PRD_000841

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C1	O4	sing	1.43Å	1.39Å
C1	S1	sing	1.81Å	1.76Å
C2	O1	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.46Å
C3	O2	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.42Å
C4	O3	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.51Å
C5	O4	sing	1.43Å	1.47Å
C5	C6	sing	1.53Å	1.45Å
C6	O5	sing	1.43Å	1.38Å
S1	C7	sing	1.81Å	1.77Å
C7	C9	sing	1.53Å	1.50Å
C9	C8	sing	1.51Å	45.34Å
C8	O6	doub	1.21Å	0.00Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O1	H3	sing	0.97Å	0.95Å
C4	H5	sing	1.09Å	1.10Å
O3	H6	sing	0.97Å	0.95Å
C5	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
O5	H10	sing	0.97Å	0.95Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
O2	H4	sing	0.97Å	0.95Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
N1	C10	sing	1.47Å	0.00Å
N1	H16	sing	0.97Å	0.00Å
C10	C11	sing	1.51Å	0.00Å
C10	C12	sing	1.53Å	0.00Å
C10	H17	sing	1.09Å	0.00Å
C11	O7	doub	1.21Å	0.00Å
C12	C13	sing	1.53Å	0.00Å
C12	H18	sing	1.09Å	0.00Å
C12	H19	sing	1.09Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C13	H20	sing	1.09Å	0.00Å
C13	H21	sing	1.09Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C14	H22	sing	1.09Å	0.00Å
C14	H23	sing	1.09Å	0.00Å
C15	N2	sing	1.47Å	0.00Å
C15	H24	sing	1.09Å	0.00Å
C15	H25	sing	1.09Å	0.00Å
N2	H26	sing	1.01Å	0.00Å
N2	H27	sing	1.01Å	0.00Å
N2	H28	sing	1.01Å	0.00Å
N3	C16	sing	1.47Å	0.00Å
N3	C20	sing	1.47Å	0.00Å
C16	C17	sing	1.51Å	0.00Å
C16	C18	sing	1.54Å	0.00Å
C16	H29	sing	1.09Å	0.00Å
C17	O8	doub	1.21Å	0.00Å
C18	C19	sing	1.55Å	0.00Å
C18	H30	sing	1.09Å	0.00Å
C18	H31	sing	1.09Å	0.00Å
C19	C20	sing	1.55Å	0.00Å
C19	H32	sing	1.09Å	0.00Å
C19	H33	sing	1.09Å	0.00Å
C20	H34	sing	1.09Å	0.00Å
C20	H35	sing	1.09Å	0.00Å
N4	C21	sing	1.46Å	0.00Å
N4	H36	sing	0.97Å	0.00Å
C21	C22	sing	1.51Å	0.00Å
C21	C23	sing	1.53Å	0.00Å
C21	H37	sing	1.09Å	0.00Å
C22	O9	doub	1.21Å	0.00Å
C23	C24	sing	1.53Å	0.00Å
C23	H38	sing	1.09Å	0.00Å
C23	H39	sing	1.09Å	0.00Å
C24	C25	sing	1.53Å	0.00Å
C24	C26	sing	1.53Å	0.00Å
C24	H40	sing	1.09Å	0.00Å
