PRD_000275

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	0.00Å
N1	H1	sing	1.01Å	0.00Å
N1	H2	sing	1.01Å	0.00Å
C1	C2	sing	1.51Å	0.00Å
C1	C3	sing	1.53Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C2	O1	doub	1.21Å	0.00Å
C3	C4	sing	1.51Å	0.00Å
C3	H4	sing	1.09Å	0.00Å
C3	H5	sing	1.09Å	0.00Å
C4	O2	doub	1.21Å	0.00Å
C4	O3	sing	1.34Å	0.00Å
O3	H6	sing	0.97Å	0.00Å
N2	C5	sing	1.46Å	0.00Å
N2	H7	sing	0.97Å	0.00Å
C5	C6	sing	1.51Å	0.00Å
C5	C7	sing	1.53Å	0.00Å
C5	H8	sing	1.09Å	0.00Å
C6	O4	doub	1.21Å	0.00Å
C7	H9	sing	1.09Å	0.00Å
C7	H10	sing	1.09Å	0.00Å
C7	H11	sing	1.09Å	0.00Å
N3	C8	sing	1.46Å	1.49Å
N3	H12	sing	0.97Å	1.00Å
C8	C9	sing	1.51Å	1.53Å
C8	C10	sing	1.53Å	1.53Å
C8	H13	sing	1.09Å	1.10Å
C9	O5	doub	1.21Å	1.23Å
C10	C11	sing	1.51Å	1.52Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C11	O6	doub	1.21Å	1.25Å
C11	O7	sing	1.34Å	1.25Å
O7	H16	sing	0.97Å	0.95Å
N4	C12	sing	1.47Å	1.46Å
N4	H17	sing	0.97Å	1.00Å
C12	C13	sing	1.51Å	1.52Å
C12	C14	sing	1.53Å	1.53Å
C12	H18	sing	1.09Å	1.10Å
C13	O8	doub	1.21Å	1.23Å
C14	C15	sing	1.53Å	1.52Å
C14	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
C15	C16	sing	1.51Å	1.52Å
C15	H21	sing	1.09Å	1.10Å
C15	H22	sing	1.09Å	1.10Å
C16	O9	doub	1.21Å	1.25Å
C16	O10	sing	1.34Å	1.25Å
O10	H23	sing	0.97Å	0.95Å
N5	C17	sing	1.47Å	1.46Å
N5	H24	sing	0.97Å	1.00Å
C17	C18	sing	1.51Å	1.53Å
C17	C19	sing	1.53Å	1.53Å
C17	H25	sing	1.09Å	1.10Å
C18	O11	doub	1.21Å	1.23Å
C19	C20	sing	1.51Å	1.52Å
C19	H26	sing	1.09Å	1.10Å
C19	H27	sing	1.09Å	1.10Å
C20	C21	doub	1.38Å	1.40Å	Aromatic
C20	C22	sing	1.38Å	1.39Å	Aromatic
C21	C23	sing	1.38Å	1.40Å	Aromatic
C21	H28	sing	1.08Å	1.08Å
C22	C24	doub	1.38Å	1.40Å	Aromatic
C22	H29	sing	1.08Å	1.08Å
C23	C25	doub	1.38Å	1.39Å	Aromatic
C23	H30	sing	1.08Å	1.08Å
C24	C25	sing	1.38Å	1.39Å	Aromatic
C24	H31	sing	1.08Å	1.08Å
C25	C26	sing	1.51Å	1.40Å
C26	F1	sing	1.40Å	1.38Å
C26	F2	sing	1.40Å	1.39Å
C26	P1	sing	1.82Å	1.98Å
P1	O12	doub	1.48Å	1.49Å
P1	O13	sing	1.61Å	1.48Å
P1	O14	sing	1.61Å	1.49Å
O13	H32	sing	0.97Å	0.95Å
O14	H33	sing	0.97Å	0.95Å
N6	C27	sing	1.47Å	1.46Å
N6	H34	sing	0.97Å	1.00Å
C27	C28	sing	1.51Å	1.52Å
C27	C29	sing	1.53Å	1.53Å
C27	H35	sing	1.09Å	1.10Å
