SI0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	C25	doub	0.00Å	1.42Å	Aromatic
C24	C23	sing	0.00Å	1.40Å	Aromatic
C25	C26	sing	0.00Å	1.41Å	Aromatic
C23	N6	doub	0.00Å	1.44Å	Aromatic
C26	C22	doub	0.00Å	1.42Å	Aromatic
N6	C22	sing	0.00Å	1.42Å	Aromatic
N6	CU1	sing	0.00Å	1.96Å
O4	O3	sing	0.00Å	1.52Å
O3	CU1	sing	0.00Å	1.94Å
C22	C21	sing	0.00Å	1.52Å
CU1	N5	sing	0.00Å	2.05Å
CU1	N4	sing	0.00Å	2.05Å
C16	C17	doub	0.00Å	1.43Å	Aromatic
C16	N5	sing	0.00Å	1.44Å	Aromatic
C17	C18	sing	0.00Å	1.40Å	Aromatic
N5	C15	doub	0.00Å	1.44Å	Aromatic
C21	C20	sing	0.00Å	1.53Å
C18	C19	doub	0.00Å	1.40Å	Aromatic
N4	C20	sing	0.00Å	1.46Å
N4	C12	sing	0.00Å	1.49Å
N4	C13	sing	0.00Å	1.46Å
C15	C19	sing	0.00Å	1.43Å	Aromatic
C15	C14	sing	0.00Å	1.48Å
C12	C11	sing	0.00Å	1.51Å
O2	C10	doub	0.00Å	1.36Å
C14	C13	sing	0.00Å	1.55Å
C10	N3	sing	0.00Å	1.31Å
C10	C9	sing	0.00Å	1.49Å
C11	N3	sing	0.00Å	1.48Å
C9	C8	sing	0.00Å	1.55Å
C8	C7	sing	0.00Å	1.52Å
C7	C6	sing	0.00Å	1.53Å
C6	C5	sing	0.00Å	1.54Å
C5	C4	sing	0.00Å	1.51Å
C5	S1	sing	0.00Å	1.82Å
N2	C4	sing	0.00Å	1.46Å
N2	C1	sing	0.00Å	1.39Å
C4	C2	sing	0.00Å	1.57Å
S1	C3	sing	0.00Å	1.78Å
C1	O1	doub	0.00Å	1.31Å
C1	N1	sing	0.00Å	1.34Å
C2	C3	sing	0.00Å	1.54Å
C2	N1	sing	0.00Å	1.44Å
CU1	O5	sing	0.00Å	2.60Å
C23	H1	sing	0.00Å	1.08Å
C24	H2	sing	0.00Å	1.08Å
C25	H3	sing	0.00Å	1.08Å
C26	H4	sing	0.00Å	1.08Å
C21	H5	sing	0.00Å	1.10Å
C21	H6	sing	0.00Å	1.10Å
C20	H7	sing	0.00Å	1.10Å
C20	H8	sing	0.00Å	1.10Å
C16	H9	sing	0.00Å	1.08Å
C17	H10	sing	0.00Å	1.08Å
C18	H11	sing	0.00Å	1.08Å
C19	H12	sing	0.00Å	1.08Å
C14	H13	sing	0.00Å	1.10Å
C14	H14	sing	0.00Å	1.10Å
C13	H15	sing	0.00Å	1.10Å
C13	H16	sing	0.00Å	1.10Å
C12	H17	sing	0.00Å	1.10Å
C12	H18	sing	0.00Å	1.10Å
C11	H19	sing	0.00Å	1.10Å
C11	H20	sing	0.00Å	1.10Å
N3	H21	sing	0.00Å	1.00Å
C9	H22	sing	0.00Å	1.10Å
C9	H23	sing	0.00Å	1.10Å
C8	H24	sing	0.00Å	1.10Å
C8	H25	sing	0.00Å	1.10Å
C7	H26	sing	0.00Å	1.10Å
C7	H27	sing	0.00Å	1.10Å
C6	H28	sing	0.00Å	1.10Å
C6	H29	sing	0.00Å	1.10Å
C5	H30	sing	0.00Å	1.10Å
C4	H31	sing	0.00Å	1.10Å
N2	H32	sing	0.00Å	1.00Å
C3	H33	sing	0.00Å	1.10Å
C3	H34	sing	0.00Å	1.10Å
C2	H35	sing	0.00Å	1.10Å
N1	H36	sing	0.00Å	1.00Å
O4	H37	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	C24	C23	120.7°	90.0°