C25	H41	sing	1.09Å	0.00Å
C25	H42	sing	1.09Å	0.00Å
C25	H43	sing	1.09Å	0.00Å
C26	H44	sing	1.09Å	0.00Å
C26	H45	sing	1.09Å	0.00Å
C26	H46	sing	1.09Å	0.00Å
N5	H47	sing	0.97Å	0.00Å
N5	H48	sing	0.97Å	0.00Å
C8	N1	sing	1.35Å	0.00Å
C11	N3	sing	1.35Å	0.00Å
C17	N4	sing	1.35Å	0.00Å
C22	N5	sing	1.35Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O4	113.2°	109.4°
C2	C1	S1	108.6°	109.4°
C1	C2	O1	111.2°	109.5°
C1	C2	C3	110.4°	109.2°
C2	C1	H1	108.7°	109.5°
C1	C2	H2	107.6°	109.5°
O4	C1	S1	109.7°	109.5°
C1	O4	C5	110.3°	114.1°
O4	C1	H1	110.4°	109.5°
C1	S1	C7	104.1°	103.0°
S1	C1	H1	106.0°	109.5°
O1	C2	C3	110.3°	109.5°
O1	C2	H2	108.9°	109.5°
C2	O1	H3	109.5°	113.9°
C2	C3	O2	120.6°	109.5°
C2	C3	C4	120.7°	109.0°
C3	C2	H2	108.4°	109.5°
C2	C3	H15	95.6°	109.5°
O2	C3	C4	115.8°	109.6°
C3	O2	H4	109.5°	114.0°
O2	C3	H15	95.7°	109.6°
C3	C4	O3	104.2°	109.6°
C3	C4	C5	114.6°	109.2°
C3	C4	H5	109.0°	109.5°
C4	C3	H15	95.7°	109.6°
O3	C4	C5	112.3°	109.5°
O3	C4	H5	108.8°	109.5°
C4	O3	H6	109.5°	114.0°
C4	C5	O4	112.4°	109.4°
C4	C5	C6	112.4°	109.5°
C5	C4	H5	107.8°	109.5°
C4	C5	H7	107.1°	109.5°
O4	C5	C6	109.2°	109.5°
O4	C5	H7	107.7°	109.5°
C5	C6	O5	115.4°	109.5°
C6	C5	H7	107.9°	109.4°
C5	C6	H8	108.0°	109.5°
C5	C6	H9	108.0°	109.4°
O5	C6	H8	108.0°	109.5°
O5	C6	H9	108.0°	109.4°
C6	O5	H10	109.5°	114.0°
S1	C7	C9	117.5°	109.5°
S1	C7	H11	107.4°	109.4°
S1	C7	H12	107.4°	109.5°
C7	C9	C8	81.5°	109.5°
C9	C7	H11	107.4°	109.4°
C9	C7	H12	107.4°	109.5°
C7	C9	H13	116.0°	109.5°
C7	C9	H14	115.9°	109.5°
C9	C8	O6	90.0°	119.9°
C8	C9	H13	116.0°	109.4°
C8	C9	H14	116.0°	109.4°
C9	C8	N1	90.0°	120.0°
O6	C8	N1	90.0°	120.0°
H8	C6	H9	109.4°	109.5°
H11	C7	H12	109.4°	109.5°
H13	C9	H14	109.5°	109.4°
C10	N1	H16	90.0°	120.0°
N1	C10	C11	90.0°	109.4°
N1	C10	C12	90.0°	109.5°
N1	C10	H17	90.0°	109.5°
C10	N1	C8	90.0°	120.0°
H16	N1	C8	90.0°	120.0°
C11	C10	C12	90.0°	109.5°
C11	C10	H17	90.0°	109.5°
C10	C11	O7	90.0°	120.0°
C10	C11	N3	90.0°	120.0°
C12	C10	H17	90.0°	109.5°
C10	C12	C13	90.0°	109.5°
C10	C12	H18	90.0°	109.5°
C10	C12	H19	90.0°	109.5°
