S31

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C18	doub	0.00Å	1.36Å	Aromatic
C17	C16	sing	0.00Å	1.35Å	Aromatic
C18	C19	sing	0.00Å	1.37Å	Aromatic
C16	N5	doub	0.00Å	1.36Å	Aromatic
C19	C15	doub	0.00Å	1.36Å	Aromatic
N7	N8	doub	0.00Å	1.16Å
N5	C15	sing	0.00Å	1.35Å	Aromatic
N5	CU1	sing	0.00Å	2.11Å
N8	N9	doub	0.00Å	1.14Å
C15	C14	sing	0.00Å	1.52Å
N9	CU1	sing	0.00Å	1.87Å
O3	CU1	sing	0.00Å	2.29Å
CU1	N6	sing	0.00Å	2.04Å
CU1	N4	sing	0.00Å	2.14Å
C23	C24	doub	0.00Å	1.35Å	Aromatic
C23	N6	sing	0.00Å	1.36Å	Aromatic
C14	C13	sing	0.00Å	1.59Å
C24	C25	sing	0.00Å	1.36Å	Aromatic
N6	C22	doub	0.00Å	1.37Å	Aromatic
C12	N4	sing	0.00Å	1.50Å
C12	C27	sing	0.00Å	1.64Å
C13	N4	sing	0.00Å	1.57Å
N4	C20	sing	0.00Å	1.35Å
C25	C26	doub	0.00Å	1.36Å	Aromatic
C11	N3	sing	0.00Å	1.54Å
C11	C27	sing	0.00Å	1.52Å
O2	C10	doub	0.00Å	1.33Å
C22	C26	sing	0.00Å	1.36Å	Aromatic
C22	C21	sing	0.00Å	1.35Å
C10	N3	sing	0.00Å	1.30Å
C10	C9	sing	0.00Å	1.57Å
C20	C21	sing	0.00Å	1.33Å
C9	C8	sing	0.00Å	1.56Å
C8	C7	sing	0.00Å	1.53Å
C7	C6	sing	0.00Å	1.49Å
C6	C5	sing	0.00Å	1.53Å
C5	C4	sing	0.00Å	1.61Å
C5	S1	sing	0.00Å	1.75Å
N2	C4	sing	0.00Å	1.46Å
N2	C1	sing	0.00Å	1.27Å
C4	C2	sing	0.00Å	1.59Å
S1	C3	sing	0.00Å	1.75Å
C1	O1	doub	0.00Å	1.35Å
C1	N1	sing	0.00Å	1.25Å
C2	C3	sing	0.00Å	1.54Å
C2	N1	sing	0.00Å	1.48Å
C9	H1	sing	0.00Å	1.10Å
C9	H2	sing	0.00Å	1.10Å
C8	H3	sing	0.00Å	1.10Å
C8	H4	sing	0.00Å	1.10Å
C7	H5	sing	0.00Å	1.10Å
C7	H6	sing	0.00Å	1.10Å
C6	H7	sing	0.00Å	1.10Å
C6	H8	sing	0.00Å	1.10Å
C5	H9	sing	0.00Å	1.10Å
C4	H10	sing	0.00Å	1.10Å
N2	H11	sing	0.00Å	1.00Å
C3	H12	sing	0.00Å	1.10Å
C3	H13	sing	0.00Å	1.10Å
C2	H14	sing	0.00Å	1.10Å
N1	H15	sing	0.00Å	1.00Å
N3	H16	sing	0.00Å	1.00Å
C11	H17	sing	0.00Å	1.10Å
C11	H18	sing	0.00Å	1.10Å
C12	H19	sing	0.00Å	1.10Å
C12	H20	sing	0.00Å	1.10Å
C27	H21	sing	0.00Å	1.10Å
C27	H22	sing	0.00Å	1.10Å
C13	H23	sing	0.00Å	1.10Å
C13	H24	sing	0.00Å	1.10Å
C20	H25	sing	0.00Å	1.10Å
C20	H26	sing	0.00Å	1.10Å
C21	H27	sing	0.00Å	1.10Å
C21	H28	sing	0.00Å	1.10Å
C26	H29	sing	0.00Å	1.08Å
C25	H30	sing	0.00Å	1.08Å
C24	H31	sing	0.00Å	1.08Å
C23	H32	sing	0.00Å	1.08Å
N7	H33	sing	0.00Å	0.98Å
C14	H34	sing	0.00Å	1.10Å
C14	H35	sing	0.00Å	1.10Å
C16	H36	sing	0.00Å	1.08Å
C17	H37	sing	0.00Å	1.08Å
C18	H38	sing	0.00Å	1.08Å
C19	H39	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C17	C16	118.3°	90.0°
C17	C18	C19	121.1°	90.0°