C24	C25	C26	120.2°	90.0°
C25	C24	H2	119.7°	90.0°
C24	C25	H3	119.9°	90.0°
C24	C23	N6	120.0°	90.0°
C24	C23	H1	120.0°	90.0°
C23	C24	H2	119.7°	90.0°
C25	C26	C22	120.0°	90.0°
C26	C25	H3	119.9°	90.0°
C25	C26	H4	120.0°	90.0°
C23	N6	C22	118.7°	90.0°
C23	N6	CU1	118.8°	90.0°
N6	C23	H1	120.0°	90.0°
C26	C22	N6	120.4°	90.0°
C26	C22	C21	116.5°	90.0°
C22	C26	H4	120.0°	90.0°
C22	N6	CU1	122.4°	90.0°
N6	C22	C21	122.9°	90.0°
N6	CU1	O3	91.0°	90.0°
N6	CU1	N5	172.9°	90.0°
N6	CU1	N4	96.7°	90.0°
N6	CU1	O5	83.3°	90.0°
O4	O3	CU1	137.6°	90.0°
O3	O4	H37	109.5°	90.0°
O3	CU1	N5	94.0°	90.0°
O3	CU1	N4	108.9°	90.0°
O3	CU1	O5	121.8°	90.0°
C22	C21	C20	119.9°	90.0°
C22	C21	H5	106.8°	90.0°
C22	C21	H6	106.8°	90.0°
N5	CU1	N4	86.5°	90.0°
CU1	N5	C16	117.3°	90.0°
CU1	N5	C15	129.8°	90.0°
N5	CU1	O5	89.7°	90.0°
CU1	N4	C20	104.9°	90.0°
CU1	N4	C12	103.2°	90.0°
CU1	N4	C13	117.3°	90.0°
N4	CU1	O5	129.2°	90.0°
C17	C16	N5	123.4°	90.0°
C16	C17	C18	121.8°	90.0°
C17	C16	H9	118.3°	90.0°
C16	C17	H10	119.1°	90.0°
C16	N5	C15	112.9°	90.0°
N5	C16	H9	118.3°	90.0°
C17	C18	C19	117.1°	90.0°
C18	C17	H10	119.1°	90.0°
C17	C18	H11	121.5°	90.0°
N5	C15	C19	123.4°	90.0°
N5	C15	C14	114.7°	90.0°
C21	C20	N4	116.4°	90.0°
C20	C21	H5	106.8°	90.0°
C20	C21	H6	106.8°	90.0°
C21	C20	H7	107.7°	90.0°
C21	C20	H8	107.7°	90.0°
C18	C19	C15	121.4°	90.0°
C19	C18	H11	121.4°	90.0°
C18	C19	H12	119.3°	90.0°
C20	N4	C12	127.5°	90.0°
C20	N4	C13	106.1°	90.0°
N4	C20	H7	107.7°	90.0°
N4	C20	H8	107.7°	90.0°
C12	N4	C13	98.8°	90.0°
N4	C12	C11	113.0°	90.0°
N4	C12	H17	108.6°	90.0°
N4	C12	H18	108.6°	90.0°
N4	C13	C14	115.1°	90.0°
N4	C13	H15	108.1°	90.0°
N4	C13	H16	108.1°	90.0°
C19	C15	C14	121.8°	90.0°
C15	C19	H12	119.3°	90.0°
C15	C14	C13	100.5°	90.0°
C15	C14	H13	111.6°	90.0°
C15	C14	H14	111.7°	90.0°
C12	C11	N3	117.7°	90.0°
C11	C12	H17	108.6°	90.0°
C11	C12	H18	108.6°	90.0°
C12	C11	H19	107.3°	90.0°
C12	C11	H20	107.4°	90.0°
O2	C10	N3	117.5°	90.0°
O2	C10	C9	117.8°	90.0°
C13	C14	H13	111.7°	90.0°
C13	C14	H14	111.6°	90.0°
C14	C13	H15	108.1°	90.0°
C14	C13	H16	108.0°	90.0°
N3	C10	C9	124.5°	90.0°
C10	N3	C11	120.0°	90.0°
C10	N3	H21	120.0°	90.0°
C10	C9	C8	108.8°	90.0°