O7	C11	N3	90.0°	120.0°
C13	C12	H18	90.0°	109.5°
C13	C12	H19	90.0°	109.5°
C12	C13	C14	90.0°	109.5°
C12	C13	H20	90.0°	109.4°
C12	C13	H21	90.0°	109.5°
H18	C12	H19	90.0°	109.4°
C14	C13	H20	90.0°	109.4°
C14	C13	H21	90.0°	109.5°
C13	C14	C15	90.0°	109.4°
C13	C14	H22	90.0°	109.4°
C13	C14	H23	90.0°	109.4°
H20	C13	H21	90.0°	109.5°
C15	C14	H22	90.0°	109.5°
C15	C14	H23	90.0°	109.5°
C14	C15	N2	90.0°	109.4°
C14	C15	H24	90.0°	109.5°
C14	C15	H25	90.0°	109.5°
H22	C14	H23	90.0°	109.5°
N2	C15	H24	90.0°	109.5°
N2	C15	H25	90.0°	109.4°
C15	N2	H26	90.0°	109.5°
C15	N2	H27	90.0°	109.4°
C15	N2	H28	90.0°	109.4°
H24	C15	H25	90.0°	109.5°
H26	N2	H27	90.0°	109.5°
H26	N2	H28	90.0°	109.5°
H27	N2	H28	90.0°	109.5°
C16	N3	C20	90.0°	108.8°
N3	C16	C17	90.0°	109.9°
N3	C16	C18	90.0°	107.3°
N3	C16	H29	90.0°	109.9°
C16	N3	C11	90.0°	125.6°
N3	C20	C19	90.0°	104.7°
N3	C20	H34	90.0°	110.4°
N3	C20	H35	90.0°	110.4°
C20	N3	C11	90.0°	125.6°
C17	C16	C18	90.0°	109.9°
C17	C16	H29	90.0°	109.9°
C16	C17	O8	90.0°	120.0°
C16	C17	N4	90.0°	120.0°
C18	C16	H29	90.0°	110.0°
C16	C18	C19	90.0°	102.9°
C16	C18	H30	90.0°	110.7°
C16	C18	H31	90.0°	110.7°
O8	C17	N4	90.0°	120.0°
C19	C18	H30	90.0°	110.7°
C19	C18	H31	90.0°	110.7°
C18	C19	C20	90.0°	101.5°
C18	C19	H32	90.0°	111.0°
C18	C19	H33	90.0°	111.0°
H30	C18	H31	90.0°	110.9°
C20	C19	H32	90.0°	111.2°
C20	C19	H33	90.0°	110.9°
C19	C20	H34	90.0°	110.5°
C19	C20	H35	90.0°	110.3°
H32	C19	H33	90.0°	111.0°
H34	C20	H35	90.0°	110.4°
C21	N4	H36	90.0°	120.0°
N4	C21	C22	90.0°	109.5°
N4	C21	C23	90.0°	109.5°
N4	C21	H37	90.0°	109.5°
C21	N4	C17	90.0°	120.0°
H36	N4	C17	90.0°	120.0°
C22	C21	C23	90.0°	109.5°
C22	C21	H37	90.0°	109.5°
C21	C22	O9	90.0°	120.0°
C21	C22	N5	90.0°	120.0°
C23	C21	H37	90.0°	109.4°
C21	C23	C24	90.0°	109.5°
C21	C23	H38	90.0°	109.5°
C21	C23	H39	90.0°	109.4°
O9	C22	N5	90.0°	120.0°
C24	C23	H38	90.0°	109.5°
C24	C23	H39	90.0°	109.5°
C23	C24	C25	90.0°	109.4°
C23	C24	C26	90.0°	109.4°
C23	C24	H40	90.0°	109.4°
H38	C23	H39	90.0°	109.4°
C25	C24	C26	90.0°	109.5°
C25	C24	H40	90.0°	109.5°
