HWS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	C20	sing	0.00Å	1.53Å
C21	O6	sing	0.00Å	1.43Å
C20	C19	sing	0.00Å	1.50Å
O6	C23	sing	0.00Å	1.46Å
O10	C23	doub	0.00Å	1.21Å
C23	C24	sing	0.00Å	1.50Å
C19	C18	doub	0.00Å	1.33Å
O13	C34	doub	0.00Å	1.21Å
C18	C17	sing	0.00Å	1.47Å
C24	N6	sing	0.00Å	1.45Å
C24	C25	sing	0.00Å	1.52Å
C34	N6	sing	0.00Å	1.33Å
C34	C35	sing	0.00Å	1.50Å
C33	C30	sing	0.00Å	1.50Å
C25	C26	sing	0.00Å	1.52Å
C17	O8	doub	0.00Å	1.44Å
C17	N4	sing	0.00Å	1.31Å
O8	FE	sing	0.00Å	1.85Å
O9	C32	sing	0.00Å	1.43Å
C12	C13	sing	0.00Å	1.49Å
C30	C31	sing	0.00Å	1.52Å
C30	C29	doub	0.00Å	1.34Å
C31	C32	sing	0.00Å	1.52Å
C11	N4	sing	0.00Å	1.46Å
C11	C10	sing	0.00Å	1.52Å
N4	O7	sing	0.00Å	1.27Å
C26	C27	sing	0.00Å	1.52Å
C10	C9	sing	0.00Å	1.52Å
O11	N5	sing	0.00Å	1.27Å
O11	FE	sing	0.00Å	1.89Å
O3	FE	sing	0.00Å	1.87Å
O3	C6	doub	0.00Å	1.47Å
N5	C28	sing	0.00Å	1.31Å
N5	C27	sing	0.00Å	1.46Å
C29	C28	sing	0.00Å	1.48Å
O7	FE	sing	0.00Å	1.89Å
FE	O12	sing	0.00Å	1.88Å
FE	O2	sing	0.00Å	1.84Å
C28	O12	doub	0.00Å	1.42Å
C9	C8	sing	0.00Å	1.52Å
C13	C14	sing	0.00Å	1.51Å
C13	C16	doub	0.00Å	1.34Å
C15	C14	sing	0.00Å	1.52Å
C15	O5	sing	0.00Å	1.42Å
N3	C8	sing	0.00Å	1.45Å
N3	C1	sing	0.00Å	1.32Å
O1	C1	doub	0.00Å	1.21Å
C6	C16	sing	0.00Å	1.49Å
C6	N1	sing	0.00Å	1.35Å
C8	C7	sing	0.00Å	1.49Å
C1	C2	sing	0.00Å	1.50Å
O2	N1	sing	0.00Å	1.26Å
N1	C5	sing	0.00Å	1.45Å
C7	O4	doub	0.00Å	1.21Å
C7	N2	sing	0.00Å	1.32Å
C3	C2	sing	0.00Å	1.54Å
C3	C4	sing	0.00Å	1.52Å
C2	N2	sing	0.00Å	1.45Å
C5	C4	sing	0.00Å	1.53Å
C2	H1	sing	0.00Å	1.10Å
C3	H2	sing	0.00Å	1.10Å
C3	H3	sing	0.00Å	1.10Å
C4	H4	sing	0.00Å	1.10Å
C4	H5	sing	0.00Å	1.10Å
C5	H6	sing	0.00Å	1.10Å
C5	H7	sing	0.00Å	1.10Å
N2	H9	sing	0.00Å	1.00Å
C8	H10	sing	0.00Å	1.10Å
C9	H11	sing	0.00Å	1.10Å
C9	H12	sing	0.00Å	1.10Å
C10	H13	sing	0.00Å	1.10Å
C10	H14	sing	0.00Å	1.10Å
C11	H15	sing	0.00Å	1.10Å
C11	H16	sing	0.00Å	1.10Å
N3	H17	sing	0.00Å	1.00Å
C12	H18	sing	0.00Å	1.10Å
C12	H19	sing	0.00Å	1.10Å
C12	H20	sing	0.00Å	1.10Å
C14	H21	sing	0.00Å	1.10Å
C14	H22	sing	0.00Å	1.10Å
C15	H23	sing	0.00Å	1.10Å
C15	H24	sing	0.00Å	1.10Å
O5	H25	sing	0.00Å	0.95Å
C16	H26	sing	0.00Å	1.08Å
C18	H28	sing	0.00Å	1.08Å
C20	H30	sing	0.00Å	1.10Å
C20	H31	sing	0.00Å	1.10Å
C21	H32	sing	0.00Å	1.10Å
C21	H33	sing	0.00Å	1.10Å
C24	H34	sing	0.00Å	1.10Å
C25	H35	sing	0.00Å	1.10Å
C25	H36	sing	0.00Å	1.10Å
C26	H37	sing	0.00Å	1.10Å
C26	H38	sing	0.00Å	1.10Å
C27	H39	sing	0.00Å	1.10Å
C27	H40	sing	0.00Å	1.10Å
C29	H42	sing	0.00Å	1.08Å
C31	H43	sing	0.00Å	1.10Å
C31	H44	sing	0.00Å	1.10Å