C10	C9	H22	109.6°	90.0°
C10	C9	H23	109.6°	90.0°
N3	C11	H19	107.4°	90.0°
N3	C11	H20	107.4°	90.0°
C11	N3	H21	120.0°	90.0°
C9	C8	C7	114.2°	90.0°
C8	C9	H22	109.6°	90.0°
C8	C9	H23	109.6°	90.0°
C9	C8	H24	108.3°	90.0°
C9	C8	H25	108.3°	90.0°
C8	C7	C6	110.7°	90.0°
C7	C8	H24	108.3°	90.0°
C7	C8	H25	108.3°	90.0°
C8	C7	H26	109.2°	90.0°
C8	C7	H27	109.1°	90.0°
C7	C6	C5	113.6°	90.0°
C6	C7	H26	109.2°	90.0°
C6	C7	H27	109.2°	90.0°
C7	C6	H28	108.4°	90.0°
C7	C6	H29	108.4°	90.0°
C6	C5	C4	114.7°	90.0°
C6	C5	S1	115.1°	90.0°
C5	C6	H28	108.4°	90.0°
C5	C6	H29	108.4°	90.0°
C6	C5	H30	108.6°	90.0°
C4	C5	S1	103.4°	90.0°
C5	C4	N2	115.4°	90.0°
C5	C4	C2	110.5°	90.0°
C4	C5	H30	108.9°	90.0°
C5	C4	H31	109.3°	90.0°
C5	S1	C3	88.1°	90.0°
S1	C5	H30	105.6°	90.0°
C4	N2	C1	110.6°	90.0°
N2	C4	C2	102.7°	90.0°
N2	C4	H31	110.0°	90.0°
C4	N2	H32	124.7°	90.0°
N2	C1	O1	120.4°	90.0°
N2	C1	N1	110.3°	90.0°
C1	N2	H32	124.7°	90.0°
C4	C2	C3	105.0°	90.0°
C4	C2	N1	104.2°	90.0°
C2	C4	H31	108.6°	90.0°
C4	C2	H35	111.2°	90.0°
S1	C3	C2	107.2°	90.0°
S1	C3	H33	110.0°	90.0°
S1	C3	H34	110.0°	90.0°
O1	C1	N1	129.3°	90.0°
C1	N1	C2	112.0°	90.0°
C1	N1	H36	124.0°	90.0°
C3	C2	N1	111.2°	90.0°
C2	C3	H33	110.0°	90.0°
C2	C3	H34	110.0°	90.0°
C3	C2	H35	111.5°	90.0°
N1	C2	H35	113.1°	90.0°
C2	N1	H36	124.0°	90.0°
H5	C21	H6	109.5°	90.0°
H7	C20	H8	109.4°	90.0°
H13	C14	H14	109.5°	90.0°
H15	C13	H16	109.5°	90.0°
H17	C12	H18	109.5°	90.0°
H19	C11	H20	109.5°	90.0°
H22	C9	H23	109.5°	90.0°
H24	C8	H25	109.5°	90.0°
H26	C7	H27	109.4°	90.0°
H28	C6	H29	109.5°	90.0°
H33	C3	H34	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	C24	C23	H2	180.0°	90.0°
C24	C25	C26	H3	180.0°	90.0°
C25	C24	C23	N6	0.5°	90.0°
C24	C25	C26	C22	0.7°	90.0°
C25	C24	C23	H1	179.5°	90.0°
C24	C25	C26	H4	179.2°	90.0°
C23	C24	C25	C26	0.6°	90.0°
C24	C23	N6	H1	180.0°	90.0°
C24	C23	N6	C22	1.4°	90.0°
C24	C23	N6	CU1	177.6°	90.0°
C23	C24	C25	H3	179.3°	90.0°
C25	C26	C22	H4	180.0°	90.0°
C25	C26	C22	N6	0.3°	90.0°
C25	C26	C22	C21	176.3°	90.0°
C26	C25	C24	H2	179.3°	90.0°
C23	N6	C22	C26	1.3°	90.0°
C23	N6	C22	CU1	176.1°	90.0°
C23	N6	CU1	O3	50.6°	90.0°
C23	N6	C22	C21	177.1°	90.0°
C23	N6	CU1	N5	84.0°	90.0°
C23	N6	CU1	N4	159.8°	90.0°
C23	N6	CU1	O5	71.3°	90.0°