C28	O15	doub	1.21Å	1.23Å
C29	C30	sing	1.53Å	1.53Å
C29	H36	sing	1.09Å	1.10Å
C29	H37	sing	1.09Å	1.10Å
C30	C31	sing	1.53Å	1.52Å
C30	C32	sing	1.53Å	1.52Å
C30	H38	sing	1.09Å	1.10Å
C31	H39	sing	1.09Å	1.10Å
C31	H40	sing	1.09Å	1.10Å
C31	H41	sing	1.09Å	1.10Å
C32	H42	sing	1.09Å	1.10Å
C32	H43	sing	1.09Å	1.10Å
C32	H44	sing	1.09Å	1.10Å
N7	H45	sing	0.97Å	1.00Å
N7	H46	sing	0.97Å	1.00Å
C13	N5	sing	1.35Å	1.33Å
C18	N6	sing	1.35Å	1.33Å
C28	N7	sing	1.35Å	1.33Å
C2	N2	sing	1.35Å	0.00Å
C6	N3	sing	1.35Å	42.19Å
C9	N4	sing	1.35Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	90.0°	111.0°
C1	N1	H2	90.0°	111.0°
N1	C1	C2	90.0°	109.5°
N1	C1	C3	90.0°	109.4°
N1	C1	H3	90.0°	109.5°
H1	N1	H2	90.0°	111.1°
C2	C1	C3	90.0°	109.5°
C2	C1	H3	90.0°	109.5°
C1	C2	O1	90.0°	120.0°
C1	C2	N2	90.0°	120.0°
C3	C1	H3	90.0°	109.5°
C1	C3	C4	90.0°	109.5°
C1	C3	H4	90.0°	109.4°
C1	C3	H5	90.0°	109.5°
O1	C2	N2	90.0°	120.0°
C4	C3	H4	90.0°	109.4°
C4	C3	H5	90.0°	109.5°
C3	C4	O2	90.0°	120.0°
C3	C4	O3	90.0°	120.1°
H4	C3	H5	90.0°	109.5°
O2	C4	O3	90.0°	120.0°
C4	O3	H6	90.0°	117.1°
C5	N2	H7	90.0°	120.0°
N2	C5	C6	90.0°	109.5°
N2	C5	C7	90.0°	109.5°
N2	C5	H8	90.0°	109.5°
C5	N2	C2	90.0°	120.0°
H7	N2	C2	90.0°	120.0°
C6	C5	C7	90.0°	109.5°
C6	C5	H8	90.0°	109.4°
C5	C6	O4	90.0°	119.9°
C5	C6	N3	90.0°	120.0°
C7	C5	H8	90.0°	109.4°
C5	C7	H9	90.0°	109.5°
C5	C7	H10	90.0°	109.4°
C5	C7	H11	90.0°	109.5°
O4	C6	N3	90.0°	120.0°
H9	C7	H10	90.0°	109.5°
H9	C7	H11	90.0°	109.5°
H10	C7	H11	90.0°	109.5°
C8	N3	H12	127.5°	120.0°
N3	C8	C9	110.7°	109.5°
N3	C8	C10	109.8°	109.5°
N3	C8	H13	109.1°	109.5°
C8	N3	C6	105.0°	120.0°
H12	N3	C6	127.5°	120.0°
C9	C8	C10	110.0°	109.4°
C9	C8	H13	108.6°	109.5°
C8	C9	O5	120.6°	120.0°
C8	C9	N4	116.5°	120.0°
C10	C8	H13	108.5°	109.4°
C8	C10	C11	112.7°	109.5°
C8	C10	H14	108.7°	109.5°
C8	C10	H15	108.7°	109.5°
O5	C9	N4	122.9°	120.0°
C11	C10	H14	108.7°	109.4°
C11	C10	H15	108.7°	109.5°
C10	C11	O6	118.5°	120.0°
C10	C11	O7	118.6°	120.0°
H14	C10	H15	109.5°	109.5°
O6	C11	O7	123.0°	120.0°
C11	O7	H16	109.5°	116.9°
C12	N4	H17	119.1°	120.0°
N4	C12	C13	110.7°	109.5°
N4	C12	C14	110.3°	109.4°
N4	C12	H18	109.2°	109.5°
C12	N4	C9	121.9°	120.0°