C32	H45	sing	0.00Å	1.10Å
C32	H46	sing	0.00Å	1.10Å
O9	H47	sing	0.00Å	0.95Å
C33	H48	sing	0.00Å	1.10Å
C33	H49	sing	0.00Å	1.10Å
C33	H50	sing	0.00Å	1.10Å
N6	H51	sing	0.00Å	1.00Å
C35	H52	sing	0.00Å	1.10Å
C35	H53	sing	0.00Å	1.10Å
C35	H54	sing	0.00Å	1.10Å
C19	C22	sing	0.00Å	39.58Å
C22	H8	sing	0.00Å	0.00Å
C22	H27	sing	0.00Å	0.00Å
C22	H29	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C21	O6	113.6°	90.0°
C21	C20	C19	109.8°	90.0°
C21	C20	H30	109.4°	90.0°
C21	C20	H31	109.4°	90.0°
C20	C21	H32	108.4°	90.0°
C20	C21	H33	108.4°	90.0°
C21	O6	C23	121.4°	90.0°
O6	C21	H32	108.4°	90.0°
O6	C21	H33	108.4°	90.0°
C20	C19	C18	118.9°	90.0°
C19	C20	H30	109.4°	90.0°
C19	C20	H31	109.4°	90.0°
C20	C19	C22	87.0°	90.0°
O6	C23	O10	118.0°	90.0°
O6	C23	C24	123.3°	90.0°
O10	C23	C24	118.7°	90.0°
C23	C24	N6	109.9°	90.0°
C23	C24	C25	111.9°	90.0°
C23	C24	H34	108.6°	90.0°
C19	C18	C17	120.4°	90.0°
C19	C18	H28	119.8°	90.0°
C18	C19	C22	139.6°	90.0°
O13	C34	N6	122.2°	90.0°
O13	C34	C35	122.0°	90.0°
C18	C17	O8	127.4°	90.0°
C18	C17	N4	120.4°	90.0°
C17	C18	H28	119.8°	90.0°
N6	C24	C25	108.7°	90.0°
C24	N6	C34	122.8°	90.0°
N6	C24	H34	109.2°	90.0°
C24	N6	H51	118.6°	90.0°
C24	C25	C26	111.3°	90.0°
C25	C24	H34	108.4°	90.0°
C24	C25	H35	109.0°	90.0°
C24	C25	H36	109.0°	90.0°
N6	C34	C35	115.8°	90.0°
C34	N6	H51	118.6°	90.0°
C34	C35	H52	109.5°	90.0°
C34	C35	H53	109.5°	90.0°
C34	C35	H54	109.5°	90.0°
C33	C30	C31	120.2°	90.0°
C33	C30	C29	120.3°	90.0°
C30	C33	H48	109.5°	90.0°
C30	C33	H49	109.4°	90.0°
C30	C33	H50	109.5°	90.0°
C25	C26	C27	110.3°	90.0°
C26	C25	H35	109.0°	90.0°
C26	C25	H36	109.0°	90.0°
C25	C26	H37	109.3°	90.0°
C25	C26	H38	109.3°	90.0°
O8	C17	N4	112.1°	90.0°
C17	O8	FE	113.3°	90.0°
C17	N4	C11	125.1°	90.0°
C17	N4	O7	111.2°	90.0°
O8	FE	O11	77.0°	90.0°
O8	FE	O3	70.0°	90.0°
O8	FE	O7	78.5°	90.0°
O8	FE	O12	113.3°	90.0°
O8	FE	O2	133.5°	90.0°
O9	C32	C31	110.6°	90.0°
O9	C32	H45	109.2°	90.0°
O9	C32	H46	109.2°	90.0°
C32	O9	H47	109.5°	90.0°
C12	C13	C14	117.9°	90.0°
C12	C13	C16	122.7°	90.0°
C13	C12	H18	109.5°	90.0°
C13	C12	H19	109.5°	90.0°
C13	C12	H20	109.4°	90.0°
C31	C30	C29	119.5°	90.0°
C30	C31	C32	113.6°	90.0°
C30	C31	H43	108.4°	90.0°
C30	C31	H44	108.4°	90.0°
C30	C29	C28	123.3°	90.0°
C30	C29	H42	118.3°	90.0°
C32	C31	H43	108.4°	90.0°
C32	C31	H44	108.4°	90.0°
C31	C32	H45	109.2°	90.0°
C31	C32	H46	109.2°	90.0°
N4	C11	C10	110.1°	90.0°
C11	N4	O7	123.7°	90.0°
N4	C11	H15	109.3°	90.0°
N4	C11	H16	109.3°	90.0°
C11	C10	C9	109.4°	90.0°
C11	C10	H13	109.5°	90.0°
C11	C10	H14	109.5°	90.0°