N6	C23	C24	H2	179.6°	90.0°
C26	C22	N6	C21	175.8°	90.0°
C26	C22	N6	CU1	177.4°	90.0°
C26	C22	C21	C20	171.2°	90.0°
C22	C26	C25	H3	179.2°	90.0°
C26	C22	C21	H5	49.8°	90.0°
C26	C22	C21	H6	67.3°	90.0°
C22	N6	CU1	O3	133.3°	90.0°
C22	N6	CU1	N5	92.1°	90.0°
C22	N6	CU1	N4	24.1°	90.0°
N6	C22	C21	C20	12.8°	90.0°
C22	N6	CU1	O5	104.8°	90.0°
C22	N6	C23	H1	178.5°	90.0°
N6	C22	C26	H4	179.8°	90.0°
N6	C22	C21	H5	134.3°	90.0°
N6	C22	C21	H6	108.7°	90.0°
N6	CU1	O3	O4	38.7°	90.0°
N6	CU1	O3	N5	174.9°	90.0°
N6	CU1	O3	N4	97.5°	90.0°
N6	CU1	O3	O5	82.7°	90.0°
CU1	N6	C22	C21	6.8°	90.0°
N6	CU1	N5	N4	116.8°	90.0°
N6	CU1	N5	O5	12.6°	90.0°
N6	CU1	N4	O5	86.8°	90.0°
N6	CU1	N5	C16	96.1°	90.0°
N6	CU1	N5	C15	84.0°	90.0°
N6	CU1	N4	C20	51.7°	90.0°
N6	CU1	N4	C12	83.5°	90.0°
N6	CU1	N4	C13	169.2°	90.0°
CU1	N6	C23	H1	2.3°	90.0°
O4	O3	CU1	N5	146.4°	90.0°
O4	O3	CU1	N4	58.8°	90.0°
O4	O3	CU1	O5	121.4°	90.0°
O3	CU1	N5	N4	108.8°	90.0°
O3	CU1	N5	O5	121.9°	90.0°
O3	CU1	N4	O5	179.8°	90.0°
O3	CU1	N5	C16	38.4°	90.0°
O3	CU1	N5	C15	141.5°	90.0°
O3	CU1	N4	C20	145.2°	90.0°
O3	CU1	N4	C12	9.9°	90.0°
O3	CU1	N4	C13	97.4°	90.0°
CU1	O3	O4	H37	180.0°	90.0°
C22	C21	C20	H5	121.5°	90.0°
C22	C21	C20	H6	121.5°	90.0°
C22	C21	C20	N4	51.6°	90.0°
C21	C22	C26	H4	3.7°	90.0°
C22	C21	H5	H6	115.3°	90.0°
C22	C21	C20	H7	69.5°	90.0°
C22	C21	C20	H8	172.6°	90.0°
N5	CU1	N4	O5	86.8°	90.0°
CU1	N5	C16	C17	178.9°	90.0°
CU1	N5	C16	C15	179.9°	90.0°
N5	CU1	N4	C20	121.9°	90.0°
N5	CU1	N4	C12	102.9°	90.0°
N5	CU1	N4	C13	4.4°	90.0°
CU1	N5	C15	C19	179.7°	90.0°
CU1	N5	C15	C14	3.2°	90.0°
CU1	N5	C16	H9	1.1°	90.0°
N4	CU1	N5	C16	147.2°	90.0°
N4	CU1	N5	C15	32.8°	90.0°
CU1	N4	C20	C21	70.2°	90.0°
CU1	N4	C20	C12	120.2°	90.0°
CU1	N4	C20	C13	124.9°	90.0°
CU1	N4	C12	C13	120.9°	90.0°
CU1	N4	C12	C11	176.2°	90.0°
CU1	N4	C13	C14	50.8°	90.0°
CU1	N4	C20	H7	50.9°	90.0°
CU1	N4	C20	H8	168.8°	90.0°
CU1	N4	C13	H15	171.6°	90.0°
CU1	N4	C13	H16	70.0°	90.0°
CU1	N4	C12	H17	55.7°	90.0°
CU1	N4	C12	H18	63.3°	90.0°
C17	C16	N5	H9	180.0°	90.0°
C16	C17	C18	H10	180.0°	90.0°
C17	C16	N5	C15	1.2°	90.0°
C16	C17	C18	C19	0.0°	90.0°
C16	C17	C18	H11	180.0°	90.0°
N5	C16	C17	C18	1.0°	90.0°
C16	N5	C15	C19	0.4°	90.0°
C16	N5	C15	C14	176.7°	90.0°