H17	N4	C9	119.1°	120.0°
C13	C12	C14	110.0°	109.4°
C13	C12	H18	108.4°	109.5°
C12	C13	O8	120.6°	120.0°
C12	C13	N5	116.5°	120.0°
C14	C12	H18	108.3°	109.5°
C12	C14	C15	113.8°	109.4°
C12	C14	H19	108.4°	109.5°
C12	C14	H20	108.4°	109.5°
O8	C13	N5	122.8°	120.0°
C15	C14	H19	108.4°	109.4°
C15	C14	H20	108.4°	109.5°
C14	C15	C16	113.0°	109.5°
C14	C15	H21	108.6°	109.5°
C14	C15	H22	108.6°	109.5°
H19	C14	H20	109.5°	109.5°
C16	C15	H21	108.6°	109.4°
C16	C15	H22	108.6°	109.5°
C15	C16	O9	118.2°	119.9°
C15	C16	O10	118.8°	120.0°
H21	C15	H22	109.5°	109.4°
O9	C16	O10	123.0°	120.1°
C16	O10	H23	109.5°	117.0°
C17	N5	H24	119.3°	120.0°
N5	C17	C18	111.1°	109.5°
N5	C17	C19	107.9°	109.5°
N5	C17	H25	110.1°	109.5°
C17	N5	C13	121.4°	120.0°
H24	N5	C13	119.3°	120.0°
C18	C17	C19	109.4°	109.4°
C18	C17	H25	109.2°	109.5°
C17	C18	O11	120.8°	120.0°
C17	C18	N6	116.4°	120.0°
C19	C17	H25	109.1°	109.5°
C17	C19	C20	117.1°	109.5°
C17	C19	H26	107.5°	109.5°
C17	C19	H27	107.5°	109.5°
O11	C18	N6	122.7°	120.0°
C20	C19	H26	107.5°	109.5°
C20	C19	H27	107.5°	109.5°
C19	C20	C21	120.8°	120.0°
C19	C20	C22	121.1°	120.0°
H26	C19	H27	109.4°	109.5°
C21	C20	C22	118.1°	120.0°
C20	C21	C23	121.4°	120.0°
C20	C21	H28	119.3°	120.0°
C20	C22	C24	121.2°	120.0°
C20	C22	H29	119.4°	120.0°
C23	C21	H28	119.3°	120.0°
C21	C23	C25	119.8°	120.0°
C21	C23	H30	120.1°	120.0°
C24	C22	H29	119.4°	120.0°
C22	C24	C25	120.1°	120.0°
C22	C24	H31	120.0°	120.0°
C25	C23	H30	120.1°	120.0°
C23	C25	C24	119.4°	120.0°
C23	C25	C26	120.8°	120.0°
C25	C24	H31	119.9°	120.0°
C24	C25	C26	119.8°	120.0°
C25	C26	F1	107.3°	109.4°
C25	C26	F2	107.4°	109.5°
C25	C26	P1	123.0°	109.5°
F1	C26	F2	112.4°	109.5°
F1	C26	P1	103.6°	109.5°
F2	C26	P1	103.2°	109.5°
C26	P1	O12	107.8°	109.5°
C26	P1	O13	109.4°	109.5°
C26	P1	O14	110.8°	109.5°
O12	P1	O13	109.5°	109.5°
O12	P1	O14	108.1°	109.4°
O13	P1	O14	111.2°	109.5°
P1	O13	H32	109.5°	114.0°
P1	O14	H33	109.5°	113.9°
C27	N6	H34	119.4°	120.0°
N6	C27	C28	111.9°	109.5°
N6	C27	C29	109.7°	109.5°
N6	C27	H35	109.2°	109.4°
C27	N6	C18	121.2°	120.0°
H34	N6	C18	119.4°	120.0°
C28	C27	C29	109.4°	109.5°
C28	C27	H35	108.3°	109.5°
C27	C28	O15	121.0°	120.0°
C27	C28	N7	116.8°	120.0°
