S32

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	1.42Å	Aromatic
C25	C26	sing	0.00Å	1.42Å	Aromatic
C23	N6	doub	0.00Å	1.41Å	Aromatic
C26	C22	doub	0.00Å	1.42Å	Aromatic
N6	C22	sing	0.00Å	1.40Å	Aromatic
N6	CU1	sing	0.00Å	2.07Å
C22	C21	sing	0.00Å	1.56Å
O3	CU1	sing	0.00Å	2.31Å
CU1	N5	sing	0.00Å	2.09Å
CU1	N4	sing	0.00Å	2.17Å
C16	C17	doub	0.00Å	1.41Å	Aromatic
C16	N5	sing	0.00Å	1.41Å	Aromatic
C21	C20	sing	0.00Å	1.56Å
C17	C18	sing	0.00Å	1.42Å	Aromatic
N5	C15	doub	0.00Å	1.41Å	Aromatic
C12	N4	sing	0.00Å	1.55Å
C12	C27	sing	0.00Å	1.54Å
C20	N4	sing	0.00Å	1.49Å
N4	C13	sing	0.00Å	1.53Å
C11	C27	sing	0.00Å	1.55Å
C11	N3	sing	0.00Å	1.49Å
C18	C19	doub	0.00Å	1.41Å	Aromatic
O2	C10	doub	0.00Å	1.33Å
C15	C19	sing	0.00Å	1.40Å	Aromatic
C15	C14	sing	0.00Å	1.52Å
C10	N3	sing	0.00Å	1.40Å
C10	C9	sing	0.00Å	1.54Å
C13	C14	sing	0.00Å	1.51Å
C9	C8	sing	0.00Å	1.55Å
C8	C7	sing	0.00Å	1.55Å
C7	C6	sing	0.00Å	1.51Å
C6	C5	sing	0.00Å	1.54Å
C5	C4	sing	0.00Å	1.54Å
C5	S1	sing	0.00Å	1.83Å
N2	C4	sing	0.00Å	1.47Å
N2	C1	sing	0.00Å	1.36Å
C4	C2	sing	0.00Å	1.57Å
S1	C3	sing	0.00Å	1.78Å
C1	O1	doub	0.00Å	1.35Å
C1	N1	sing	0.00Å	1.37Å
C2	C3	sing	0.00Å	1.54Å
C2	N1	sing	0.00Å	1.49Å
N2	H1	sing	0.00Å	1.00Å
N1	H2	sing	0.00Å	1.00Å
C2	H3	sing	0.00Å	1.10Å
C4	H4	sing	0.00Å	1.10Å
C3	H5	sing	0.00Å	1.10Å
C3	H6	sing	0.00Å	1.10Å
C5	H7	sing	0.00Å	1.10Å
C6	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
C7	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C8	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C9	H14	sing	0.00Å	1.10Å
C9	H15	sing	0.00Å	1.10Å
N3	H16	sing	0.00Å	1.00Å
C11	H17	sing	0.00Å	1.10Å
C11	H18	sing	0.00Å	1.10Å
C27	H19	sing	0.00Å	1.10Å
C27	H20	sing	0.00Å	1.10Å
C12	H21	sing	0.00Å	1.10Å
C12	H22	sing	0.00Å	1.10Å
C13	H23	sing	0.00Å	1.10Å
C13	H24	sing	0.00Å	1.10Å
C14	H25	sing	0.00Å	1.10Å
C14	H26	sing	0.00Å	1.10Å
C19	H27	sing	0.00Å	1.08Å
C18	H28	sing	0.00Å	1.08Å
C17	H29	sing	0.00Å	1.08Å
C16	H30	sing	0.00Å	1.08Å
C20	H31	sing	0.00Å	1.10Å
C20	H32	sing	0.00Å	1.10Å
C21	H33	sing	0.00Å	1.10Å
C21	H34	sing	0.00Å	1.10Å
C26	H35	sing	0.00Å	1.08Å
C25	H36	sing	0.00Å	1.08Å
C24	H37	sing	0.00Å	1.08Å
C23	H38	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	C24	C23	119.7°	90.0°
