SQ1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C16	doub	0.00Å	1.40Å	Aromatic
C17	C18	sing	0.00Å	1.40Å	Aromatic
C16	N5	sing	0.00Å	1.43Å	Aromatic
C24	C23	doub	0.00Å	1.39Å	Aromatic
C24	C25	sing	0.00Å	1.39Å	Aromatic
C23	N6	sing	0.00Å	1.42Å	Aromatic
C18	C19	doub	0.00Å	1.40Å	Aromatic
C25	C26	doub	0.00Å	1.40Å	Aromatic
N5	CU1	sing	0.00Å	1.97Å
N5	C15	doub	0.00Å	1.41Å	Aromatic
N6	CU1	sing	0.00Å	1.97Å
N6	C22	doub	0.00Å	1.43Å	Aromatic
CU1	N4	sing	0.00Å	1.98Å
C19	C15	sing	0.00Å	1.40Å	Aromatic
C26	C22	sing	0.00Å	1.39Å	Aromatic
C15	C14	sing	0.00Å	1.52Å
C22	C21	sing	0.00Å	1.53Å
N4	C12	sing	0.00Å	1.46Å
N4	C20	sing	0.00Å	1.43Å
N4	C13	sing	0.00Å	1.44Å
C14	C13	sing	0.00Å	1.53Å
C21	C20	sing	0.00Å	1.52Å
C12	C11	sing	0.00Å	1.54Å
O2	C10	doub	0.00Å	1.37Å
C10	N3	sing	0.00Å	1.33Å
C10	C9	sing	0.00Å	1.51Å
C11	N3	sing	0.00Å	1.43Å
C9	C8	sing	0.00Å	1.51Å
C8	C7	sing	0.00Å	1.52Å
C7	C6	sing	0.00Å	1.51Å
C6	C5	sing	0.00Å	1.52Å
C5	C4	sing	0.00Å	1.53Å
C5	S1	sing	0.00Å	1.77Å
N2	C4	sing	0.00Å	1.43Å
N2	C1	sing	0.00Å	1.40Å
C4	C2	sing	0.00Å	1.54Å
S1	C3	sing	0.00Å	1.78Å
C1	O1	doub	0.00Å	1.34Å
C1	N1	sing	0.00Å	1.38Å
C2	C3	sing	0.00Å	1.51Å
C2	N1	sing	0.00Å	1.41Å
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
C11	H18	sing	0.00Å	1.10Å
N3	H19	sing	0.00Å	1.00Å
C9	H20	sing	0.00Å	1.10Å
C9	H21	sing	0.00Å	1.10Å
C8	H22	sing	0.00Å	1.10Å
C8	H23	sing	0.00Å	1.10Å
C7	H24	sing	0.00Å	1.10Å
C7	H25	sing	0.00Å	1.10Å
C6	H26	sing	0.00Å	1.10Å
C6	H27	sing	0.00Å	1.10Å
C5	H28	sing	0.00Å	1.10Å
C4	H29	sing	0.00Å	1.10Å
N2	H30	sing	0.00Å	1.00Å
C3	H31	sing	0.00Å	1.10Å
C3	H32	sing	0.00Å	1.10Å
C2	H33	sing	0.00Å	1.10Å
N1	H34	sing	0.00Å	1.00Å
C12	H35	sing	0.00Å	1.10Å
C11	H36	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C17	C18	119.0°	90.0°
C17	C16	N5	121.2°	90.0°
C17	C16	H9	119.4°	90.0°
C16	C17	H10	120.5°	90.0°
C17	C18	C19	120.8°	90.0°
C18	C17	H10	120.5°	90.0°
C17	C18	H11	119.6°	90.0°
C16	N5	CU1	117.0°	90.0°
C16	N5	C15	118.6°	90.0°
N5	C16	H9	119.4°	90.0°