C29	C27	H35	108.2°	109.4°
C27	C29	C30	116.4°	109.5°
C27	C29	H36	107.7°	109.5°
C27	C29	H37	107.7°	109.5°
O15	C28	N7	122.2°	120.0°
C30	C29	H36	107.7°	109.5°
C30	C29	H37	107.7°	109.5°
C29	C30	C31	109.3°	109.5°
C29	C30	C32	110.2°	109.5°
C29	C30	H38	108.7°	109.4°
H36	C29	H37	109.4°	109.4°
C31	C30	C32	110.8°	109.5°
C31	C30	H38	108.8°	109.5°
C30	C31	H39	109.5°	109.4°
C30	C31	H40	109.5°	109.5°
C30	C31	H41	109.5°	109.5°
C32	C30	H38	108.9°	109.5°
C30	C32	H42	109.5°	109.4°
C30	C32	H43	109.5°	109.4°
C30	C32	H44	109.5°	109.4°
H39	C31	H40	109.5°	109.5°
H39	C31	H41	109.4°	109.4°
H40	C31	H41	109.5°	109.5°
H42	C32	H43	109.4°	109.5°
H42	C32	H44	109.5°	109.5°
H43	C32	H44	109.5°	109.5°
H45	N7	H46	120.0°	120.0°
H45	N7	C28	120.0°	120.0°
H46	N7	C28	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	H2	90.0°	124.0°
N1	C1	C2	C3	90.0°	119.9°
N1	C1	C2	H3	90.0°	120.0°
N1	C1	C3	H3	90.0°	120.0°
N1	C1	C2	O1	90.0°	19.9°
N1	C1	C3	C4	90.0°	65.1°
N1	C1	C3	H4	90.0°	175.0°
N1	C1	C3	H5	90.0°	55.0°
N1	C1	C2	N2	90.0°	160.1°
H1	N1	C1	C2	90.0°	176.1°
H1	N1	C1	C3	90.0°	64.0°
H1	N1	C1	H3	90.0°	56.0°
H2	N1	C1	C2	90.0°	59.9°
H2	N1	C1	C3	90.0°	60.0°
H2	N1	C1	H3	90.0°	180.0°
C2	C1	C3	H3	90.0°	120.1°
C1	C2	O1	N2	90.0°	180.0°
C2	C1	C3	C4	90.0°	175.0°
C2	C1	C3	H4	90.0°	55.1°
C2	C1	C3	H5	90.0°	64.9°
C1	C2	N2	C5	90.0°	180.0°
C1	C2	N2	H7	90.0°	0.0°
C3	C1	C2	O1	90.0°	100.0°
C1	C3	C4	H4	90.0°	119.9°
C1	C3	C4	H5	90.0°	120.1°
C1	C3	H4	H5	90.0°	120.0°
C1	C3	C4	O2	90.0°	0.1°
C1	C3	C4	O3	90.0°	180.0°
C3	C1	C2	N2	90.0°	80.0°
H3	C1	C2	O1	90.0°	139.9°
H3	C1	C3	C4	90.0°	54.9°
H3	C1	C3	H4	90.0°	65.0°
H3	C1	C3	H5	90.0°	175.0°
H3	C1	C2	N2	90.0°	40.0°
O1	C2	N2	C5	90.0°	0.0°
O1	C2	N2	H7	90.0°	180.0°
C4	C3	H4	H5	90.0°	120.0°
C3	C4	O2	O3	90.0°	179.9°
C3	C4	O3	H6	90.0°	180.0°
H4	C3	C4	O2	90.0°	120.0°
H4	C3	C4	O3	90.0°	60.1°
H5	C3	C4	O2	90.0°	120.0°
H5	C3	C4	O3	90.0°	59.9°
O2	C4	O3	H6	90.0°	0.0°
C5	N2	H7	C2	90.0°	180.0°
N2	C5	C6	C7	90.0°	120.0°
N2	C5	C6	H8	90.0°	120.1°
N2	C5	C7	H8	90.0°	120.1°
N2	C5	C6	O4	90.0°	0.1°
N2	C5	C7	H9	90.0°	60.0°
N2	C5	C7	H10	90.0°	180.0°
N2	C5	C7	H11	90.0°	60.0°
N2	C5	C6	N3	90.0°	180.0°
H7	N2	C5	C6	90.0°	25.0°