C24	C25	C26	120.2°	90.0°
C24	C25	H36	119.9°	90.0°
C25	C24	H37	120.2°	90.0°
C24	C23	N6	119.0°	90.0°
C23	C24	H37	120.1°	90.0°
C24	C23	H38	120.5°	90.0°
C25	C26	C22	120.6°	90.0°
C25	C26	H35	119.7°	90.0°
C26	C25	H36	119.9°	90.0°
C23	N6	C22	122.2°	90.0°
C23	N6	CU1	117.2°	90.0°
N6	C23	H38	120.5°	90.0°
C26	C22	N6	118.3°	90.0°
C26	C22	C21	119.3°	90.0°
C22	C26	H35	119.7°	90.0°
C22	N6	CU1	119.7°	90.0°
N6	C22	C21	122.3°	90.0°
N6	CU1	O3	92.2°	90.0°
N6	CU1	N5	164.0°	90.0°
N6	CU1	N4	94.0°	90.0°
C22	C21	C20	120.9°	90.0°
C22	C21	H33	106.5°	90.0°
C22	C21	H34	106.5°	90.0°
O3	CU1	N5	90.6°	90.0°
O3	CU1	N4	100.0°	90.0°
N5	CU1	N4	101.0°	90.0°
CU1	N5	C16	119.3°	90.0°
CU1	N5	C15	118.0°	90.0°
CU1	N4	C12	99.5°	90.0°
CU1	N4	C20	100.4°	90.0°
CU1	N4	C13	107.8°	90.0°
C17	C16	N5	117.7°	90.0°
C16	C17	C18	119.2°	90.0°
C16	C17	H29	120.4°	90.0°
C17	C16	H30	121.2°	90.0°
C16	N5	C15	122.5°	90.0°
N5	C16	H30	121.1°	90.0°
C21	C20	N4	122.0°	90.0°
C21	C20	H31	106.2°	90.0°
C21	C20	H32	106.3°	90.0°
C20	C21	H33	106.6°	90.0°
C20	C21	H34	106.6°	90.0°
C17	C18	C19	122.7°	90.0°
C17	C18	H28	118.6°	90.0°
C18	C17	H29	120.4°	90.0°
N5	C15	C19	119.9°	90.0°
N5	C15	C14	119.7°	90.0°
N4	C12	C27	93.4°	90.0°
C12	N4	C20	125.0°	90.0°
C12	N4	C13	109.4°	90.0°
N4	C12	H21	113.3°	90.0°
N4	C12	H22	113.3°	90.0°
C12	C27	C11	100.6°	90.0°
C12	C27	H19	111.6°	90.0°
C12	C27	H20	111.6°	90.0°
C27	C12	H21	113.3°	90.0°
C27	C12	H22	113.3°	90.0°
C20	N4	C13	112.1°	90.0°
N4	C20	H31	106.3°	90.0°
N4	C20	H32	106.2°	90.0°
N4	C13	C14	113.5°	90.0°
N4	C13	H23	108.5°	90.0°
N4	C13	H24	108.5°	90.0°
C27	C11	N3	115.1°	90.0°
C27	C11	H17	108.0°	90.0°
C27	C11	H18	108.0°	90.0°
C11	C27	H19	111.7°	90.0°
C11	C27	H20	111.6°	90.0°
C11	N3	C10	117.5°	90.0°
C11	N3	H16	121.2°	90.0°
N3	C11	H17	108.1°	90.0°
N3	C11	H18	108.0°	90.0°
C18	C19	C15	117.9°	90.0°
C18	C19	H27	121.0°	90.0°
C19	C18	H28	118.7°	90.0°
O2	C10	N3	121.8°	90.0°
O2	C10	C9	118.0°	90.0°
C19	C15	C14	120.4°	90.0°
C15	C19	H27	121.1°	90.0°
C15	C14	C13	111.9°	90.0°
C15	C14	H25	108.9°	90.0°
C15	C14	H26	108.9°	90.0°
N3	C10	C9	120.1°	90.0°
C10	N3	H16	121.2°	90.0°
C10	C9	C8	109.1°	90.0°
C10	C9	H14	109.6°	90.0°