C23	C24	C25	119.8°	90.0°
C24	C23	N6	121.5°	90.0°
C24	C23	H1	119.3°	90.0°
C23	C24	H2	120.1°	90.0°
C24	C25	C26	120.2°	90.0°
C25	C24	H2	120.1°	90.0°
C24	C25	H3	119.9°	90.0°
C23	N6	CU1	119.7°	90.0°
C23	N6	C22	117.9°	90.0°
N6	C23	H1	119.3°	90.0°
C18	C19	C15	120.3°	90.0°
C19	C18	H11	119.6°	90.0°
C18	C19	H12	119.8°	90.0°
C25	C26	C22	121.0°	90.0°
C26	C25	H3	119.9°	90.0°
C25	C26	H4	119.5°	90.0°
CU1	N5	C15	124.4°	90.0°
N5	CU1	N6	165.3°	90.0°
N5	CU1	N4	102.0°	90.0°
N5	C15	C19	120.1°	90.0°
N5	C15	C14	116.1°	90.0°
CU1	N6	C22	122.3°	90.0°
N6	CU1	N4	92.3°	90.0°
N6	C22	C26	119.6°	90.0°
N6	C22	C21	121.9°	90.0°
CU1	N4	C12	108.6°	90.0°
CU1	N4	C20	107.8°	90.0°
CU1	N4	C13	111.3°	90.0°
C19	C15	C14	123.8°	90.0°
C15	C19	H12	119.9°	90.0°
C26	C22	C21	118.5°	90.0°
C22	C26	H4	119.5°	90.0°
C15	C14	C13	116.5°	90.0°
C15	C14	H13	107.7°	90.0°
C15	C14	H14	107.7°	90.0°
C22	C21	C20	120.3°	90.0°
C22	C21	H5	106.7°	90.0°
C22	C21	H6	106.7°	90.0°
C12	N4	C20	127.6°	90.0°
C12	N4	C13	88.5°	90.0°
N4	C12	C11	118.6°	90.0°
N4	C12	H17	107.1°	90.0°
N4	C12	H35	107.1°	90.0°
C20	N4	C13	111.6°	90.0°
N4	C20	C21	115.7°	90.0°
N4	C20	H7	107.9°	90.0°
N4	C20	H8	107.9°	90.0°
N4	C13	C14	119.1°	90.0°
N4	C13	H15	107.0°	90.0°
N4	C13	H16	107.0°	90.0°
C13	C14	H13	107.7°	90.0°
C13	C14	H14	107.7°	90.0°
C14	C13	H15	107.0°	90.0°
C14	C13	H16	107.0°	90.0°
C20	C21	H5	106.7°	90.0°
C20	C21	H6	106.7°	90.0°
C21	C20	H7	107.9°	90.0°
C21	C20	H8	107.9°	90.0°
C12	C11	N3	121.0°	90.0°
C11	C12	H17	107.1°	90.0°
C12	C11	H18	106.5°	90.0°
C11	C12	H35	107.1°	90.0°
C12	C11	H36	106.5°	90.0°
O2	C10	N3	119.8°	90.0°
O2	C10	C9	118.5°	90.0°
N3	C10	C9	121.3°	90.0°
C10	N3	C11	126.9°	90.0°
C10	N3	H19	116.5°	90.0°
C10	C9	C8	113.7°	90.0°
C10	C9	H20	108.4°	90.0°
C10	C9	H21	108.4°	90.0°
N3	C11	H18	106.5°	90.0°
C11	N3	H19	116.6°	90.0°
N3	C11	H36	106.5°	90.0°
C9	C8	C7	113.1°	90.0°
C8	C9	H20	108.4°	90.0°
C8	C9	H21	108.4°	90.0°
C9	C8	H22	108.6°	90.0°
C9	C8	H23	108.6°	90.0°
C8	C7	C6	115.7°	90.0°
C7	C8	H22	108.6°	90.0°