C24	C25	H41	90.0°	109.5°
C24	C25	H42	90.0°	109.4°
C24	C25	H43	90.0°	109.5°
C26	C24	H40	90.0°	109.5°
C24	C26	H44	90.0°	109.5°
C24	C26	H45	90.0°	109.4°
C24	C26	H46	90.0°	109.5°
H41	C25	H42	90.0°	109.5°
H41	C25	H43	90.0°	109.5°
H42	C25	H43	90.0°	109.4°
H44	C26	H45	90.0°	109.5°
H44	C26	H46	90.0°	109.5°
H45	C26	H46	90.0°	109.4°
H47	N5	H48	90.0°	120.0°
H47	N5	C22	90.0°	120.0°
H48	N5	C22	90.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O4	S1	121.5°	120.0°
C2	C1	O4	H1	122.0°	120.0°
C2	C1	S1	H1	116.6°	120.0°
C1	C2	O1	C3	122.8°	119.7°
C1	C2	O1	H2	118.4°	120.2°
C1	C2	C3	H2	117.6°	119.9°
C1	C2	C3	O2	165.1°	176.9°
C1	C2	C3	C4	34.9°	57.0°
C2	C1	O4	C5	62.2°	61.2°
C2	C1	S1	C7	150.5°	175.0°
C1	C2	O1	H3	180.0°	60.0°
C1	C2	C3	H15	65.1°	63.0°
O4	C1	S1	H1	119.2°	120.0°
O4	C1	C2	O1	173.1°	177.5°
O4	C1	C2	C3	50.3°	57.6°
C1	O4	C5	C4	55.8°	61.1°
C1	O4	C5	C6	178.8°	178.8°
O4	C1	S1	C7	85.3°	65.0°
O4	C1	C2	H2	67.7°	62.3°
C1	O4	C5	H7	61.9°	58.8°
S1	C1	C2	O1	64.8°	62.5°
S1	C1	C2	C3	172.5°	177.6°
S1	C1	O4	C5	176.4°	178.9°
C1	S1	C7	C9	59.7°	180.0°
S1	C1	C2	H2	54.4°	57.7°
C1	S1	C7	H11	61.5°	60.1°
C1	S1	C7	H12	179.1°	59.9°
O1	C2	C3	H2	119.1°	120.2°
O1	C2	C3	O2	41.8°	63.2°
O1	C2	C3	C4	158.2°	176.9°
O1	C2	C1	H1	50.1°	57.5°
O1	C2	C3	H15	58.2°	56.9°
C2	C3	O2	C4	160.9°	119.6°
C2	C3	O2	H15	99.9°	120.1°
C2	C3	C4	H15	100.0°	119.9°
C2	C3	C4	O3	91.7°	63.0°
C2	C3	C4	C5	31.3°	57.0°
C3	C2	C1	H1	72.6°	62.4°
C3	C2	O1	H3	57.2°	179.7°
C2	C3	C4	H5	152.2°	176.9°
C2	C3	O2	H4	180.0°	60.0°
O2	C3	C4	H15	99.1°	120.3°
O2	C3	C4	O3	69.1°	56.9°
O2	C3	C4	C5	167.8°	176.8°
O2	C3	C2	H2	77.3°	56.9°
O2	C3	C4	H5	46.9°	63.2°
C3	C4	O3	C5	124.6°	119.7°
C3	C4	O3	H5	116.2°	120.1°
C3	C4	C5	H5	121.6°	119.9°
C3	C4	C5	O4	39.7°	57.6°
C3	C4	C5	C6	163.4°	177.7°
C4	C3	C2	H2	82.6°	63.0°
C3	C4	O3	H6	180.0°	60.0°
C3	C4	C5	H7	78.3°	62.4°
C4	C3	O2	H4	19.1°	179.6°
O3	C4	C5	H5	119.8°	120.1°
O3	C4	C5	O4	78.9°	62.4°
O3	C4	C5	C6	44.8°	57.7°
O3	C4	C5	H7	163.1°	177.7°
O3	C4	C3	H15	168.3°	177.2°
C4	C5	O4	C6	125.4°	120.0°
C4	C5	O4	H7	117.7°	120.0°