H7	N2	C5	C7	90.0°	95.0°
H7	N2	C5	H8	90.0°	145.0°
C6	C5	C7	H8	90.0°	119.9°
C5	C6	O4	N3	90.0°	179.9°
C6	C5	C7	H9	90.0°	180.0°
C6	C5	C7	H10	90.0°	59.9°
C6	C5	C7	H11	90.0°	60.0°
C5	C6	N3	C8	90.0°	175.2°
C5	C6	N3	H12	90.0°	4.7°
C6	C5	N2	C2	90.0°	155.0°
C7	C5	C6	O4	90.0°	120.0°
C5	C7	H9	H10	90.0°	120.0°
C5	C7	H9	H11	90.0°	120.0°
C5	C7	H10	H11	90.0°	120.0°
C7	C5	N2	C2	90.0°	85.0°
C7	C5	C6	N3	90.0°	59.9°
H8	C5	C6	O4	90.0°	120.1°
H8	C5	C7	H9	90.0°	60.1°
H8	C5	C7	H10	90.0°	59.9°
H8	C5	C7	H11	90.0°	179.9°
H8	C5	N2	C2	90.0°	35.0°
H8	C5	C6	N3	90.0°	60.0°
O4	C6	N3	C8	90.0°	4.9°
O4	C6	N3	H12	90.0°	175.2°
H9	C7	H10	H11	90.0°	120.0°
C8	N3	H12	C6	180.0°	179.9°
N3	C8	C9	C10	121.6°	120.0°
N3	C8	C9	H13	119.8°	120.1°
N3	C8	C10	H13	119.2°	120.0°
N3	C8	C9	O5	114.5°	0.1°
N3	C8	C10	C11	178.2°	65.6°
N3	C8	C10	H14	57.7°	54.4°
N3	C8	C10	H15	61.3°	174.4°
N3	C8	C9	N4	65.6°	180.0°
H12	N3	C8	C9	44.9°	98.1°
H12	N3	C8	C10	76.8°	21.8°
H12	N3	C8	H13	164.3°	141.8°
C9	C8	C10	H13	118.7°	120.0°
C8	C9	O5	N4	180.0°	179.9°
C9	C8	C10	C11	59.7°	174.4°
C9	C8	C10	H14	179.9°	65.7°
C9	C8	C10	H15	60.8°	54.4°
C8	C9	N4	C12	179.9°	180.0°
C8	C9	N4	H17	0.1°	0.1°
C9	C8	N3	C6	135.1°	81.8°
C10	C8	C9	O5	124.0°	120.1°
C8	C10	C11	H14	120.5°	120.0°
C8	C10	C11	H15	120.5°	120.0°
C8	C10	H14	H15	118.6°	120.1°
C8	C10	C11	O6	52.7°	5.6°
C8	C10	C11	O7	127.7°	174.4°
C10	C8	N3	C6	103.1°	158.2°
C10	C8	C9	N4	56.0°	60.0°
H13	C8	C9	O5	5.3°	120.0°
H13	C8	C10	C11	59.0°	54.4°
H13	C8	C10	H14	61.5°	174.4°
H13	C8	C10	H15	179.5°	65.6°
H13	C8	N3	C6	15.7°	38.3°
H13	C8	C9	N4	174.7°	59.9°
O5	C9	N4	C12	0.1°	0.1°
O5	C9	N4	H17	179.9°	180.0°
C11	C10	H14	H15	118.5°	120.0°
C10	C11	O6	O7	179.6°	180.0°
C10	C11	O7	H16	179.6°	180.0°
H14	C10	C11	O6	67.8°	125.5°
H14	C10	C11	O7	111.8°	54.4°
H15	C10	C11	O6	173.2°	114.5°
H15	C10	C11	O7	7.2°	65.6°
O6	C11	O7	H16	0.0°	0.0°
C12	N4	H17	C9	180.0°	179.9°
N4	C12	C13	C14	122.1°	119.9°
N4	C12	C13	H18	119.7°	120.0°
N4	C12	C14	H18	119.4°	120.0°
N4	C12	C13	O8	35.4°	0.1°
N4	C12	C14	C15	69.1°	65.0°
N4	C12	C14	H19	51.6°	55.0°
N4	C12	C14	H20	170.3°	175.0°
N4	C12	C13	N5	144.5°	180.0°
H17	N4	C12	C13	63.2°	24.9°
H17	N4	C12	C14	58.8°	95.0°
H17	N4	C12	H18	177.7°	145.0°