C7	C8	H23	108.6°	90.0°
C8	C7	H24	107.9°	90.0°
C8	C7	H25	107.9°	90.0°
C7	C6	C5	114.1°	90.0°
C6	C7	H24	107.9°	90.0°
C6	C7	H25	107.9°	90.0°
C7	C6	H26	108.3°	90.0°
C7	C6	H27	108.3°	90.0°
C6	C5	C4	112.5°	90.0°
C6	C5	S1	118.3°	90.0°
C5	C6	H26	108.3°	90.0°
C5	C6	H27	108.3°	90.0°
C6	C5	H28	108.2°	90.0°
C4	C5	S1	103.7°	90.0°
C5	C4	N2	115.6°	90.0°
C5	C4	C2	108.4°	90.0°
C4	C5	H28	108.0°	90.0°
C5	C4	H29	110.1°	90.0°
C5	S1	C3	87.2°	90.0°
S1	C5	H28	105.5°	90.0°
C4	N2	C1	116.9°	90.0°
N2	C4	C2	100.6°	90.0°
N2	C4	H29	111.6°	90.0°
C4	N2	H30	121.5°	90.0°
N2	C1	O1	126.1°	90.0°
N2	C1	N1	102.3°	90.0°
C1	N2	H30	121.6°	90.0°
C4	C2	C3	106.7°	90.0°
C4	C2	N1	105.2°	90.0°
C2	C4	H29	110.0°	90.0°
C4	C2	H33	108.9°	90.0°
S1	C3	C2	104.3°	90.0°
S1	C3	H31	110.8°	90.0°
S1	C3	H32	110.8°	90.0°
O1	C1	N1	131.6°	90.0°
C1	N1	C2	115.0°	90.0°
C1	N1	H34	122.5°	90.0°
C3	C2	N1	115.8°	90.0°
C2	C3	H31	110.8°	90.0°
C2	C3	H32	110.7°	90.0°
C3	C2	H33	109.3°	90.0°
N1	C2	H33	110.6°	90.0°
C2	N1	H34	122.5°	90.0°
H5	C21	H6	109.5°	90.0°
H7	C20	H8	109.5°	90.0°
H13	C14	H14	109.5°	90.0°
H15	C13	H16	109.5°	90.0°
H17	C12	H35	109.5°	90.0°
H18	C11	H36	109.5°	90.0°
H20	C9	H21	109.5°	90.0°
H22	C8	H23	109.5°	90.0°
H24	C7	H25	109.5°	90.0°
H26	C6	H27	109.5°	90.0°
H31	C3	H32	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C17	C18	H10	180.0°	90.0°
C17	C16	N5	H9	180.0°	90.0°
C16	C17	C18	C19	0.2°	90.0°
C17	C16	N5	CU1	179.9°	90.0°
C17	C16	N5	C15	0.1°	90.0°
C16	C17	C18	H11	179.8°	90.0°
C18	C17	C16	N5	0.1°	90.0°
C17	C18	C19	H11	180.0°	90.0°
C17	C18	C19	C15	0.3°	90.0°
C18	C17	C16	H9	179.9°	90.0°
C17	C18	C19	H12	179.7°	90.0°
C16	N5	CU1	C15	180.0°	90.0°
C16	N5	CU1	N6	30.0°	90.0°
C16	N5	CU1	N4	164.0°	90.0°
C16	N5	C15	C19	0.2°	90.0°
C16	N5	C15	C14	180.0°	90.0°
N5	C16	C17	H10	179.8°	90.0°
C23	C24	C25	H2	180.0°	90.0°
C24	C23	N6	H1	180.0°	90.0°
C23	C24	C25	C26	0.5°	90.0°
C24	C23	N6	CU1	179.9°	90.0°
C24	C23	N6	C22	0.1°	90.0°
C23	C24	C25	H3	179.5°	90.0°
C25	C24	C23	N6	0.6°	90.0°