C16	N5	CU1	O5	83.5°	90.0°
N5	C16	C17	H10	179.0°	90.0°
C17	C18	C19	H11	180.0°	90.0°
C17	C18	C19	C15	0.7°	90.0°
C18	C17	C16	H9	179.0°	90.0°
C17	C18	C19	H12	179.3°	90.0°
N5	C15	C19	C18	0.6°	90.0°
N5	C15	C19	C14	176.9°	90.0°
N5	C15	C14	C13	54.2°	90.0°
C15	N5	CU1	O5	96.6°	90.0°
C15	N5	C16	H9	178.8°	90.0°
N5	C15	C19	H12	179.5°	90.0°
N5	C15	C14	H13	172.8°	90.0°
N5	C15	C14	H14	64.3°	90.0°
C21	C20	N4	H7	121.0°	90.0°
C21	C20	N4	H8	121.0°	90.0°
C21	C20	N4	C12	50.0°	90.0°
C21	C20	N4	C13	165.0°	90.0°
C20	C21	H5	H6	115.3°	90.0°
C21	C20	H7	H8	116.9°	90.0°
C18	C19	C15	H12	180.0°	90.0°
C18	C19	C15	C14	177.5°	90.0°
C19	C18	C17	H10	180.0°	90.0°
C20	N4	C12	C13	118.2°	90.0°
C20	N4	C12	C11	55.3°	90.0°
C20	N4	C13	C14	66.0°	90.0°
C20	N4	CU1	O5	35.1°	90.0°
N4	C20	C21	H5	173.0°	90.0°
N4	C20	C21	H6	69.9°	90.0°
N4	C20	H7	H8	116.8°	90.0°
C20	N4	C13	H15	54.8°	90.0°
C20	N4	C13	H16	173.2°	90.0°
C20	N4	C12	H17	65.2°	90.0°
C20	N4	C12	H18	175.8°	90.0°
N4	C12	C11	H17	120.5°	90.0°
N4	C12	C11	H18	120.5°	90.0°
C12	N4	C13	C14	160.7°	90.0°
N4	C12	C11	N3	158.6°	90.0°
C12	N4	CU1	O5	170.3°	90.0°
C12	N4	C20	H7	171.0°	90.0°
C12	N4	C20	H8	71.0°	90.0°
C12	N4	C13	H15	78.5°	90.0°
C12	N4	C13	H16	39.9°	90.0°
N4	C12	H17	H18	118.4°	90.0°
N4	C12	C11	H19	80.3°	90.0°
N4	C12	C11	H20	37.4°	90.0°
N4	C13	C14	C15	87.8°	90.0°
C13	N4	C12	C11	62.9°	90.0°
N4	C13	C14	H15	120.8°	90.0°
N4	C13	C14	H16	120.8°	90.0°
C13	N4	CU1	O5	82.3°	90.0°
C13	N4	C20	H7	74.0°	90.0°
C13	N4	C20	H8	44.0°	90.0°
N4	C13	C14	H13	153.7°	90.0°
N4	C13	C14	H14	30.8°	90.0°
N4	C13	H15	H16	117.5°	90.0°
C13	N4	C12	H17	176.6°	90.0°
C13	N4	C12	H18	57.6°	90.0°
C19	C15	C14	C13	122.9°	90.0°
C15	C19	C18	H11	179.3°	90.0°
C19	C15	C14	H13	4.4°	90.0°
C19	C15	C14	H14	118.5°	90.0°
C15	C14	C13	H13	118.5°	90.0°
C15	C14	C13	H14	118.6°	90.0°
C14	C15	C19	H12	2.6°	90.0°
C15	C14	H13	H14	124.2°	90.0°
C15	C14	C13	H15	151.4°	90.0°
C15	C14	C13	H16	33.0°	90.0°
C12	C11	N3	C10	92.0°	90.0°
C12	C11	N3	H19	121.2°	90.0°
C12	C11	N3	H20	121.2°	90.0°
C11	C12	H17	H18	118.4°	90.0°
C12	C11	H19	H20	116.2°	90.0°
C12	C11	N3	H21	88.0°	90.0°
O2	C10	N3	C9	174.9°	90.0°
O2	C10	N3	C11	16.0°	90.0°
O2	C10	C9	C8	51.3°	90.0°
O2	C10	N3	H21	164.0°	90.0°