C10	C11	H15	109.3°	90.0°
C10	C11	H16	109.3°	90.0°
N4	O7	FE	120.0°	90.0°
C26	C27	N5	106.2°	90.0°
C27	C26	H37	109.3°	90.0°
C27	C26	H38	109.3°	90.0°
C26	C27	H39	110.3°	90.0°
C26	C27	H40	110.3°	90.0°
C10	C9	C8	112.9°	90.0°
C10	C9	H11	108.6°	90.0°
C10	C9	H12	108.6°	90.0°
C9	C10	H13	109.5°	90.0°
C9	C10	H14	109.5°	90.0°
N5	O11	FE	120.0°	90.0°
O11	N5	C28	109.5°	90.0°
O11	N5	C27	122.2°	90.0°
O11	FE	O3	142.5°	90.0°
O11	FE	O7	71.6°	90.0°
O11	FE	O12	74.5°	90.0°
O11	FE	O2	128.1°	90.0°
FE	O3	C6	102.5°	90.0°
O3	FE	O7	116.9°	90.0°
O3	FE	O12	102.5°	90.0°
O3	FE	O2	88.3°	90.0°
O3	C6	C16	128.6°	90.0°
O3	C6	N1	116.8°	90.0°
C28	N5	C27	128.1°	90.0°
N5	C28	C29	129.6°	90.0°
N5	C28	O12	108.2°	90.0°
N5	C27	H39	110.3°	90.0°
N5	C27	H40	110.3°	90.0°
C29	C28	O12	122.2°	90.0°
C28	C29	H42	118.4°	90.0°
O7	FE	O12	140.3°	90.0°
O7	FE	O2	75.7°	90.0°
O12	FE	O2	111.3°	90.0°
FE	O12	C28	117.6°	90.0°
FE	O2	N1	111.5°	90.0°
C9	C8	N3	110.2°	90.0°
C9	C8	C7	109.1°	90.0°
C9	C8	H10	107.2°	90.0°
C8	C9	H11	108.6°	90.0°
C8	C9	H12	108.6°	90.0°
C14	C13	C16	119.4°	90.0°
C13	C14	C15	108.3°	90.0°
C13	C14	H21	109.8°	90.0°
C13	C14	H22	109.8°	90.0°
C13	C16	C6	127.9°	90.0°
C13	C16	H26	116.1°	90.0°
C14	C15	O5	107.9°	90.0°
C15	C14	H21	109.7°	90.0°
C15	C14	H22	109.8°	90.0°
C14	C15	H23	109.9°	90.0°
C14	C15	H24	109.9°	90.0°
O5	C15	H23	109.8°	90.0°
O5	C15	H24	109.8°	90.0°
C15	O5	H25	109.5°	90.0°
C8	N3	C1	124.4°	90.0°
N3	C8	C7	114.5°	90.0°
N3	C8	H10	108.1°	90.0°
C8	N3	H17	117.8°	90.0°
N3	C1	O1	121.8°	90.0°
N3	C1	C2	118.8°	90.0°
C1	N3	H17	117.8°	90.0°
O1	C1	C2	119.5°	90.0°
C16	C6	N1	114.6°	90.0°
C6	C16	H26	116.0°	90.0°
C6	N1	O2	116.8°	90.0°
C6	N1	C5	125.8°	90.0°
C8	C7	O4	119.5°	90.0°
C8	C7	N2	119.0°	90.0°
C7	C8	H10	107.5°	90.0°
C1	C2	C3	108.4°	90.0°
C1	C2	N2	114.1°	90.0°
C1	C2	H1	107.2°	90.0°
O2	N1	C5	117.4°	90.0°
N1	C5	C4	104.9°	90.0°
N1	C5	H6	110.6°	90.0°
N1	C5	H7	110.6°	90.0°
O4	C7	N2	121.5°	90.0°
C7	N2	C2	124.9°	90.0°
C7	N2	H9	117.5°	90.0°
C2	C3	C4	116.7°	90.0°
C3	C2	N2	112.2°	90.0°
C3	C2	H1	106.7°	90.0°
C2	C3	H2	107.6°	90.0°
C2	C3	H3	107.6°	90.0°
C3	C4	C5	110.0°	90.0°
C4	C3	H2	107.6°	90.0°
C4	C3	H3	107.7°	90.0°
C3	C4	H4	109.3°	90.0°
C3	C4	H5	109.3°	90.0°
N2	C2	H1	107.8°	90.0°
C2	N2	H9	117.5°	90.0°
C5	C4	H4	109.3°	90.0°
C5	C4	H5	109.3°	90.0°
C4	C5	H6	110.6°	90.0°
C4	C5	H7	110.6°	90.0°
H2	C3	H3	109.5°	90.0°
H4	C4	H5	109.5°	90.0°
H6	C5	H7	109.5°	90.0°
H11	C9	H12	109.5°	90.0°
H13	C10	H14	109.5°	90.0°
H15	C11	H16	109.5°	90.0°
H18	C12	H19	109.5°	90.0°
H18	C12	H20	109.4°	90.0°
H19	C12	H20	109.5°	90.0°