C4	C5	C6	H7	117.8°	120.0°
C4	C5	C6	O5	171.4°	175.0°
C5	C4	O3	H6	55.5°	179.7°
C4	C5	C6	H8	50.5°	55.0°
C4	C5	C6	H9	67.7°	65.1°
C5	C4	C3	H15	68.7°	62.9°
O4	C5	C6	H7	116.7°	120.0°
O4	C5	C6	O5	63.1°	65.0°
C5	O4	C1	H1	59.9°	58.8°
O4	C5	C4	H5	161.3°	177.5°
O4	C5	C6	H8	176.0°	174.9°
O4	C5	C6	H9	57.8°	54.9°
C5	C6	O5	H8	120.9°	120.1°
C5	C6	O5	H9	120.9°	119.9°
C6	C5	C4	H5	75.0°	62.4°
C5	C6	H8	H9	117.3°	120.0°
C5	C6	O5	H10	180.0°	180.0°
O5	C6	C5	H7	53.6°	55.1°
O5	C6	H8	H9	117.3°	120.0°
S1	C7	C9	H11	121.2°	119.9°
S1	C7	C9	H12	121.2°	120.1°
S1	C7	C9	C8	47.3°	180.0°
C7	S1	C1	H1	33.9°	55.0°
S1	C7	H11	H12	116.3°	120.0°
S1	C7	C9	H13	162.0°	60.0°
S1	C7	C9	H14	67.5°	59.9°
C7	C9	C8	H13	114.8°	120.0°
C7	C9	C8	H14	114.7°	120.1°
C7	C9	C8	O6	90.0°	0.0°
C9	C7	H11	H12	116.3°	120.0°
C7	C9	H13	H14	133.5°	120.0°
C7	C9	C8	N1	90.0°	180.0°
C9	C8	O6	N1	90.0°	180.0°
C8	C9	C7	H11	73.9°	60.0°
C8	C9	C7	H12	168.4°	60.0°
C8	C9	H13	H14	133.5°	119.9°
C9	C8	N1	C10	90.0°	180.0°
C9	C8	N1	H16	90.0°	0.0°
O6	C8	C9	H13	90.0°	120.1°
O6	C8	C9	H14	90.0°	120.1°
O6	C8	N1	C10	90.0°	0.0°
O6	C8	N1	H16	90.0°	180.0°
H1	C1	C2	H2	169.3°	177.7°
H2	C2	O1	H3	61.6°	60.2°
H2	C2	C3	H15	177.3°	177.1°
H5	C4	O3	H6	63.8°	60.2°
H5	C4	C5	H7	43.2°	57.6°
H5	C4	C3	H15	52.2°	57.1°
H7	C5	C6	H8	67.3°	65.0°
H7	C5	C6	H9	174.5°	175.0°
H8	C6	O5	H10	59.1°	59.9°
H9	C6	O5	H10	59.1°	60.1°
H11	C7	C9	H13	40.9°	180.0°
H11	C7	C9	H14	171.3°	60.0°
H12	C7	C9	H13	76.8°	60.0°
H12	C7	C9	H14	53.7°	180.0°
H4	O2	C3	H15	80.1°	60.1°
H13	C9	C8	N1	90.0°	59.9°
H14	C9	C8	N1	90.0°	59.9°
C10	N1	H16	C8	90.0°	180.0°
N1	C10	C11	C12	90.0°	120.0°
N1	C10	C11	H17	90.0°	120.0°
N1	C10	C12	H17	90.0°	120.0°
N1	C10	C11	O7	90.0°	0.0°
N1	C10	C12	C13	90.0°	65.0°
N1	C10	C12	H18	90.0°	174.9°
N1	C10	C12	H19	90.0°	55.0°
N1	C10	C11	N3	90.0°	180.0°
H16	N1	C10	C11	90.0°	25.0°
H16	N1	C10	C12	90.0°	95.0°
H16	N1	C10	H17	90.0°	145.0°
C11	C10	C12	H17	90.0°	120.0°
C10	C11	O7	N3	90.0°	179.9°
C11	C10	C12	C13	90.0°	175.0°
C11	C10	C12	H18	90.0°	54.9°
C11	C10	C12	H19	90.0°	65.0°
C10	C11	N3	C16	90.0°	180.0°