C24	C25	C26	H3	180.0°	90.0°
C24	C25	C26	C22	0.0°	90.0°
C25	C24	C23	H1	179.4°	90.0°
C24	C25	C26	H4	180.0°	90.0°
C23	N6	CU1	N5	41.9°	90.0°
C23	N6	CU1	C22	179.8°	90.0°
C23	N6	CU1	N4	151.9°	90.0°
C23	N6	C22	C26	0.4°	90.0°
C23	N6	C22	C21	179.8°	90.0°
N6	C23	C24	H2	179.4°	90.0°
C18	C19	C15	N5	0.3°	90.0°
C18	C19	C15	H12	180.0°	90.0°
C18	C19	C15	C14	179.9°	90.0°
C19	C18	C17	H10	179.8°	90.0°
C25	C26	C22	N6	0.5°	90.0°
C25	C26	C22	H4	180.0°	90.0°
C25	C26	C22	C21	179.7°	90.0°
C26	C25	C24	H2	179.5°	90.0°
N5	CU1	N6	N4	166.3°	90.0°
N5	CU1	N6	C22	138.4°	90.0°
CU1	N5	C15	C19	179.9°	90.0°
CU1	N5	C15	C14	0.0°	90.0°
N5	CU1	N4	C12	102.8°	90.0°
N5	CU1	N4	C20	115.6°	90.0°
N5	CU1	N4	C13	7.0°	90.0°
CU1	N5	C16	H9	0.1°	90.0°
C15	N5	CU1	N6	150.0°	90.0°
C15	N5	CU1	N4	15.9°	90.0°
N5	C15	C19	C14	179.8°	90.0°
N5	C15	C14	C13	41.3°	90.0°
C15	N5	C16	H9	179.9°	90.0°
N5	C15	C19	H12	179.7°	90.0°
N5	C15	C14	H13	162.4°	90.0°
N5	C15	C14	H14	79.7°	90.0°
CU1	N6	C22	C26	179.3°	90.0°
CU1	N6	C22	C21	0.4°	90.0°
N6	CU1	N4	C12	80.7°	90.0°
N6	CU1	N4	C20	60.9°	90.0°
N6	CU1	N4	C13	176.5°	90.0°
CU1	N6	C23	H1	0.1°	90.0°
C22	N6	CU1	N4	27.9°	90.0°
N6	C22	C26	C21	179.8°	90.0°
N6	C22	C21	C20	5.0°	90.0°
C22	N6	C23	H1	179.9°	90.0°
N6	C22	C26	H4	179.5°	90.0°
N6	C22	C21	H5	116.5°	90.0°
N6	C22	C21	H6	126.5°	90.0°
CU1	N4	C12	C20	131.7°	90.0°
CU1	N4	C12	C13	112.0°	90.0°
CU1	N4	C20	C13	122.4°	90.0°
CU1	N4	C13	C14	46.9°	90.0°
CU1	N4	C20	C21	71.2°	90.0°
CU1	N4	C12	C11	155.1°	90.0°
CU1	N4	C20	H7	167.9°	90.0°
CU1	N4	C20	H8	49.7°	90.0°
CU1	N4	C13	H15	168.3°	90.0°
CU1	N4	C13	H16	74.4°	90.0°
CU1	N4	C12	H17	33.8°	90.0°
CU1	N4	C12	H35	83.6°	90.0°
C19	C15	C14	C13	138.8°	90.0°
C15	C19	C18	H11	179.8°	90.0°
C19	C15	C14	H13	17.8°	90.0°
C19	C15	C14	H14	100.1°	90.0°
C26	C22	C21	C20	174.8°	90.0°
C22	C26	C25	H3	180.0°	90.0°
C26	C22	C21	H5	63.7°	90.0°
C26	C22	C21	H6	53.3°	90.0°
C15	C14	C13	N4	72.2°	90.0°
C15	C14	C13	H13	121.0°	90.0°
C15	C14	C13	H14	121.0°	90.0°
C14	C15	C19	H12	0.1°	90.0°