H21	C14	H22	109.5°	90.0°
H23	C15	H24	109.5°	90.0°
H30	C20	H31	109.5°	90.0°
H32	C21	H33	109.4°	90.0°
H35	C25	H36	109.4°	90.0°
H37	C26	H38	109.5°	90.0°
H39	C27	H40	109.5°	90.0°
H43	C31	H44	109.5°	90.0°
H45	C32	H46	109.5°	90.0°
H48	C33	H49	109.5°	90.0°
H48	C33	H50	109.4°	90.0°
H49	C33	H50	109.5°	90.0°
H52	C35	H53	109.4°	90.0°
H52	C35	H54	109.5°	90.0°
H53	C35	H54	109.5°	90.0°
C19	C22	H8	90.0°	90.0°
C19	C22	H27	90.0°	90.0°
C19	C22	H29	90.0°	90.0°
H8	C22	H27	90.0°	90.0°
H8	C22	H29	90.0°	90.0°
H27	C22	H29	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C21	O6	H32	120.6°	90.0°
C20	C21	O6	H33	120.6°	90.0°
C21	C20	C19	H30	120.0°	90.0°
C21	C20	C19	H31	120.0°	90.0°
C20	C21	O6	C23	121.2°	90.0°
C21	C20	C19	C18	137.2°	90.0°
C21	C20	H30	H31	119.9°	90.0°
C20	C21	H32	H33	118.1°	90.0°
C21	C20	C19	C22	75.5°	90.0°
O6	C21	C20	C19	79.9°	90.0°
C21	O6	C23	O10	58.8°	90.0°
C21	O6	C23	C24	122.4°	90.0°
O6	C21	C20	H30	160.1°	90.0°
O6	C21	C20	H31	40.1°	90.0°
O6	C21	H32	H33	118.1°	90.0°
C20	C19	C18	C22	123.7°	90.0°
C20	C19	C18	C17	178.8°	90.0°
C20	C19	C18	H28	1.2°	90.0°
C19	C20	H30	H31	119.9°	90.0°
C19	C20	C21	H32	159.5°	90.0°
C19	C20	C21	H33	40.8°	90.0°
C20	C19	C22	H8	90.0°	90.0°
C20	C19	C22	H27	90.0°	90.0°
C20	C19	C22	H29	90.0°	90.0°
O6	C23	O10	C24	178.8°	90.0°
O6	C23	C24	N6	139.6°	90.0°
O6	C23	C24	C25	99.5°	90.0°
C23	O6	C21	H32	118.1°	90.0°
C23	O6	C21	H33	0.6°	90.0°
O6	C23	C24	H34	20.1°	90.0°
O10	C23	C24	N6	39.2°	90.0°
O10	C23	C24	C25	81.8°	90.0°
O10	C23	C24	H34	158.6°	90.0°
C23	C24	N6	C25	122.8°	90.0°
C23	C24	N6	H34	119.1°	90.0°
C23	C24	C25	H34	119.8°	90.0°
C23	C24	N6	C34	86.4°	90.0°
C23	C24	C25	C26	152.0°	90.0°
C23	C24	C25	H35	31.7°	90.0°
C23	C24	C25	H36	87.7°	90.0°
C23	C24	N6	H51	93.5°	90.0°
C19	C18	C17	H28	180.0°	90.0°
C19	C18	C17	O8	18.3°	90.0°
C19	C18	C17	N4	157.1°	90.0°
C18	C19	C20	H30	102.7°	90.0°
C18	C19	C20	H31	17.2°	90.0°
C18	C19	C22	H8	90.0°	90.0°
C18	C19	C22	H27	90.0°	90.0°
C18	C19	C22	H29	90.0°	90.0°
O13	C34	N6	C24	13.9°	90.0°
O13	C34	N6	C35	179.3°	90.0°
O13	C34	N6	H51	166.1°	90.0°
O13	C34	C35	H52	0.0°	90.0°
O13	C34	C35	H53	120.0°	90.0°
O13	C34	C35	H54	120.0°	90.0°
C18	C17	O8	N4	175.7°	90.0°
C18	C17	O8	FE	153.7°	90.0°
C18	C17	N4	C11	29.8°	90.0°
C18	C17	N4	O7	152.1°	90.0°
C17	C18	C19	C22	57.6°	90.0°
N6	C24	C25	H34	118.6°	90.0°
C24	N6	C34	H51	180.0°	90.0°
C24	N6	C34	C35	166.9°	90.0°
N6	C24	C25	C26	30.4°	90.0°
N6	C24	C25	H35	89.9°	90.0°
N6	C24	C25	H36	150.7°	90.0°
C25	C24	N6	C34	150.7°	90.0°
C24	C25	C26	H35	120.3°	90.0°