O2	C10	C9	H22	68.7°	90.0°
O2	C10	C9	H23	171.1°	90.0°
C13	C14	H13	H14	124.1°	90.0°
C14	C13	H15	H16	117.4°	90.0°
C10	N3	C11	H21	180.0°	90.0°
N3	C10	C9	C8	133.9°	90.0°
C10	N3	C11	H19	146.9°	90.0°
C10	N3	C11	H20	29.2°	90.0°
N3	C10	C9	H22	106.2°	90.0°
N3	C10	C9	H23	14.0°	90.0°
C9	C10	N3	C11	169.2°	90.0°
C10	C9	C8	H22	119.9°	90.0°
C10	C9	C8	H23	119.9°	90.0°
C10	C9	C8	C7	53.1°	90.0°
C9	C10	N3	H21	10.8°	90.0°
C10	C9	H22	H23	120.3°	90.0°
C10	C9	C8	H24	67.7°	90.0°
C10	C9	C8	H25	173.8°	90.0°
N3	C11	C12	H17	38.0°	90.0°
N3	C11	C12	H18	80.9°	90.0°
N3	C11	H19	H20	116.3°	90.0°
C9	C8	C7	H24	120.7°	90.0°
C9	C8	C7	H25	120.7°	90.0°
C9	C8	C7	C6	178.7°	90.0°
C8	C9	H22	H23	120.3°	90.0°
C9	C8	H24	H25	117.8°	90.0°
C9	C8	C7	H26	58.5°	90.0°
C9	C8	C7	H27	61.1°	90.0°
C8	C7	C6	H26	120.2°	90.0°
C8	C7	C6	H27	120.2°	90.0°
C8	C7	C6	C5	174.8°	90.0°
C7	C8	C9	H22	173.0°	90.0°
C7	C8	C9	H23	66.8°	90.0°
C7	C8	H24	H25	117.9°	90.0°
C8	C7	H26	H27	119.4°	90.0°
C8	C7	C6	H28	64.6°	90.0°
C8	C7	C6	H29	54.2°	90.0°
C7	C6	C5	H28	120.6°	90.0°
C7	C6	C5	H29	120.6°	90.0°
C7	C6	C5	C4	163.3°	90.0°
C7	C6	C5	S1	76.8°	90.0°
C6	C7	C8	H24	60.6°	90.0°
C6	C7	C8	H25	58.0°	90.0°
C6	C7	H26	H27	119.4°	90.0°
C7	C6	H28	H29	118.1°	90.0°
C7	C6	C5	H30	41.3°	90.0°
C6	C5	C4	S1	126.1°	90.0°
C6	C5	C4	H30	121.9°	90.0°
C6	C5	S1	H30	119.7°	90.0°
C6	C5	C4	N2	45.2°	90.0°
C6	C5	C4	C2	161.1°	90.0°
C6	C5	S1	C3	171.3°	90.0°
C5	C6	C7	H26	54.5°	90.0°
C5	C6	C7	H27	65.1°	90.0°
C5	C6	H28	H29	118.1°	90.0°
C6	C5	C4	H31	79.4°	90.0°
C4	C5	S1	H30	114.4°	90.0°
C5	C4	N2	C2	120.3°	90.0°
C5	C4	N2	H31	124.3°	90.0°
C5	C4	N2	C1	115.8°	90.0°
C5	C4	C2	H31	119.9°	90.0°
C4	C5	S1	C3	45.4°	90.0°
C5	C4	C2	C3	4.2°	90.0°
C5	C4	C2	N1	121.2°	90.0°
C4	C5	C6	H28	42.7°	90.0°
C4	C5	C6	H29	76.1°	90.0°
C5	C4	N2	H32	64.2°	90.0°
C5	C4	C2	H35	116.6°	90.0°
S1	C5	C4	N2	80.9°	90.0°
S1	C5	C4	C2	35.0°	90.0°
C5	S1	C3	C2	44.6°	90.0°
S1	C5	C6	H28	162.6°	90.0°
S1	C5	C6	H29	43.8°	90.0°
S1	C5	C4	H31	154.5°	90.0°
C5	S1	C3	H33	164.2°	90.0°
C5	S1	C3	H34	75.1°	90.0°
C4	N2	C1	H32	180.0°	90.0°
N2	C4	C2	H31	116.4°	90.0°
C4	N2	C1	O1	177.3°	90.0°
C4	N2	C1	N1	5.1°	90.0°
N2	C4	C2	C3	119.5°	90.0°
N2	C4	C2	N1	2.5°	90.0°