C18	C17	H37	120.8°	90.0°
C17	C18	H38	119.4°	90.0°
C17	C16	N5	120.4°	90.0°
C17	C16	H36	119.8°	90.0°
C16	C17	H37	120.8°	90.0°
C18	C19	C15	120.6°	90.0°
C19	C18	H38	119.5°	90.0°
C18	C19	H39	119.7°	90.0°
C16	N5	C15	121.6°	90.0°
C16	N5	CU1	110.9°	90.0°
N5	C16	H36	119.8°	90.0°
C19	C15	N5	118.0°	90.0°
C19	C15	C14	119.1°	90.0°
C15	C19	H39	119.7°	90.0°
N7	N8	N9	179.6°	90.0°
N8	N7	H33	151.9°	90.0°
C15	N5	CU1	127.4°	90.0°
N5	C15	C14	122.9°	90.0°
N5	CU1	N9	68.3°	90.0°
N5	CU1	O3	94.2°	90.0°
N5	CU1	N6	178.3°	90.0°
N5	CU1	N4	93.6°	90.0°
N8	N9	CU1	173.3°	90.0°
C15	C14	C13	116.1°	90.0°
C15	C14	H34	107.8°	90.0°
C15	C14	H35	107.8°	90.0°
N9	CU1	O3	146.8°	90.0°
N9	CU1	N6	110.1°	90.0°
N9	CU1	N4	112.8°	90.0°
O3	CU1	N6	86.8°	90.0°
O3	CU1	N4	95.6°	90.0°
N6	CU1	N4	87.7°	90.0°
CU1	N6	C23	114.5°	90.0°
CU1	N6	C22	122.3°	90.0°
CU1	N4	C12	113.8°	90.0°
CU1	N4	C13	98.1°	90.0°
CU1	N4	C20	120.4°	90.0°
C24	C23	N6	118.7°	90.0°
C23	C24	C25	118.7°	90.0°
C23	C24	H31	120.6°	90.0°
C24	C23	H32	120.6°	90.0°
C23	N6	C22	122.9°	90.0°
N6	C23	H32	120.6°	90.0°
C14	C13	N4	126.7°	90.0°
C14	C13	H23	105.0°	90.0°
C14	C13	H24	105.0°	90.0°
C13	C14	H34	107.8°	90.0°
C13	C14	H35	107.8°	90.0°
C24	C25	C26	122.6°	90.0°
C24	C25	H30	118.7°	90.0°
C25	C24	H31	120.7°	90.0°
N6	C22	C26	117.8°	90.0°
N6	C22	C21	121.9°	90.0°
N4	C12	C27	114.9°	90.0°
C12	N4	C13	92.7°	90.0°
C12	N4	C20	113.0°	90.0°
N4	C12	H19	108.1°	90.0°
N4	C12	H20	108.1°	90.0°
C12	C27	C11	84.6°	90.0°
C27	C12	H19	108.1°	90.0°
C27	C12	H20	108.1°	90.0°
C12	C27	H21	115.3°	90.0°
C12	C27	H22	115.3°	90.0°
C13	N4	C20	114.5°	90.0°
N4	C13	H23	105.0°	90.0°
N4	C13	H24	105.0°	90.0°
N4	C20	C21	115.7°	90.0°
N4	C20	H25	107.9°	90.0°
N4	C20	H26	107.9°	90.0°
C25	C26	C22	119.1°	90.0°
C25	C26	H29	120.5°	90.0°
C26	C25	H30	118.7°	90.0°
N3	C11	C27	102.0°	90.0°
C11	N3	C10	118.2°	90.0°
C11	N3	H16	120.9°	90.0°
N3	C11	H17	111.3°	90.0°
N3	C11	H18	111.3°	90.0°
C27	C11	H17	111.3°	90.0°
C27	C11	H18	111.3°	90.0°
C11	C27	H21	115.3°	90.0°
C11	C27	H22	115.3°	90.0°
O2	C10	N3	122.7°	90.0°
O2	C10	C9	115.4°	90.0°
C26	C22	C21	120.3°	90.0°
C22	C26	H29	120.4°	90.0°
C22	C21	C20	117.8°	90.0°
C22	C21	H27	107.3°	90.0°
C22	C21	H28	107.3°	90.0°
N3	C10	C9	121.5°	90.0°
C10	N3	H16	120.9°	90.0°
C10	C9	C8	110.3°	90.0°
C10	C9	H1	109.2°	90.0°
C10	C9	H2	109.3°	90.0°
C21	C20	H25	107.9°	90.0°
C21	C20	H26	107.9°	90.0°
C20	C21	H27	107.3°	90.0°