C24	C25	C26	H36	120.3°	90.0°
C24	C25	C26	C27	132.9°	90.0°
C24	C25	H35	H36	119.1°	90.0°
C24	C25	C26	H37	12.8°	90.0°
C24	C25	C26	H38	106.9°	90.0°
C25	C24	N6	H51	29.3°	90.0°
C34	N6	C24	H34	32.6°	90.0°
N6	C34	C35	H52	179.3°	90.0°
N6	C34	C35	H53	59.3°	90.0°
N6	C34	C35	H54	60.7°	90.0°
C35	C34	N6	H51	13.2°	90.0°
C34	C35	H52	H53	120.0°	90.0°
C34	C35	H52	H54	120.0°	90.0°
C34	C35	H53	H54	120.0°	90.0°
C33	C30	C31	C29	178.4°	90.0°
C33	C30	C31	C32	96.7°	90.0°
C33	C30	C29	C28	0.1°	90.0°
C33	C30	C29	H42	179.9°	90.0°
C33	C30	C31	H43	23.9°	90.0°
C33	C30	C31	H44	142.7°	90.0°
C30	C33	H48	H49	120.0°	90.0°
C30	C33	H48	H50	120.0°	90.0°
C30	C33	H49	H50	120.0°	90.0°
C25	C26	C27	H37	120.1°	90.0°
C25	C26	C27	H38	120.2°	90.0°
C25	C26	C27	N5	44.6°	90.0°
C26	C25	C24	H34	88.3°	90.0°
C26	C25	H35	H36	119.2°	90.0°
C25	C26	H37	H38	119.7°	90.0°
C25	C26	C27	H39	74.8°	90.0°
C25	C26	C27	H40	164.1°	90.0°
O8	C17	N4	C11	154.2°	90.0°
O8	C17	N4	O7	23.9°	90.0°
C17	O8	FE	O11	63.6°	90.0°
C17	O8	FE	O3	134.4°	90.0°
C17	O8	FE	O7	9.9°	90.0°
C17	O8	FE	O12	130.2°	90.0°
C17	O8	FE	O2	67.2°	90.0°
O8	C17	C18	H28	161.8°	90.0°
N4	C17	O8	FE	21.9°	90.0°
C17	N4	C11	O7	177.9°	90.0°
C17	N4	C11	C10	100.1°	90.0°
C17	N4	O7	FE	16.8°	90.0°
C17	N4	C11	H15	19.9°	90.0°
C17	N4	C11	H16	139.7°	90.0°
N4	C17	C18	H28	22.9°	90.0°
O8	FE	O7	N4	3.4°	90.0°
O8	FE	O11	N5	142.2°	90.0°
O8	FE	O11	O3	28.5°	90.0°
O8	FE	O11	O7	82.0°	90.0°
O8	FE	O11	O12	119.0°	90.0°
O8	FE	O11	O2	135.8°	90.0°
O8	FE	O3	O7	65.0°	90.0°
O8	FE	O3	O12	110.5°	90.0°
O8	FE	O3	O2	138.0°	90.0°
O8	FE	O3	C6	154.2°	90.0°
O8	FE	O7	O12	112.7°	90.0°
O8	FE	O7	O2	141.0°	90.0°
O8	FE	O12	O2	166.5°	90.0°
O8	FE	O12	C28	72.1°	90.0°
O8	FE	O2	N1	78.9°	90.0°
O9	C32	C31	C30	30.2°	90.0°
O9	C32	C31	H45	120.2°	90.0°
O9	C32	C31	H46	120.2°	90.0°
O9	C32	C31	H43	90.4°	90.0°
O9	C32	C31	H44	150.9°	90.0°
O9	C32	H45	H46	119.5°	90.0°
C12	C13	C14	C16	178.6°	90.0°
C12	C13	C14	C15	48.2°	90.0°
C12	C13	C16	C6	2.3°	90.0°
C13	C12	H18	H19	120.0°	90.0°
C13	C12	H18	H20	120.0°	90.0°
C13	C12	H19	H20	120.0°	90.0°
C12	C13	C14	H21	71.6°	90.0°
C12	C13	C14	H22	168.0°	90.0°
C12	C13	C16	H26	177.7°	90.0°
C30	C31	C32	H43	120.6°	90.0°
C30	C31	C32	H44	120.6°	90.0°
C31	C30	C29	C28	178.5°	90.0°
C31	C30	C29	H42	1.5°	90.0°
C30	C31	H43	H44	118.1°	90.0°
C30	C31	C32	H45	89.9°	90.0°
C30	C31	C32	H46	150.4°	90.0°
C31	C30	C33	H48	180.0°	90.0°
C31	C30	C33	H49	60.0°	90.0°
C31	C30	C33	H50	60.0°	90.0°
C29	C30	C31	C32	84.8°	90.0°
C30	C29	C28	N5	79.5°	90.0°
C30	C29	C28	H42	180.0°	90.0°