C10	C11	N3	C20	90.0°	0.3°
C11	C10	N1	C8	90.0°	155.0°
C12	C10	C11	O7	90.0°	120.0°
C10	C12	C13	H18	90.0°	120.0°
C10	C12	C13	H19	90.0°	120.0°
C10	C12	H18	H19	90.0°	120.0°
C10	C12	C13	C14	90.0°	180.0°
C10	C12	C13	H20	90.0°	60.0°
C10	C12	C13	H21	90.0°	60.0°
C12	C10	N1	C8	90.0°	85.0°
C12	C10	C11	N3	90.0°	60.0°
H17	C10	C11	O7	90.0°	120.0°
H17	C10	C12	C13	90.0°	55.0°
H17	C10	C12	H18	90.0°	65.1°
H17	C10	C12	H19	90.0°	175.0°
H17	C10	N1	C8	90.0°	35.0°
H17	C10	C11	N3	90.0°	60.0°
O7	C11	N3	C16	90.0°	0.0°
O7	C11	N3	C20	90.0°	179.6°
C13	C12	H18	H19	90.0°	120.0°
C12	C13	C14	H20	90.0°	119.9°
C12	C13	C14	H21	90.0°	120.0°
C12	C13	H20	H21	90.0°	120.0°
C12	C13	C14	C15	90.0°	180.0°
C12	C13	C14	H22	90.0°	60.0°
C12	C13	C14	H23	90.0°	60.0°
H18	C12	C13	C14	90.0°	60.0°
H18	C12	C13	H20	90.0°	180.0°
H18	C12	C13	H21	90.0°	60.0°
H19	C12	C13	C14	90.0°	60.0°
H19	C12	C13	H20	90.0°	60.0°
H19	C12	C13	H21	90.0°	180.0°
C14	C13	H20	H21	90.0°	120.0°
C13	C14	C15	H22	90.0°	120.0°
C13	C14	C15	H23	90.0°	120.0°
C13	C14	H22	H23	90.0°	119.9°
C13	C14	C15	N2	90.0°	180.0°
C13	C14	C15	H24	90.0°	60.0°
C13	C14	C15	H25	90.0°	60.0°
H20	C13	C14	C15	90.0°	60.0°
H20	C13	C14	H22	90.0°	179.9°
H20	C13	C14	H23	90.0°	60.0°
H21	C13	C14	C15	90.0°	60.0°
H21	C13	C14	H22	90.0°	60.0°
H21	C13	C14	H23	90.0°	180.0°
C15	C14	H22	H23	90.0°	120.1°
C14	C15	N2	H24	90.0°	120.0°
C14	C15	N2	H25	90.0°	120.0°
C14	C15	H24	H25	90.0°	120.1°
C14	C15	N2	H26	90.0°	60.0°
C14	C15	N2	H27	90.0°	60.1°
C14	C15	N2	H28	90.0°	180.0°
H22	C14	C15	N2	90.0°	60.0°
H22	C14	C15	H24	90.0°	180.0°
H22	C14	C15	H25	90.0°	59.9°
H23	C14	C15	N2	90.0°	60.1°
H23	C14	C15	H24	90.0°	60.0°
H23	C14	C15	H25	90.0°	NaN°
N2	C15	H24	H25	90.0°	120.0°
C15	N2	H26	H27	90.0°	120.0°
C15	N2	H26	H28	90.0°	119.9°
C15	N2	H27	H28	90.0°	119.9°
H24	C15	N2	H26	90.0°	180.0°
H24	C15	N2	H27	90.0°	60.0°
H24	C15	N2	H28	90.0°	60.0°
H25	C15	N2	H26	90.0°	60.0°
H25	C15	N2	H27	90.0°	180.0°
H25	C15	N2	H28	90.0°	60.0°
H26	N2	H27	H28	90.0°	120.1°
C16	N3	C20	C11	90.0°	179.7°
N3	C16	C17	C18	90.0°	117.8°