C15	C14	H13	H14	116.8°	90.0°
C15	C14	C13	H15	166.4°	90.0°
C15	C14	C13	H16	49.1°	90.0°
C22	C21	C20	N4	35.3°	90.0°
C22	C21	C20	H5	121.5°	90.0°
C22	C21	C20	H6	121.5°	90.0°
C21	C22	C26	H4	0.3°	90.0°
C22	C21	H5	H6	115.2°	90.0°
C22	C21	C20	H7	156.2°	90.0°
C22	C21	C20	H8	85.6°	90.0°
C12	N4	C20	C13	105.5°	90.0°
C12	N4	C13	C14	156.3°	90.0°
C12	N4	C20	C21	60.8°	90.0°
N4	C12	C11	H17	121.3°	90.0°
N4	C12	C11	H35	121.3°	90.0°
N4	C12	C11	N3	161.0°	90.0°
C12	N4	C20	H7	60.1°	90.0°
C12	N4	C20	H8	178.3°	90.0°
C12	N4	C13	H15	82.3°	90.0°
C12	N4	C13	H16	35.0°	90.0°
N4	C12	H17	H35	115.8°	90.0°
N4	C12	C11	H18	77.4°	90.0°
N4	C12	C11	H36	39.4°	90.0°
C20	N4	C13	C14	73.5°	90.0°
N4	C20	C21	H7	120.9°	90.0°
N4	C20	C21	H8	120.9°	90.0°
C20	N4	C12	C11	23.4°	90.0°
N4	C20	C21	H5	156.9°	90.0°
N4	C20	C21	H6	86.2°	90.0°
N4	C20	H7	H8	117.2°	90.0°
C20	N4	C13	H15	47.9°	90.0°
C20	N4	C13	H16	165.2°	90.0°
C20	N4	C12	H17	97.9°	90.0°
C20	N4	C12	H35	144.7°	90.0°
N4	C13	C14	H15	121.3°	90.0°
N4	C13	C14	H16	121.3°	90.0°
C13	N4	C20	C21	166.3°	90.0°
C13	N4	C12	C11	92.9°	90.0°
C13	N4	C20	H7	45.4°	90.0°
C13	N4	C20	H8	72.8°	90.0°
N4	C13	C14	H13	166.8°	90.0°
N4	C13	C14	H14	48.8°	90.0°
N4	C13	H15	H16	115.7°	90.0°
C13	N4	C12	H17	145.8°	90.0°
C13	N4	C12	H35	28.4°	90.0°
C13	C14	H13	H14	116.8°	90.0°
C14	C13	H15	H16	115.6°	90.0°
C20	C21	H5	H6	115.1°	90.0°
C21	C20	H7	H8	117.2°	90.0°
C12	C11	N3	C10	88.8°	90.0°
C12	C11	N3	H18	121.6°	90.0°
C12	C11	N3	H36	121.6°	90.0°
C11	C12	H17	H35	115.9°	90.0°
C12	C11	H18	H36	114.8°	90.0°
C12	C11	N3	H19	91.2°	90.0°
O2	C10	N3	C9	171.8°	90.0°
O2	C10	N3	C11	6.5°	90.0°
O2	C10	C9	C8	38.6°	90.0°
O2	C10	N3	H19	173.4°	90.0°
O2	C10	C9	H20	82.0°	90.0°
O2	C10	C9	H21	159.2°	90.0°
C10	N3	C11	H19	180.0°	90.0°
N3	C10	C9	C8	133.4°	90.0°
C10	N3	C11	H18	149.6°	90.0°
N3	C10	C9	H20	106.0°	90.0°
N3	C10	C9	H21	12.7°	90.0°
C10	N3	C11	H36	32.8°	90.0°
C9	C10	N3	C11	165.3°	90.0°
C10	C9	C8	H20	120.6°	90.0°
C10	C9	C8	H21	120.6°	90.0°
C10	C9	C8	C7	68.4°	90.0°