C30	C29	C28	O12	99.5°	90.0°
C29	C30	C31	H43	154.5°	90.0°
C29	C30	C31	H44	35.8°	90.0°
C29	C30	C33	H48	1.6°	90.0°
C29	C30	C33	H49	118.5°	90.0°
C29	C30	C33	H50	121.6°	90.0°
C32	C31	H43	H44	118.1°	90.0°
C31	C32	H45	H46	119.5°	90.0°
C31	C32	O9	H47	180.0°	90.0°
N4	C11	C10	H15	120.1°	90.0°
N4	C11	C10	H16	120.1°	90.0°
N4	C11	C10	C9	141.4°	90.0°
C11	N4	O7	FE	161.4°	90.0°
N4	C11	C10	H13	21.4°	90.0°
N4	C11	C10	H14	98.6°	90.0°
N4	C11	H15	H16	119.7°	90.0°
C10	C11	N4	O7	77.8°	90.0°
C11	C10	C9	H13	120.0°	90.0°
C11	C10	C9	H14	120.0°	90.0°
C11	C10	C9	C8	158.5°	90.0°
C11	C10	C9	H11	81.0°	90.0°
C11	C10	C9	H12	38.0°	90.0°
C11	C10	H13	H14	120.0°	90.0°
C10	C11	H15	H16	119.7°	90.0°
N4	O7	FE	O11	83.3°	90.0°
N4	O7	FE	O3	57.0°	90.0°
N4	O7	FE	O12	116.1°	90.0°
N4	O7	FE	O2	137.6°	90.0°
O7	N4	C11	H15	162.2°	90.0°
O7	N4	C11	H16	42.4°	90.0°
C26	C27	N5	O11	100.6°	90.0°
C26	C27	N5	C28	85.1°	90.0°
C26	C27	N5	H39	119.5°	90.0°
C26	C27	N5	H40	119.5°	90.0°
C27	C26	C25	H35	106.8°	90.0°
C27	C26	C25	H36	12.7°	90.0°
C27	C26	H37	H38	119.6°	90.0°
C26	C27	H39	H40	121.5°	90.0°
C10	C9	C8	H11	120.5°	90.0°
C10	C9	C8	H12	120.5°	90.0°
C10	C9	C8	N3	18.8°	90.0°
C10	C9	C8	C7	107.7°	90.0°
C10	C9	C8	H10	136.2°	90.0°
C10	C9	H11	H12	118.4°	90.0°
C9	C10	H13	H14	120.0°	90.0°
C9	C10	C11	H15	98.5°	90.0°
C9	C10	C11	H16	21.3°	90.0°
N5	O11	FE	O3	113.7°	90.0°
O11	N5	C28	C27	174.9°	90.0°
O11	N5	C28	C29	149.8°	90.0°
N5	O11	FE	O7	135.8°	90.0°
N5	O11	FE	O12	23.2°	90.0°
N5	O11	FE	O2	82.1°	90.0°
O11	N5	C28	O12	29.2°	90.0°
O11	N5	C27	H39	18.9°	90.0°
O11	N5	C27	H40	139.9°	90.0°
O11	FE	O3	O7	94.6°	90.0°
O11	FE	O3	O12	80.9°	90.0°
O11	FE	O3	O2	167.7°	90.0°
O11	FE	O3	C6	176.1°	90.0°
FE	O11	N5	C28	37.1°	90.0°
FE	O11	N5	C27	138.1°	90.0°
O11	FE	O7	O12	32.8°	90.0°
O11	FE	O7	O2	139.1°	90.0°
O11	FE	O12	O2	125.4°	90.0°
O11	FE	O12	C28	4.0°	90.0°
O11	FE	O2	N1	170.7°	90.0°
O3	FE	O7	O12	173.1°	90.0°
O3	FE	O7	O2	80.6°	90.0°
O3	FE	O12	O2	93.1°	90.0°
O3	FE	O12	C28	145.5°	90.0°
FE	O3	C6	C16	166.5°	90.0°
FE	O3	C6	N1	13.0°	90.0°
O3	FE	O2	N1	18.8°	90.0°
C6	O3	FE	O7	89.2°	90.0°
C6	O3	FE	O12	95.3°	90.0°
C6	O3	FE	O2	16.2°	90.0°
O3	C6	C16	C13	3.3°	90.0°
O3	C6	C16	N1	179.6°	90.0°
O3	C6	N1	O2	0.8°	90.0°
O3	C6	N1	C5	179.5°	90.0°
O3	C6	C16	H26	176.8°	90.0°
N5	C28	C29	O12	178.9°	90.0°
N5	C28	O12	FE	12.9°	90.0°
C28	N5	C27	H39	155.4°	90.0°
C28	N5	C27	H40	34.4°	90.0°
N5	C28	C29	H42	100.6°	90.0°
C27	N5	C28	C29	35.3°	90.0°
C27	N5	C28	O12	145.6°	90.0°
N5	C27	C26	H37	164.8°	90.0°
N5	C27	C26	H38	75.5°	90.0°
N5	C27	H39	H40	121.5°	90.0°