N2	C4	C5	H30	167.1°	90.0°
N2	C4	C2	H35	119.7°	90.0°
C1	N2	C4	C2	4.5°	90.0°
N2	C1	O1	N1	177.1°	90.0°
N2	C1	N1	C2	3.3°	90.0°
C1	N2	C4	H31	119.9°	90.0°
N2	C1	N1	H36	176.7°	90.0°
C4	C2	C3	S1	29.7°	90.0°
C4	C2	N1	C1	0.4°	90.0°
C4	C2	C3	N1	112.1°	90.0°
C4	C2	C3	H35	120.5°	90.0°
C4	C2	N1	H35	120.9°	90.0°
C2	C4	C5	H30	77.0°	90.0°
C2	C4	N2	H32	175.5°	90.0°
C4	C2	C3	H33	149.4°	90.0°
C4	C2	C3	H34	89.9°	90.0°
C4	C2	N1	H36	179.6°	90.0°
S1	C3	C2	H33	119.7°	90.0°
S1	C3	C2	H34	119.6°	90.0°
S1	C3	C2	N1	82.4°	90.0°
C3	S1	C5	H30	69.0°	90.0°
S1	C3	H33	H34	121.0°	90.0°
S1	C3	C2	H35	150.3°	90.0°
O1	C1	N1	C2	179.3°	90.0°
O1	C1	N2	H32	2.6°	90.0°
O1	C1	N1	H36	0.7°	90.0°
C1	N1	C2	C3	112.3°	90.0°
C1	N1	C2	H36	180.0°	90.0°
N1	C1	N2	H32	175.0°	90.0°
C1	N1	C2	H35	121.3°	90.0°
C3	C2	N1	H35	126.5°	90.0°
C3	C2	C4	H31	124.1°	90.0°
C2	C3	H33	H34	121.0°	90.0°
C3	C2	N1	H36	67.8°	90.0°
N1	C2	C4	H31	118.9°	90.0°
N1	C2	C3	H33	37.3°	90.0°
N1	C2	C3	H34	158.0°	90.0°
H1	C23	C24	H2	0.5°	90.0°
H2	C24	C25	H3	0.7°	90.0°
H3	C25	C26	H4	0.8°	90.0°
H5	C21	C20	H7	52.0°	90.0°
H5	C21	C20	H8	65.9°	90.0°
H6	C21	C20	H7	169.1°	90.0°
H6	C21	C20	H8	51.1°	90.0°
H9	C16	C17	H10	1.0°	90.0°
H10	C17	C18	H11	0.0°	90.0°
H11	C18	C19	H12	0.7°	90.0°
H13	C14	C13	H15	32.8°	90.0°
H13	C14	C13	H16	85.5°	90.0°
H14	C14	C13	H15	90.1°	90.0°
H14	C14	C13	H16	151.6°	90.0°
H17	C12	C11	H19	159.2°	90.0°
H17	C12	C11	H20	83.1°	90.0°
H18	C12	C11	H19	40.3°	90.0°
H18	C12	C11	H20	157.9°	90.0°
H19	C11	N3	H21	33.1°	90.0°
H20	C11	N3	H21	150.8°	90.0°
H22	C9	C8	H24	52.2°	90.0°
H22	C9	C8	H25	66.3°	90.0°
H23	C9	C8	H24	172.5°	90.0°
H23	C9	C8	H25	53.9°	90.0°
H24	C8	C7	H26	179.2°	90.0°
H24	C8	C7	H27	59.6°	90.0°
H25	C8	C7	H26	62.2°	90.0°
H25	C8	C7	H27	178.2°	90.0°
H26	C7	C6	H28	175.2°	90.0°
H26	C7	C6	H29	66.1°	90.0°
H27	C7	C6	H28	55.6°	90.0°
H27	C7	C6	H29	174.3°	90.0°
H28	C6	C5	H30	79.3°	90.0°
H29	C6	C5	H30	161.9°	90.0°
H30	C5	C4	H31	42.5°	90.0°
H31	C4	N2	H32	60.1°	90.0°
H31	C4	C2	H35	3.3°	90.0°
H33	C3	C2	H35	90.1°	90.0°
H34	C3	C2	H35	30.6°	90.0°
H35	C2	N1	H36	58.7°	90.0°

Release date:	2017-11-22
Definition date:	2017-08-15
Last modified:	2017-11-17
Release status:	REL
Processing site:	RCSB
Derived from:	6ANX