C9	C10	N3	H19	14.7°	90.0°
C10	C9	H20	H21	118.0°	90.0°
C10	C9	C8	H22	52.2°	90.0°
C10	C9	C8	H23	171.1°	90.0°
N3	C11	C12	H17	39.7°	90.0°
N3	C11	H18	H36	114.8°	90.0°
N3	C11	C12	H35	77.7°	90.0°
C9	C8	C7	H22	120.5°	90.0°
C9	C8	C7	H23	120.5°	90.0°
C9	C8	C7	C6	175.0°	90.0°
C8	C9	H20	H21	118.1°	90.0°
C9	C8	H22	H23	118.3°	90.0°
C9	C8	C7	H24	64.1°	90.0°
C9	C8	C7	H25	54.1°	90.0°
C8	C7	C6	H24	120.9°	90.0°
C8	C7	C6	H25	120.9°	90.0°
C8	C7	C6	C5	178.5°	90.0°
C7	C8	C9	H20	171.0°	90.0°
C7	C8	C9	H21	52.2°	90.0°
C7	C8	H22	H23	118.4°	90.0°
C8	C7	H24	H25	117.2°	90.0°
C8	C7	C6	H26	60.8°	90.0°
C8	C7	C6	H27	57.8°	90.0°
C7	C6	C5	H26	120.7°	90.0°
C7	C6	C5	H27	120.7°	90.0°
C7	C6	C5	C4	168.7°	90.0°
C7	C6	C5	S1	70.3°	90.0°
C6	C7	C8	H22	54.4°	90.0°
C6	C7	C8	H23	64.5°	90.0°
C6	C7	H24	H25	117.2°	90.0°
C7	C6	H26	H27	117.9°	90.0°
C7	C6	C5	H28	49.4°	90.0°
C6	C5	C4	S1	129.0°	90.0°
C6	C5	C4	H28	119.3°	90.0°
C6	C5	S1	H28	121.1°	90.0°
C6	C5	C4	N2	49.8°	90.0°
C6	C5	C4	C2	161.7°	90.0°
C6	C5	S1	C3	172.5°	90.0°
C5	C6	C7	H24	57.6°	90.0°
C5	C6	C7	H25	60.6°	90.0°
C5	C6	H26	H27	117.9°	90.0°
C6	C5	C4	H29	77.9°	90.0°
C4	C5	S1	H28	113.4°	90.0°
C5	C4	N2	C2	116.4°	90.0°
C5	C4	N2	H29	126.9°	90.0°
C5	C4	N2	C1	114.2°	90.0°
C5	C4	C2	H29	120.4°	90.0°
C4	C5	S1	C3	47.1°	90.0°
C5	C4	C2	C3	2.4°	90.0°
C5	C4	C2	N1	121.2°	90.0°
C4	C5	C6	H26	48.0°	90.0°
C4	C5	C6	H27	70.6°	90.0°
C5	C4	N2	H30	65.8°	90.0°
C5	C4	C2	H33	120.2°	90.0°
S1	C5	C4	N2	79.3°	90.0°
S1	C5	C4	C2	32.6°	90.0°
C5	S1	C3	C2	49.4°	90.0°
S1	C5	C6	H26	169.0°	90.0°
S1	C5	C6	H27	50.4°	90.0°
S1	C5	C4	H29	153.0°	90.0°
C5	S1	C3	H31	168.5°	90.0°
C5	S1	C3	H32	69.8°	90.0°
C4	N2	C1	H30	180.0°	90.0°
N2	C4	C2	H29	117.8°	90.0°
C4	N2	C1	O1	177.6°	90.0°
C4	N2	C1	N1	3.0°	90.0°
N2	C4	C2	C3	124.1°	90.0°
N2	C4	C2	N1	0.5°	90.0°
N2	C4	C5	H28	169.1°	90.0°
N2	C4	C2	H33	118.1°	90.0°
C1	N2	C4	C2	2.2°	90.0°
N2	C1	O1	N1	179.2°	90.0°
N2	C1	N1	C2	2.5°	90.0°
C1	N2	C4	H29	118.9°	90.0°
N2	C1	N1	H34	177.5°	90.0°
C4	C2	C3	S1	36.3°	90.0°