C13	C12	C14	H18	118.2°	120.1°
C12	C13	O8	N5	179.9°	179.9°
C13	C12	C14	C15	168.6°	175.0°
C13	C12	C14	H19	70.8°	65.0°
C13	C12	C14	H20	48.0°	55.1°
C12	C13	N5	C17	179.1°	180.0°
C12	C13	N5	H24	0.9°	0.0°
C13	C12	N4	C9	116.8°	155.0°
C14	C12	C13	O8	86.7°	120.0°
C12	C14	C15	H19	120.6°	120.0°
C12	C14	C15	H20	120.7°	120.0°
C12	C14	H19	H20	118.0°	120.0°
C12	C14	C15	C16	179.1°	180.0°
C12	C14	C15	H21	58.6°	60.0°
C12	C14	C15	H22	60.4°	60.0°
C14	C12	C13	N5	93.4°	60.1°
C14	C12	N4	C9	121.2°	85.1°
H18	C12	C13	O8	155.1°	119.9°
H18	C12	C14	C15	50.4°	55.0°
H18	C12	C14	H19	171.0°	174.9°
H18	C12	C14	H20	70.3°	65.0°
H18	C12	C13	N5	24.8°	60.0°
H18	C12	N4	C9	2.4°	34.9°
O8	C13	N5	C17	0.8°	0.1°
O8	C13	N5	H24	179.2°	179.9°
C15	C14	H19	H20	118.0°	120.0°
C14	C15	C16	H21	120.5°	120.0°
C14	C15	C16	H22	120.6°	120.1°
C14	C15	H21	H22	118.4°	120.0°
C14	C15	C16	O9	176.5°	0.0°
C14	C15	C16	O10	3.8°	180.0°
H19	C14	C15	C16	60.3°	60.0°
H19	C14	C15	H21	179.2°	180.0°
H19	C14	C15	H22	60.3°	60.1°
H20	C14	C15	C16	58.4°	60.0°
H20	C14	C15	H21	62.1°	60.0°
H20	C14	C15	H22	179.0°	180.0°
C16	C15	H21	H22	118.4°	120.0°
C15	C16	O9	O10	179.6°	179.9°
C15	C16	O10	H23	179.6°	179.9°
H21	C15	C16	O9	56.0°	120.0°
H21	C15	C16	O10	124.3°	60.0°
H22	C15	C16	O9	62.9°	120.1°
H22	C15	C16	O10	116.7°	60.0°
O9	C16	O10	H23	0.0°	0.1°
C17	N5	H24	C13	180.0°	180.0°
N5	C17	C18	C19	119.0°	120.0°
N5	C17	C18	H25	121.7°	120.1°
N5	C17	C19	H25	119.6°	120.0°
N5	C17	C18	O11	178.2°	0.0°
N5	C17	C19	C20	176.1°	65.0°
N5	C17	C19	H26	62.8°	55.0°
N5	C17	C19	H27	55.0°	175.0°
N5	C17	C18	N6	4.6°	180.0°
H24	N5	C17	C18	82.6°	95.0°
H24	N5	C17	C19	37.3°	25.0°
H24	N5	C17	H25	156.2°	145.0°
C18	C17	C19	H25	119.4°	120.0°
C17	C18	O11	N6	177.0°	180.0°
C18	C17	C19	C20	55.1°	175.0°
C18	C17	C19	H26	176.2°	65.0°
C18	C17	C19	H27	66.0°	55.0°
C17	C18	N6	C27	179.0°	180.0°
C17	C18	N6	H34	1.0°	0.0°
C18	C17	N5	C13	97.4°	85.0°
C19	C17	C18	O11	62.8°	120.0°
C17	C19	C20	H26	121.1°	120.0°
C17	C19	C20	H27	121.1°	120.0°
C17	C19	H26	H27	116.5°	120.0°
C17	C19	C20	C21	106.3°	90.0°
C17	C19	C20	C22	74.4°	90.3°
C19	C17	N5	C13	142.7°	155.0°
C19	C17	C18	N6	114.4°	60.0°
H25	C17	C18	O11	56.6°	120.0°