N3	C16	C17	H29	90.0°	121.1°
N3	C16	C18	H29	90.0°	119.5°
N3	C16	C17	O8	90.0°	0.0°
N3	C16	C18	C19	90.0°	22.2°
N3	C16	C18	H30	90.0°	140.5°
N3	C16	C18	H31	90.0°	96.2°
C16	N3	C20	C19	90.0°	24.5°
C16	N3	C20	H34	90.0°	94.5°
C16	N3	C20	H35	90.0°	143.2°
N3	C16	C17	N4	90.0°	180.0°
C20	N3	C16	C17	90.0°	118.1°
C20	N3	C16	C18	90.0°	1.3°
C20	N3	C16	H29	90.0°	120.9°
N3	C20	C19	C18	90.0°	37.3°
N3	C20	C19	H34	90.0°	118.9°
N3	C20	C19	H35	90.0°	118.8°
N3	C20	C19	H32	90.0°	80.7°
N3	C20	C19	H33	90.0°	155.3°
N3	C20	H34	H35	90.0°	122.4°
C17	C16	C18	H29	90.0°	121.1°
C16	C17	O8	N4	90.0°	180.0°
C17	C16	C18	C19	90.0°	141.6°
C17	C16	C18	H30	90.0°	100.1°
C17	C16	C18	H31	90.0°	23.3°
C16	C17	N4	C21	90.0°	180.0°
C16	C17	N4	H36	90.0°	0.1°
C17	C16	N3	C11	90.0°	61.6°
C18	C16	C17	O8	90.0°	117.8°
C16	C18	C19	H30	90.0°	118.3°
C16	C18	C19	H31	90.0°	118.4°
C16	C18	H30	H31	90.0°	123.3°
C16	C18	C19	C20	90.0°	35.7°
C16	C18	C19	H32	90.0°	82.5°
C16	C18	C19	H33	90.0°	153.6°
C18	C16	N3	C11	90.0°	179.0°
C18	C16	C17	N4	90.0°	62.2°
H29	C16	C17	O8	90.0°	121.0°
H29	C16	C18	C19	90.0°	97.3°
H29	C16	C18	H30	90.0°	21.0°
H29	C16	C18	H31	90.0°	144.3°
H29	C16	N3	C11	90.0°	59.4°
H29	C16	C17	N4	90.0°	59.0°
O8	C17	N4	C21	90.0°	0.0°
O8	C17	N4	H36	90.0°	179.9°
C19	C18	H30	H31	90.0°	123.2°
C18	C19	C20	H32	90.0°	118.0°
C18	C19	C20	H33	90.0°	118.0°
C18	C19	H32	H33	90.0°	123.9°
C18	C19	C20	H34	90.0°	81.6°
C18	C19	C20	H35	90.0°	156.1°
H30	C18	C19	C20	90.0°	154.0°
H30	C18	C19	H32	90.0°	35.8°
H30	C18	C19	H33	90.0°	88.1°
H31	C18	C19	C20	90.0°	82.7°
H31	C18	C19	H32	90.0°	159.1°
H31	C18	C19	H33	90.0°	35.2°
C20	C19	H32	H33	90.0°	124.0°
C19	C20	H34	H35	90.0°	122.3°
C19	C20	N3	C11	90.0°	155.8°
H32	C19	C20	H34	90.0°	160.4°
H32	C19	C20	H35	90.0°	38.0°
H33	C19	C20	H34	90.0°	36.4°
H33	C19	C20	H35	90.0°	85.9°
H34	C20	N3	C11	90.0°	85.2°
H35	C20	N3	C11	90.0°	37.1°
C21	N4	H36	C17	90.0°	179.9°
N4	C21	C22	C23	90.0°	120.0°
N4	C21	C22	H37	90.0°	120.0°
N4	C21	C23	H37	90.0°	120.0°
N4	C21	C22	O9	90.0°	0.0°
N4	C21	C23	C24	90.0°	65.0°
N4	C21	C23	H38	90.0°	175.0°