C4	C2	N1	C1	1.3°	90.0°
C4	C2	C3	N1	116.7°	90.0°
C4	C2	C3	H33	117.6°	90.0°
C4	C2	N1	H33	117.5°	90.0°
C2	C4	C5	H28	79.0°	90.0°
C2	C4	N2	H30	177.7°	90.0°
C4	C2	C3	H31	155.5°	90.0°
C4	C2	C3	H32	82.9°	90.0°
C4	C2	N1	H34	178.7°	90.0°
S1	C3	C2	H31	119.2°	90.0°
S1	C3	C2	H32	119.2°	90.0°
S1	C3	C2	N1	80.3°	90.0°
C3	S1	C5	H28	66.4°	90.0°
S1	C3	H31	H32	122.4°	90.0°
S1	C3	C2	H33	153.9°	90.0°
O1	C1	N1	C2	178.2°	90.0°
O1	C1	N2	H30	2.4°	90.0°
O1	C1	N1	H34	1.8°	90.0°
C1	N1	C2	C3	116.2°	90.0°
C1	N1	C2	H34	180.0°	90.0°
N1	C1	N2	H30	177.0°	90.0°
C1	N1	C2	H33	118.7°	90.0°
C3	C2	N1	H33	125.1°	90.0°
C3	C2	C4	H29	118.1°	90.0°
C2	C3	H31	H32	122.4°	90.0°
C3	C2	N1	H34	63.8°	90.0°
N1	C2	C4	H29	118.4°	90.0°
N1	C2	C3	H31	38.9°	90.0°
N1	C2	C3	H32	160.5°	90.0°
H1	C23	C24	H2	0.6°	90.0°
H2	C24	C25	H3	0.5°	90.0°
H3	C25	C26	H4	0.0°	90.0°
H5	C21	C20	H7	82.2°	90.0°
H5	C21	C20	H8	36.0°	90.0°
H6	C21	C20	H7	34.7°	90.0°
H6	C21	C20	H8	152.9°	90.0°
H9	C16	C17	H10	0.1°	90.0°
H10	C17	C18	H11	0.2°	90.0°
H11	C18	C19	H12	0.3°	90.0°
H13	C14	C13	H15	45.4°	90.0°
H13	C14	C13	H16	71.9°	90.0°
H14	C14	C13	H15	72.5°	90.0°
H14	C14	C13	H16	170.2°	90.0°
H17	C12	C11	H18	161.3°	90.0°
H17	C12	C11	H36	81.9°	90.0°
H18	C11	N3	H19	30.4°	90.0°
H18	C11	C12	H35	43.9°	90.0°
H19	N3	C11	H36	147.2°	90.0°
H20	C9	C8	H22	68.5°	90.0°
H20	C9	C8	H23	50.4°	90.0°
H21	C9	C8	H22	172.8°	90.0°
H21	C9	C8	H23	68.3°	90.0°
H22	C8	C7	H24	175.3°	90.0°
H22	C8	C7	H25	66.5°	90.0°
H23	C8	C7	H24	56.4°	90.0°
H23	C8	C7	H25	174.6°	90.0°
H24	C7	C6	H26	178.3°	90.0°
H24	C7	C6	H27	63.1°	90.0°
H25	C7	C6	H26	60.1°	90.0°
H25	C7	C6	H27	178.7°	90.0°
H26	C6	C5	H28	71.2°	90.0°
H27	C6	C5	H28	170.2°	90.0°
H28	C5	C4	H29	41.4°	90.0°
H29	C4	N2	H30	61.1°	90.0°
H29	C4	C2	H33	0.3°	90.0°
H31	C3	C2	H33	86.9°	90.0°
H32	C3	C2	H33	34.7°	90.0°
H33	C2	N1	H34	61.2°	90.0°
H35	C12	C11	H36	160.7°	90.0°

Release date:	2017-11-22
Definition date:	2017-07-06
Last modified:	2017-11-17
Release status:	REL
Processing site:	RCSB
Derived from:	5WBB