C10	C9	H15	109.5°	90.0°
C14	C13	H23	108.5°	90.0°
C14	C13	H24	108.4°	90.0°
C13	C14	H25	108.9°	90.0°
C13	C14	H26	108.8°	90.0°
C9	C8	C7	114.6°	90.0°
C9	C8	H12	108.2°	90.0°
C9	C8	H13	108.1°	90.0°
C8	C9	H14	109.6°	90.0°
C8	C9	H15	109.6°	90.0°
C8	C7	C6	113.4°	90.0°
C8	C7	H10	108.5°	90.0°
C8	C7	H11	108.5°	90.0°
C7	C8	H12	108.2°	90.0°
C7	C8	H13	108.2°	90.0°
C7	C6	C5	115.5°	90.0°
C7	C6	H8	107.9°	90.0°
C7	C6	H9	108.0°	90.0°
C6	C7	H10	108.5°	90.0°
C6	C7	H11	108.5°	90.0°
C6	C5	C4	116.1°	90.0°
C6	C5	S1	110.3°	90.0°
C6	C5	H7	108.3°	90.0°
C5	C6	H8	107.9°	90.0°
C5	C6	H9	107.9°	90.0°
C4	C5	S1	107.9°	90.0°
C5	C4	N2	109.4°	90.0°
C5	C4	C2	106.5°	90.0°
C5	C4	H4	112.0°	90.0°
C4	C5	H7	108.3°	90.0°
C5	S1	C3	85.2°	90.0°
S1	C5	H7	105.3°	90.0°
C4	N2	C1	107.7°	90.0°
N2	C4	C2	103.8°	90.0°
C4	N2	H1	126.2°	90.0°
N2	C4	H4	113.1°	90.0°
N2	C1	O1	120.5°	90.0°
N2	C1	N1	117.2°	90.0°
C1	N2	H1	126.2°	90.0°
C4	C2	C3	106.6°	90.0°
C4	C2	N1	106.0°	90.0°
C4	C2	H3	111.0°	90.0°
C2	C4	H4	111.5°	90.0°
S1	C3	C2	109.1°	90.0°
S1	C3	H5	109.5°	90.0°
S1	C3	H6	109.6°	90.0°
O1	C1	N1	122.1°	90.0°
C1	N1	C2	104.9°	90.0°
C1	N1	H2	127.5°	90.0°
C3	C2	N1	109.2°	90.0°
C3	C2	H3	111.4°	90.0°
C2	C3	H5	109.6°	90.0°
C2	C3	H6	109.6°	90.0°
C2	N1	H2	127.6°	90.0°
N1	C2	H3	112.2°	90.0°
H5	C3	H6	109.5°	90.0°
H8	C6	H9	109.5°	90.0°
H10	C7	H11	109.5°	90.0°
H12	C8	H13	109.5°	90.0°
H14	C9	H15	109.5°	90.0°
H17	C11	H18	109.4°	90.0°
H19	C27	H20	109.5°	90.0°
H21	C12	H22	109.5°	90.0°
H23	C13	H24	109.5°	90.0°
H25	C14	H26	109.4°	90.0°
H31	C20	H32	109.5°	90.0°
H33	C21	H34	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	C24	C23	H37	180.0°	90.0°
C24	C25	C26	H36	180.0°	90.0°
C25	C24	C23	N6	0.9°	90.0°
C24	C25	C26	C22	2.0°	90.0°
C24	C25	C26	H35	178.0°	90.0°
C25	C24	C23	H38	179.0°	90.0°
C23	C24	C25	C26	0.9°	90.0°
C24	C23	N6	H38	180.0°	90.0°
C24	C23	N6	C22	2.2°	90.0°
C24	C23	N6	CU1	171.3°	90.0°
C23	C24	C25	H36	179.1°	90.0°
C25	C26	C22	H35	180.0°	90.0°
C25	C26	C22	N6	3.2°	90.0°
C25	C26	C22	C21	179.8°	90.0°
C26	C25	C24	H37	179.1°	90.0°
C23	N6	C22	C26	3.3°	90.0°
C23	N6	C22	CU1	168.8°	90.0°
C23	N6	C22	C21	179.8°	90.0°
C23	N6	CU1	O3	39.3°	90.0°
C23	N6	CU1	N5	60.7°	90.0°