N4	C21	C23	H39	90.0°	55.0°
N4	C21	C22	N5	90.0°	180.0°
H36	N4	C21	C22	90.0°	95.1°
H36	N4	C21	C23	90.0°	25.0°
H36	N4	C21	H37	90.0°	144.9°
C22	C21	C23	H37	90.0°	120.0°
C21	C22	O9	N5	90.0°	180.0°
C22	C21	C23	C24	90.0°	175.0°
C22	C21	C23	H38	90.0°	54.9°
C22	C21	C23	H39	90.0°	65.0°
C21	C22	N5	H47	90.0°	0.0°
C21	C22	N5	H48	90.0°	180.0°
C22	C21	N4	C17	90.0°	85.0°
C23	C21	C22	O9	90.0°	120.1°
C21	C23	C24	H38	90.0°	120.0°
C21	C23	C24	H39	90.0°	120.0°
C21	C23	H38	H39	90.0°	119.9°
C21	C23	C24	C25	90.0°	65.0°
C21	C23	C24	C26	90.0°	175.0°
C21	C23	C24	H40	90.0°	55.0°
C23	C21	N4	C17	90.0°	154.9°
C23	C21	C22	N5	90.0°	60.0°
H37	C21	C22	O9	90.0°	120.0°
H37	C21	C23	C24	90.0°	55.0°
H37	C21	C23	H38	90.0°	65.0°
H37	C21	C23	H39	90.0°	175.0°
H37	C21	N4	C17	90.0°	35.0°
H37	C21	C22	N5	90.0°	60.0°
O9	C22	N5	H47	90.0°	180.0°
O9	C22	N5	H48	90.0°	0.1°
C24	C23	H38	H39	90.0°	120.0°
C23	C24	C25	C26	90.0°	120.0°
C23	C24	C25	H40	90.0°	120.0°
C23	C24	C26	H40	90.0°	120.0°
C23	C24	C25	H41	90.0°	60.0°
C23	C24	C25	H42	90.0°	180.0°
C23	C24	C25	H43	90.0°	60.1°
C23	C24	C26	H44	90.0°	60.1°
C23	C24	C26	H45	90.0°	180.0°
C23	C24	C26	H46	90.0°	60.0°
H38	C23	C24	C25	90.0°	55.0°
H38	C23	C24	C26	90.0°	65.0°
H38	C23	C24	H40	90.0°	175.0°
H39	C23	C24	C25	90.0°	175.0°
H39	C23	C24	C26	90.0°	55.0°
H39	C23	C24	H40	90.0°	65.0°
C25	C24	C26	H40	90.0°	120.1°
C24	C25	H41	H42	90.0°	120.0°
C24	C25	H41	H43	90.0°	120.1°
C24	C25	H42	H43	90.0°	119.9°
C25	C24	C26	H44	90.0°	180.0°
C25	C24	C26	H45	90.0°	60.0°
C25	C24	C26	H46	90.0°	59.9°
C26	C24	C25	H41	90.0°	59.9°
C26	C24	C25	H42	90.0°	60.1°
C26	C24	C25	H43	90.0°	180.0°
C24	C26	H44	H45	90.0°	119.9°
C24	C26	H44	H46	90.0°	120.1°
C24	C26	H45	H46	90.0°	120.0°
H40	C24	C25	H41	90.0°	180.0°
H40	C24	C25	H42	90.0°	60.0°
H40	C24	C25	H43	90.0°	59.9°
H40	C24	C26	H44	90.0°	59.9°
H40	C24	C26	H45	90.0°	60.1°
H40	C24	C26	H46	90.0°	NaN°
H41	C25	H42	H43	90.0°	120.0°
H44	C26	H45	H46	90.0°	120.0°
H47	N5	H48	C22	90.0°	179.9°

Release date:	2015-09-16
Last modified:	2015-09-16
Processing site:	RCSB