H25	C17	C19	C20	64.3°	55.0°
H25	C17	C19	H26	56.8°	175.0°
H25	C17	C19	H27	174.6°	65.0°
H25	C17	N5	C13	23.8°	35.0°
H25	C17	C18	N6	126.2°	60.0°
O11	C18	N6	C27	1.8°	0.0°
O11	C18	N6	H34	178.2°	180.0°
C20	C19	H26	H27	116.5°	120.0°
C19	C20	C21	C22	179.3°	179.7°
C19	C20	C21	C23	179.2°	180.0°
C19	C20	C21	H28	0.8°	0.1°
C19	C20	C22	C24	179.2°	180.0°
C19	C20	C22	H29	0.8°	0.0°
H26	C19	C20	C21	132.6°	30.0°
H26	C19	C20	C22	46.7°	149.7°
H27	C19	C20	C21	14.8°	150.0°
H27	C19	C20	C22	164.5°	29.7°
C20	C21	C23	H28	180.0°	179.9°
C21	C20	C22	C24	0.1°	0.4°
C21	C20	C22	H29	180.0°	179.6°
C20	C21	C23	C25	0.0°	0.1°
C20	C21	C23	H30	180.0°	179.9°
C22	C20	C21	C23	0.1°	0.4°
C22	C20	C21	H28	180.0°	179.8°
C20	C22	C24	H29	180.0°	180.0°
C20	C22	C24	C25	0.0°	0.1°
C20	C22	C24	H31	180.0°	180.0°
C21	C23	C25	H30	180.0°	180.0°
C21	C23	C25	C24	0.1°	0.2°
C21	C23	C25	C26	179.1°	180.0°
H28	C21	C23	C25	180.0°	180.0°
H28	C21	C23	H30	0.1°	0.0°
C22	C24	C25	C23	0.1°	0.2°
C22	C24	C25	H31	180.0°	179.9°
C22	C24	C25	C26	179.1°	180.0°
H29	C22	C24	C25	180.0°	179.9°
H29	C22	C24	H31	0.0°	0.0°
C23	C25	C24	C26	179.2°	179.8°
C23	C25	C24	H31	179.9°	179.7°
C23	C25	C26	F1	141.9°	34.9°
C23	C25	C26	F2	20.9°	154.9°
C23	C25	C26	P1	98.4°	85.1°
H30	C23	C25	C24	179.9°	179.8°
H30	C23	C25	C26	0.9°	0.0°
C24	C25	C26	F1	38.9°	144.9°
C24	C25	C26	F2	159.9°	24.9°
C24	C25	C26	P1	80.8°	95.1°
H31	C24	C25	C26	0.9°	0.1°
C25	C26	F1	F2	117.8°	120.0°
C25	C26	F1	P1	131.5°	120.0°
C25	C26	F2	P1	131.3°	120.0°
C25	C26	P1	O12	64.0°	175.1°
C25	C26	P1	O13	177.0°	55.1°
C25	C26	P1	O14	54.1°	64.9°
F1	C26	F2	P1	110.9°	120.0°
F1	C26	P1	O12	57.4°	64.9°
F1	C26	P1	O13	61.5°	175.1°
F1	C26	P1	O14	175.5°	55.1°
F2	C26	P1	O12	174.8°	55.1°
F2	C26	P1	O13	55.8°	64.9°
F2	C26	P1	O14	67.1°	175.1°
C26	P1	O12	O13	118.9°	120.0°
C26	P1	O12	O14	119.8°	120.0°
C26	P1	O13	O14	122.7°	120.0°
C26	P1	O13	H32	117.9°	60.1°
C26	P1	O14	H33	117.9°	180.0°
O12	P1	O13	O14	119.4°	120.0°
O12	P1	O13	H32	0.0°	179.9°
O12	P1	O14	H33	0.0°	60.1°
O13	P1	O14	H33	120.3°	59.9°
O14	P1	O13	H32	119.4°	59.9°
C27	N6	H34	C18	180.0°	180.0°
N6	C27	C28	C29	121.8°	120.0°
N6	C27	C28	H35	120.4°	120.0°
N6	C27	C29	H35	119.1°	119.9°