C23	N6	CU1	N4	139.5°	90.0°
N6	C23	C24	H37	179.0°	90.0°
C26	C22	N6	C21	176.9°	90.0°
C26	C22	N6	CU1	172.1°	90.0°
C26	C22	C21	C20	154.5°	90.0°
C26	C22	C21	H33	83.9°	90.0°
C26	C22	C21	H34	32.9°	90.0°
C22	C26	C25	H36	177.9°	90.0°
C22	N6	CU1	O3	130.0°	90.0°
C22	N6	CU1	N5	130.0°	90.0°
C22	N6	CU1	N4	29.8°	90.0°
N6	C22	C21	C20	28.6°	90.0°
N6	C22	C21	H33	93.0°	90.0°
N6	C22	C21	H34	150.2°	90.0°
N6	C22	C26	H35	176.8°	90.0°
C22	N6	C23	H38	177.8°	90.0°
CU1	N6	C22	C21	11.0°	90.0°
N6	CU1	O3	N5	164.3°	90.0°
N6	CU1	O3	N4	94.4°	90.0°
N6	CU1	N5	N4	159.5°	90.0°
N6	CU1	N5	C16	42.2°	90.0°
N6	CU1	N5	C15	142.6°	90.0°
N6	CU1	N4	C12	68.3°	90.0°
N6	CU1	N4	C20	60.3°	90.0°
N6	CU1	N4	C13	177.7°	90.0°
CU1	N6	C23	H38	8.7°	90.0°
C22	C21	C20	H33	121.6°	90.0°
C22	C21	C20	H34	121.6°	90.0°
C22	C21	C20	N4	17.8°	90.0°
C22	C21	C20	H31	104.0°	90.0°
C22	C21	C20	H32	139.5°	90.0°
C22	C21	H33	H34	114.8°	90.0°
C21	C22	C26	H35	0.1°	90.0°
O3	CU1	N5	N4	100.3°	90.0°
O3	CU1	N5	C16	58.0°	90.0°
O3	CU1	N5	C15	117.2°	90.0°
O3	CU1	N4	C12	24.7°	90.0°
O3	CU1	N4	C20	153.2°	90.0°
O3	CU1	N4	C13	89.4°	90.0°
CU1	N5	C16	C17	174.2°	90.0°
CU1	N5	C16	C15	175.0°	90.0°
N5	CU1	N4	C12	117.3°	90.0°
N5	CU1	N4	C20	114.2°	90.0°
N5	CU1	N4	C13	3.2°	90.0°
CU1	N5	C15	C19	174.6°	90.0°
CU1	N5	C15	C14	8.1°	90.0°
CU1	N5	C16	H30	5.8°	90.0°
N4	CU1	N5	C16	158.4°	90.0°
CU1	N4	C20	C21	61.6°	90.0°
N4	CU1	N5	C15	16.9°	90.0°
CU1	N4	C12	C20	110.0°	90.0°
CU1	N4	C12	C13	112.8°	90.0°
CU1	N4	C12	C27	173.5°	90.0°
CU1	N4	C20	C13	114.2°	90.0°
CU1	N4	C13	C14	48.8°	90.0°
CU1	N4	C12	H21	56.3°	90.0°
CU1	N4	C12	H22	69.3°	90.0°
CU1	N4	C13	H23	169.5°	90.0°
CU1	N4	C13	H24	71.7°	90.0°
CU1	N4	C20	H31	60.1°	90.0°
CU1	N4	C20	H32	176.7°	90.0°
C17	C16	N5	H30	180.0°	90.0°
C16	C17	C18	H29	180.0°	90.0°
C17	C16	N5	C15	0.8°	90.0°
C16	C17	C18	C19	0.5°	90.0°
C16	C17	C18	H28	179.5°	90.0°
N5	C16	C17	C18	0.8°	90.0°
C16	N5	C15	C19	0.5°	90.0°
C16	N5	C15	C14	176.8°	90.0°
N5	C16	C17	H29	179.2°	90.0°
C21	C20	N4	C12	47.9°	90.0°
C21	C20	N4	H31	121.7°	90.0°
C21	C20	N4	H32	121.7°	90.0°
C21	C20	N4	C13	175.8°	90.0°
C21	C20	H31	H32	114.4°	90.0°
C20	C21	H33	H34	114.9°	90.0°
C17	C18	C19	H28	180.0°	90.0°
