33	57.5°	180.0°
O8	C24	C25	H34	177.5°	60.0°
O8	C24	C25	H32	62.5°	60.0°
H30	C24	C25	H33	61.9°	60.0°
H30	C24	C25	H34	58.1°	180.0°
H30	C24	C25	H32	178.1°	60.0°
H30	C24	O8	H31	61.2°	179.9°
H33	C25	H34	H32	120.0°	120.0°
S1	C26	H35	H36	118.1°	120.0°
H38	S1	C26	H35	59.4°	59.9°
H38	S1	C26	H36	59.4°	60.1°

Release date:	2014-02-12
Last modified:	2014-02-12
Processing site:	RCSB