C29	C28	O12	FE	166.2°	90.0°
O7	FE	O12	O2	93.2°	90.0°
O7	FE	O12	C28	28.2°	90.0°
O7	FE	O2	N1	137.2°	90.0°
O12	FE	O2	N1	84.0°	90.0°
O2	FE	O12	C28	121.4°	90.0°
FE	O2	N1	C6	15.0°	90.0°
FE	O2	N1	C5	165.2°	90.0°
O12	C28	C29	H42	80.5°	90.0°
C9	C8	N3	C7	123.3°	90.0°
C9	C8	N3	H10	116.9°	90.0°
C9	C8	N3	C1	134.1°	90.0°
C9	C8	C7	H10	115.9°	90.0°
C9	C8	C7	O4	65.0°	90.0°
C9	C8	C7	N2	115.0°	90.0°
C8	C9	H11	H12	118.4°	90.0°
C8	C9	C10	H13	38.6°	90.0°
C8	C9	C10	H14	81.4°	90.0°
C9	C8	N3	H17	45.9°	90.0°
C13	C14	C15	H21	119.8°	90.0°
C13	C14	C15	H22	119.8°	90.0°
C13	C14	C15	O5	98.7°	90.0°
C14	C13	C16	C6	179.1°	90.0°
C14	C13	C12	H18	180.0°	90.0°
C14	C13	C12	H19	60.0°	90.0°
C14	C13	C12	H20	60.0°	90.0°
C13	C14	H21	H22	120.6°	90.0°
C13	C14	C15	H23	21.1°	90.0°
C13	C14	C15	H24	141.6°	90.0°
C14	C13	C16	H26	0.9°	90.0°
C16	C13	C14	C15	130.4°	90.0°
C13	C16	C6	H26	180.0°	90.0°
C13	C16	C6	N1	177.2°	90.0°
C16	C13	C12	H18	1.4°	90.0°
C16	C13	C12	H19	121.4°	90.0°
C16	C13	C12	H20	118.6°	90.0°
C16	C13	C14	H21	109.8°	90.0°
C16	C13	C14	H22	10.7°	90.0°
C14	C15	O5	H23	119.8°	90.0°
C14	C15	O5	H24	119.8°	90.0°
C15	C14	H21	H22	120.5°	90.0°
C14	C15	H23	H24	120.7°	90.0°
C14	C15	O5	H25	180.0°	90.0°
O5	C15	C14	H21	141.5°	90.0°
O5	C15	C14	H22	21.1°	90.0°
O5	C15	H23	H24	120.7°	90.0°
C8	N3	C1	H17	180.0°	90.0°
C8	N3	C1	O1	159.0°	90.0°
N3	C8	C7	H10	120.1°	90.0°
C8	N3	C1	C2	21.9°	90.0°
N3	C8	C7	O4	171.1°	90.0°
N3	C8	C7	N2	9.0°	90.0°
N3	C8	C9	H11	101.8°	90.0°
N3	C8	C9	H12	139.3°	90.0°
N3	C1	O1	C2	179.1°	90.0°
C1	N3	C8	C7	10.8°	90.0°
N3	C1	C2	C3	112.5°	90.0°
N3	C1	C2	N2	13.3°	90.0°
N3	C1	C2	H1	132.6°	90.0°
C1	N3	C8	H10	109.0°	90.0°
O1	C1	C2	C3	66.6°	90.0°
O1	C1	C2	N2	167.5°	90.0°
O1	C1	C2	H1	48.2°	90.0°
O1	C1	N3	H17	21.0°	90.0°
C16	C6	N1	O2	179.6°	90.0°
C16	C6	N1	C5	0.1°	90.0°
C6	N1	O2	C5	179.8°	90.0°
C6	N1	C5	C4	119.3°	90.0°
C6	N1	C5	H6	121.5°	90.0°
C6	N1	C5	H7	0.0°	90.0°
N1	C6	C16	H26	2.8°	90.0°
C8	C7	O4	N2	180.0°	90.0°
C8	C7	N2	C2	17.0°	90.0°
C8	C7	N2	H9	162.9°	90.0°
C7	C8	C9	H11	131.8°	90.0°
C7	C8	C9	H12	12.9°	90.0°
C7	C8	N3	H17	169.2°	90.0°
C1	C2	N2	C7	6.2°	90.0°
C1	C2	C3	N2	127.0°	90.0°
C1	C2	C3	H1	115.2°	90.0°
C1	C2	C3	C4	145.4°	90.0°
C1	C2	N2	H1	118.9°	90.0°
C1	C2	C3	H2	24.4°	90.0°
C1	C2	C3	H3	93.5°	90.0°
C1	C2	N2	H9	173.8°	90.0°
C2	C1	N3	H17	158.1°	90.0°
O2	N1	C5	C4	60.5°	90.0°
O2	N1	C5	H6	58.8°	90.0°
O2	N1	C5	H7	179.8°	90.0°
N1	C5	C4	C3	73.6°	90.0°
N1	C5	C4	H6	119.3°	90.0°
N1	C5	C4	H7	119.3°	90.0°
N1	C5	C4	H4	166.3°	90.0°
N1	C5	C4	H5	46.5°	90.0°