C17	C18	C19	C15	0.1°	90.0°
C17	C18	C19	H27	179.9°	90.0°
C18	C17	C16	H30	179.2°	90.0°
N5	C15	C19	C18	0.1°	90.0°
N5	C15	C19	C14	177.2°	90.0°
N5	C15	C14	C13	60.8°	90.0°
N5	C15	C14	H25	178.8°	90.0°
N5	C15	C14	H26	59.5°	90.0°
N5	C15	C19	H27	179.9°	90.0°
C15	N5	C16	H30	179.2°	90.0°
N4	C12	C27	H21	117.2°	90.0°
N4	C12	C27	H22	117.2°	90.0°
C12	N4	C20	C13	136.3°	90.0°
N4	C12	C27	C11	162.0°	90.0°
C12	N4	C13	C14	156.1°	90.0°
N4	C12	C27	H19	79.5°	90.0°
N4	C12	C27	H20	43.4°	90.0°
N4	C12	H21	H22	127.6°	90.0°
C12	N4	C13	H23	83.3°	90.0°
C12	N4	C13	H24	35.5°	90.0°
C12	N4	C20	H31	169.6°	90.0°
C12	N4	C20	H32	73.8°	90.0°
C27	C12	N4	C20	63.5°	90.0°
C27	C12	N4	C13	73.7°	90.0°
C12	C27	C11	H19	118.5°	90.0°
C12	C27	C11	H20	118.5°	90.0°
C12	C27	C11	N3	176.6°	90.0°
C12	C27	C11	H17	55.7°	90.0°
C12	C27	C11	H18	62.6°	90.0°
C12	C27	H19	H20	124.1°	90.0°
C27	C12	H21	H22	127.6°	90.0°
C20	N4	C13	C14	60.8°	90.0°
C20	N4	C12	H21	53.7°	90.0°
C20	N4	C12	H22	179.3°	90.0°
C20	N4	C13	H23	59.9°	90.0°
C20	N4	C13	H24	178.7°	90.0°
N4	C20	H31	H32	114.3°	90.0°
N4	C20	C21	H33	139.3°	90.0°
N4	C20	C21	H34	103.8°	90.0°
N4	C13	C14	C15	87.4°	90.0°
N4	C13	C14	H23	120.6°	90.0°
N4	C13	C14	H24	120.6°	90.0°
C13	N4	C12	H21	169.1°	90.0°
C13	N4	C12	H22	43.5°	90.0°
N4	C13	H23	H24	118.2°	90.0°
N4	C13	C14	H25	152.2°	90.0°
N4	C13	C14	H26	33.0°	90.0°
C13	N4	C20	H31	54.0°	90.0°
C13	N4	C20	H32	62.5°	90.0°
C27	C11	N3	H17	120.9°	90.0°
C27	C11	N3	H18	120.8°	90.0°
C27	C11	N3	C10	84.5°	90.0°
C27	C11	N3	H16	95.5°	90.0°
C27	C11	H17	H18	117.4°	90.0°
C11	C27	H19	H20	124.1°	90.0°
C11	C27	C12	H21	44.7°	90.0°
C11	C27	C12	H22	80.8°	90.0°
C11	N3	C10	O2	14.9°	90.0°
C11	N3	C10	H16	180.0°	90.0°
C11	N3	C10	C9	162.1°	90.0°
N3	C11	H17	H18	117.4°	90.0°
N3	C11	C27	H19	64.9°	90.0°
N3	C11	C27	H20	58.1°	90.0°
C18	C19	C15	H27	180.0°	90.0°
C18	C19	C15	C14	177.1°	90.0°
C19	C18	C17	H29	179.5°	90.0°
O2	C10	N3	C9	177.0°	90.0°
O2	C10	C9	C8	40.0°	90.0°
O2	C10	C9	H14	80.0°	90.0°
O2	C10	C9	H15	159.9°	90.0°
O2	C10	N3	H16	165.1°	90.0°
C19	C15	C14	C13	121.9°	90.0°
C19	C15	C14	H25	1.5°	90.0°
C19	C15	C14	H26	117.7°	90.0°
C15	C19	C18	H28	179.8°	90.0°
C15	C14	C13	H25	120.4°	90.0°
C15	C14	C13	H26	120.4°	90.0°