N6	C27	C28	O15	5.8°	0.0°
N6	C27	C29	C30	51.7°	65.0°
N6	C27	C29	H36	69.3°	55.1°
N6	C27	C29	H37	172.7°	175.0°
N6	C27	C28	N7	174.9°	180.0°
H34	N6	C27	C28	54.6°	95.0°
H34	N6	C27	C29	67.0°	25.0°
H34	N6	C27	H35	174.5°	144.9°
C28	C27	C29	H35	117.8°	120.1°
C27	C28	O15	N7	179.3°	180.0°
C28	C27	C29	C30	174.8°	175.0°
C28	C27	C29	H36	53.8°	64.9°
C28	C27	C29	H37	64.2°	55.0°
C27	C28	N7	H45	179.3°	0.0°
C27	C28	N7	H46	0.7°	179.9°
C28	C27	N6	C18	125.4°	85.0°
C29	C27	C28	O15	116.0°	120.0°
C27	C29	C30	H36	121.0°	120.0°
C27	C29	C30	H37	121.0°	120.0°
C27	C29	H36	H37	116.9°	120.0°
C27	C29	C30	C31	171.2°	175.0°
C27	C29	C30	C32	66.7°	65.0°
C27	C29	C30	H38	52.5°	55.0°
C29	C27	N6	C18	113.0°	155.0°
C29	C27	C28	N7	63.3°	60.0°
H35	C27	C28	O15	126.3°	120.0°
H35	C27	C29	C30	67.4°	54.9°
H35	C27	C29	H36	171.6°	175.0°
H35	C27	C29	H37	53.7°	65.1°
H35	C27	N6	C18	5.5°	35.0°
H35	C27	C28	N7	54.4°	60.0°
O15	C28	N7	H45	0.0°	180.0°
O15	C28	N7	H46	180.0°	0.0°
C30	C29	H36	H37	116.8°	120.0°
C29	C30	C31	C32	121.7°	120.0°
C29	C30	C31	H38	118.6°	120.0°
C29	C30	C32	H38	119.1°	120.0°
C29	C30	C31	H39	180.0°	60.0°
C29	C30	C31	H40	60.0°	180.0°
C29	C30	C31	H41	60.0°	59.9°
C29	C30	C32	H42	180.0°	60.0°
C29	C30	C32	H43	60.0°	60.0°
C29	C30	C32	H44	60.0°	180.0°
H36	C29	C30	C31	50.2°	54.9°
H36	C29	C30	C32	172.3°	175.0°
H36	C29	C30	H38	68.5°	65.1°
H37	C29	C30	C31	67.7°	65.0°
H37	C29	C30	C32	54.3°	55.0°
H37	C29	C30	H38	173.6°	175.0°
C31	C30	C32	H38	119.7°	120.0°
C30	C31	H39	H40	120.0°	120.0°
C30	C31	H39	H41	120.0°	119.9°
C30	C31	H40	H41	120.0°	120.1°
C31	C30	C32	H42	58.8°	60.1°
C31	C30	C32	H43	61.2°	179.9°
C31	C30	C32	H44	178.8°	60.0°
C32	C30	C31	H39	58.3°	60.1°
C32	C30	C31	H40	178.3°	59.9°
C32	C30	C31	H41	61.7°	180.0°
C30	C32	H42	H43	120.0°	119.9°
C30	C32	H42	H44	120.0°	120.0°
C30	C32	H43	H44	120.0°	120.0°
H38	C30	C31	H39	61.4°	180.0°
H38	C30	C31	H40	58.6°	60.1°
H38	C30	C31	H41	178.6°	60.0°
H38	C30	C32	H42	60.9°	179.9°
H38	C30	C32	H43	179.1°	60.0°
H38	C30	C32	H44	59.2°	60.0°
H39	C31	H40	H41	120.0°	120.0°
H42	C32	H43	H44	120.0°	120.1°
H45	N7	H46	C28	180.0°	180.0°

Release date:	2012-12-12
Last modified:	2023-09-20
Processing site:	PDBE