N1	C5	H6	H7	122.1°	90.0°
O4	C7	N2	C2	163.0°	90.0°
O4	C7	N2	H9	17.0°	90.0°
O4	C7	C8	H10	50.9°	90.0°
C7	N2	C2	C3	130.0°	90.0°
C7	N2	C2	H9	180.0°	90.0°
C7	N2	C2	H1	112.7°	90.0°
N2	C7	C8	H10	129.1°	90.0°
C2	C3	C4	H2	121.0°	90.0°
C2	C3	C4	H3	121.1°	90.0°
C3	C2	N2	H1	117.2°	90.0°
C2	C3	C4	C5	176.0°	90.0°
C2	C3	H2	H3	116.7°	90.0°
C2	C3	C4	H4	63.9°	90.0°
C2	C3	C4	H5	56.0°	90.0°
C3	C2	N2	H9	50.0°	90.0°
C4	C3	C2	N2	18.4°	90.0°
C3	C4	C5	H4	120.1°	90.0°
C3	C4	C5	H5	120.1°	90.0°
C4	C3	C2	H1	99.4°	90.0°
C4	C3	H2	H3	116.7°	90.0°
C3	C4	H4	H5	119.7°	90.0°
C3	C4	C5	H6	167.2°	90.0°
C3	C4	C5	H7	45.7°	90.0°
N2	C2	C3	H2	102.6°	90.0°
N2	C2	C3	H3	139.5°	90.0°
C5	C4	C3	H2	55.0°	90.0°
C5	C4	C3	H3	62.9°	90.0°
C5	C4	H4	H5	119.8°	90.0°
C4	C5	H6	H7	122.1°	90.0°
H1	C2	C3	H2	139.5°	90.0°
H1	C2	C3	H3	21.6°	90.0°
H1	C2	N2	H9	67.3°	90.0°
H2	C3	C4	H4	175.1°	90.0°
H2	C3	C4	H5	65.1°	90.0°
H3	C3	C4	H4	57.2°	90.0°
H3	C3	C4	H5	177.0°	90.0°
H4	C4	C5	H6	47.1°	90.0°
H4	C4	C5	H7	74.4°	90.0°
H5	C4	C5	H6	72.8°	90.0°
H5	C4	C5	H7	165.8°	90.0°
H10	C8	C9	H11	15.7°	90.0°
H10	C8	C9	H12	103.3°	90.0°
H10	C8	N3	H17	71.0°	90.0°
H11	C9	C10	H13	159.1°	90.0°
H11	C9	C10	H14	39.1°	90.0°
H12	C9	C10	H13	81.9°	90.0°
H12	C9	C10	H14	158.1°	90.0°
H13	C10	C11	H15	141.5°	90.0°
H13	C10	C11	H16	98.7°	90.0°
H14	C10	C11	H15	21.5°	90.0°
H14	C10	C11	H16	141.3°	90.0°
H18	C12	H19	H20	120.0°	90.0°
H21	C14	C15	H23	98.8°	90.0°
H21	C14	C15	H24	21.8°	90.0°
H22	C14	C15	H23	140.9°	90.0°
H22	C14	C15	H24	98.6°	90.0°
H23	C15	O5	H25	60.2°	90.0°
H24	C15	O5	H25	60.3°	90.0°
H28	C18	C19	C22	122.5°	90.0°
H30	C20	C21	H32	39.5°	90.0°
H30	C20	C21	H33	79.3°	90.0°
H30	C20	C19	C22	44.5°	90.0°
H31	C20	C21	H32	80.5°	90.0°
H31	C20	C21	H33	160.8°	90.0°
H31	C20	C19	C22	164.5°	90.0°
H34	C24	C25	H35	151.4°	90.0°
H34	C24	C25	H36	32.0°	90.0°
H34	C24	N6	H51	147.4°	90.0°
H35	C25	C26	H37	133.1°	90.0°
H35	C25	C26	H38	13.4°	90.0°
H36	C25	C26	H37	107.4°	90.0°
H36	C25	C26	H38	132.8°	90.0°
H37	C26	C27	H39	45.3°	90.0°
H37	C26	C27	H40	75.7°	90.0°
H38	C26	C27	H39	165.0°	90.0°
H38	C26	C27	H40	44.0°	90.0°
H43	C31	C32	H45	149.5°	90.0°
H43	C31	C32	H46	29.8°	90.0°
H44	C31	C32	H45	30.7°	90.0°
H44	C31	C32	H46	89.0°	90.0°
H45	C32	O9	H47	59.9°	90.0°
H46	C32	O9	H47	59.8°	90.0°
H48	C33	H49	H50	120.0°	90.0°
H52	C35	H53	H54	120.0°	90.0°
C19	C22	H8	H27	90.0°	90.0°
C19	C22	H8	H29	90.0°	90.0°
C19	C22	H27	H29	90.0°	90.0°
H8	C22	H27	H29	90.0°	90.0°

Release date:	2019-04-10
Definition date:	2018-07-27
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	6E4V