C15	C14	C13	H23	152.0°	90.0°
C15	C14	C13	H24	33.2°	90.0°
C15	C14	H25	H26	118.9°	90.0°
C14	C15	C19	H27	2.9°	90.0°
N3	C10	C9	C8	142.9°	90.0°
N3	C10	C9	H14	97.1°	90.0°
N3	C10	C9	H15	23.0°	90.0°
C10	N3	C11	H17	36.4°	90.0°
C10	N3	C11	H18	154.7°	90.0°
C10	C9	C8	H14	119.9°	90.0°
C10	C9	C8	H15	119.9°	90.0°
C10	C9	C8	C7	68.5°	90.0°
C10	C9	C8	H12	52.3°	90.0°
C10	C9	C8	H13	170.8°	90.0°
C10	C9	H14	H15	120.1°	90.0°
C9	C10	N3	H16	17.9°	90.0°
C14	C13	H23	H24	118.1°	90.0°
C13	C14	H25	H26	118.9°	90.0°
C9	C8	C7	H12	120.8°	90.0°
C9	C8	C7	H13	120.7°	90.0°
C9	C8	C7	C6	170.6°	90.0°
C9	C8	C7	H10	50.0°	90.0°
C9	C8	C7	H11	68.8°	90.0°
C9	C8	H12	H13	117.6°	90.0°
C8	C9	H14	H15	120.2°	90.0°
C8	C7	C6	H10	120.6°	90.0°
C8	C7	C6	H11	120.6°	90.0°
C8	C7	C6	C5	179.0°	90.0°
C8	C7	C6	H8	60.1°	90.0°
C8	C7	C6	H9	58.1°	90.0°
C8	C7	H10	H11	118.2°	90.0°
C7	C8	H12	H13	117.7°	90.0°
C7	C8	C9	H14	171.6°	90.0°
C7	C8	C9	H15	51.5°	90.0°
C7	C6	C5	H8	120.9°	90.0°
C7	C6	C5	H9	120.9°	90.0°
C7	C6	C5	C4	161.7°	90.0°
C7	C6	C5	S1	75.3°	90.0°
C7	C6	C5	H7	39.6°	90.0°
C7	C6	H8	H9	117.3°	90.0°
C6	C7	H10	H11	118.3°	90.0°
C6	C7	C8	H12	68.6°	90.0°
C6	C7	C8	H13	49.9°	90.0°
C6	C5	C4	S1	124.4°	90.0°
C6	C5	C4	H7	122.1°	90.0°
C6	C5	S1	H7	116.7°	90.0°
C6	C5	C4	N2	45.0°	90.0°
C6	C5	C4	C2	156.7°	90.0°
C6	C5	S1	C3	172.0°	90.0°
C6	C5	C4	H4	81.1°	90.0°
C5	C6	H8	H9	117.3°	90.0°
C5	C6	C7	H10	58.4°	90.0°
C5	C6	C7	H11	60.4°	90.0°
C4	C5	S1	H7	115.6°	90.0°
C5	C4	N2	C2	113.4°	90.0°
C5	C4	N2	H4	125.5°	90.0°
C5	C4	N2	C1	117.7°	90.0°
C5	C4	C2	H4	122.4°	90.0°
C4	C5	S1	C3	44.3°	90.0°
C5	C4	C2	C3	0.6°	90.0°
C5	C4	C2	N1	116.9°	90.0°
C5	C4	N2	H1	62.4°	90.0°
C5	C4	C2	H3	121.0°	90.0°
C4	C5	C6	H8	40.8°	90.0°
C4	C5	C6	H9	77.5°	90.0°
S1	C5	C4	N2	79.3°	90.0°
S1	C5	C4	C2	32.3°	90.0°
C5	S1	C3	C2	44.2°	90.0°
S1	C5	C4	H4	154.5°	90.0°
C5	S1	C3	H5	164.2°	90.0°
C5	S1	C3	H6	75.7°	90.0°
S1	C5	C6	H8	163.9°	90.0°
S1	C5	C6	H9	45.6°	90.0°
C4	N2	C1	H1	180.0°	90.0°
N2	C4	C2	H4	122.1°	90.0°
C4	N2	C1	O1	179.5°	90.0°
C4	N2	C1	N1	6.2°	90.0°
N2	C4	C2	C3	114.9°	90.0°
N2	C4	C2	N1	1.4°	90.0°
N2	C4	C2	H3	123.5°	90.0°
N2	C4	C5	H7	167.1°	90.0°
C1	N2	C4	C2	4.2°	90.0°
N2	C1	O1	N1	174.0°	90.0°
N2	C1	N1	C2	5.2°	90.0°
N2	C1	N1	H2	174.8°	90.0°
C1	N2	C4	H4	116.8°	90.0°
C4	C2	C3	S1	32.5°	90.0°
C4	C2	N1	C1	1.9°	90.0°
C4	C2	C3	N1	114.2°	90.0°
C4	C2	C3	H3	121.3°	90.0°
C4	C2	N1	H3	121.4°	90.0°
C2	C4	N2	H1	175.8°	90.0°
C4	C2	N1	H2	178.1°	90.0°
C4	C2	C3	H5	152.4°	90.0°
C4	C2	C3	H6	87.5°	90.0°
C2	C4	C5	H7	81.2°	90.0°
S1	C3	C2	H5	119.9°	90.0°
S1	C3	C2	H6	119.9°	90.0°
S1	C3	C2	N1	81.7°	90.0°
S1	C3	C2	H3	153.8°	90.0°
S1	C3	H5	H6	120.2°	90.0°
C3	S1	C5	H7	71.3°	90.0°
O1	C1	N1	C2	179.4°	90.0°
O1	C1	N2	H1	0.5°	90.0°
O1	C1	N1	H2	0.6°	90.0°
C1	N1	C2	C3	116.5°	90.0°
C1	N1	C2	H2	180.0°	90.0°
N1	C1	N2	H1	173.8°	90.0°
C1	N1	C2	H3	119.5°	90.0°
C3	C2	N1	H3	124.1°	90.0°
C3	C2	N1	H2	63.5°	90.0°
C3	C2	C4	H4	123.0°	90.0°
C2	C3	H5	H6	120.2°	90.0°
N1	C2	C4	H4	120.7°	90.0°
N1	C2	C3	H5	38.2°	90.0°
N1	C2	C3	H6	158.4°	90.0°
H1	N2	C4	H4	63.2°	90.0°
H2	N1	C2	H3	60.5°	90.0°
H3	C2	C4	H4	1.4°	90.0°
H3	C2	C3	H5	86.3°	90.0°
H3	C2	C3	H6	33.9°	90.0°
H4	C4	C5	H7	40.9°	90.0°
H7	C5	C6	H8	81.3°	90.0°
H7	C5	C6	H9	160.4°	90.0°
H8	C6	C7	H10	179.3°	90.0°
H8	C6	C7	H11	60.4°	90.0°
H9	C6	C7	H10	62.4°	90.0°
H9	C6	C7	H11	178.7°	90.0°
H10	C7	C8	H12	170.8°	90.0°
H10	C7	C8	H13	70.7°	90.0°
H11	C7	C8	H12	52.0°	90.0°
H11	C7	C8	H13	170.5°	90.0°
H12	C8	C9	H14	67.6°	90.0°
H12	C8	C9	H15	172.2°	90.0°
H13	C8	C9	H14	50.8°	90.0°
H13	C8	C9	H15	69.3°	90.0°
H16	N3	C11	H17	143.6°	90.0°
H16	N3	C11	H18	25.3°	90.0°
H17	C11	C27	H19	174.3°	90.0°
H17	C11	C27	H20	62.8°	90.0°
H18	C11	C27	H19	56.0°	90.0°
H18	C11	C27	H20	178.9°	90.0°
H19	C27	C12	H21	163.3°	90.0°
H19	C27	C12	H22	37.7°	90.0°
H20	C27	C12	H21	73.8°	90.0°
H20	C27	C12	H22	160.6°	90.0°
H23	C13	C14	H25	31.6°	90.0°
H23	C13	C14	H26	87.7°	90.0°
H24	C13	C14	H25	87.2°	90.0°
H24	C13	C14	H26	153.6°	90.0°
H27	C19	C18	H28	0.2°	90.0°
H28	C18	C17	H29	0.5°	90.0°
H29	C17	C16	H30	0.8°	90.0°
H31	C20	C21	H33	17.6°	90.0°
H31	C20	C21	H34	134.4°	90.0°
H32	C20	C21	H33	98.9°	90.0°
H32	C20	C21	H34	17.9°	90.0°
H35	C26	C25	H36	2.0°	90.0°
H36	C25	C24	H37	0.9°	90.0°
H37	C24	C23	H38	1.0°	90.0°

Release date:	2018-04-18
Definition date:	2017-05-02
Last modified:	2018-04-13
Release status:	REL
Processing site:	RCSB
Derived from:	5VL8