C20	C21	H28	107.3°	90.0°
C9	C8	C7	108.8°	90.0°
C8	C9	H1	109.3°	90.0°
C8	C9	H2	109.3°	90.0°
C9	C8	H3	109.6°	90.0°
C9	C8	H4	109.6°	90.0°
C8	C7	C6	114.0°	90.0°
C7	C8	H3	109.6°	90.0°
C7	C8	H4	109.7°	90.0°
C8	C7	H5	108.3°	90.0°
C8	C7	H6	108.3°	90.0°
C7	C6	C5	118.4°	90.0°
C6	C7	H5	108.3°	90.0°
C6	C7	H6	108.3°	90.0°
C7	C6	H7	107.2°	90.0°
C7	C6	H8	107.2°	90.0°
C6	C5	C4	116.0°	90.0°
C6	C5	S1	121.3°	90.0°
C5	C6	H7	107.2°	90.0°
C5	C6	H8	107.2°	90.0°
C6	C5	H9	104.5°	90.0°
C4	C5	S1	106.5°	90.0°
C5	C4	N2	108.4°	90.0°
C5	C4	C2	109.3°	90.0°
C4	C5	H9	103.7°	90.0°
C5	C4	H10	111.9°	90.0°
C5	S1	C3	88.3°	90.0°
S1	C5	H9	102.5°	90.0°
C4	N2	C1	106.3°	90.0°
N2	C4	C2	100.2°	90.0°
N2	C4	H10	114.2°	90.0°
C4	N2	H11	126.8°	90.0°
N2	C1	O1	121.6°	90.0°
N2	C1	N1	125.7°	90.0°
C1	N2	H11	126.9°	90.0°
C4	C2	C3	101.7°	90.0°
C4	C2	N1	105.3°	90.0°
C2	C4	H10	112.2°	90.0°
C4	C2	H14	111.8°	90.0°
S1	C3	C2	112.4°	90.0°
S1	C3	H12	108.7°	90.0°
S1	C3	H13	108.7°	90.0°
O1	C1	N1	112.5°	90.0°
C1	N1	C2	102.3°	90.0°
C1	N1	H15	128.9°	90.0°
C3	C2	N1	110.8°	90.0°
C2	C3	H12	108.7°	90.0°
C2	C3	H13	108.7°	90.0°
C3	C2	H14	112.7°	90.0°
N1	C2	H14	113.6°	90.0°
C2	N1	H15	128.8°	90.0°
H1	C9	H2	109.4°	90.0°
H3	C8	H4	109.5°	90.0°
H5	C7	H6	109.5°	90.0°
H7	C6	H8	109.5°	90.0°
H12	C3	H13	109.5°	90.0°
H17	C11	H18	109.5°	90.0°
H19	C12	H20	109.5°	90.0°
H21	C27	H22	109.4°	90.0°
H23	C13	H24	109.5°	90.0°
H25	C20	H26	109.4°	90.0°
H27	C21	H28	109.5°	90.0°
H34	C14	H35	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C17	C16	H37	180.0°	90.0°
C17	C18	C19	H38	180.0°	90.0°
C18	C17	C16	N5	0.9°	90.0°
C17	C18	C19	C15	1.2°	90.0°
C18	C17	C16	H36	179.1°	90.0°
C17	C18	C19	H39	178.8°	90.0°
C16	C17	C18	C19	0.7°	90.0°
C17	C16	N5	H36	180.0°	90.0°
C17	C16	N5	C15	2.2°	90.0°
C17	C16	N5	CU1	178.6°	90.0°
C16	C17	C18	H38	179.3°	90.0°
C18	C19	C15	H39	180.0°	90.0°
C18	C19	C15	N5	0.1°	90.0°
C18	C19	C15	C14	178.7°	90.0°
C19	C18	C17	H37	179.2°	90.0°
C16	N5	C15	C19	1.7°	90.0°
C16	N5	C15	CU1	175.7°	90.0°
C16	N5	C15	C14	179.7°	90.0°
C16	N5	CU1	N9	93.2°	90.0°
C16	N5	CU1	O3	57.7°	90.0°
C16	N5	CU1	N6	63.8°	90.0°
C16	N5	CU1	N4	153.6°	90.0°
N5	C16	C17	H37	179.1°	90.0°
C19	C15	N5	C14	178.6°	90.0°
C19	C15	N5	CU1	177.5°	90.0°
C19	C15	C14	C13	178.2°	90.0°
C19	C15	C14	H34	60.8°	90.0°
C19	C15	C14	H35	57.3°	90.0°
C15	C19	C18	H38	178.8°	90.0°
N7	N8	N9	CU1	145.0°	90.0°
C15	N5	CU1	N9	82.9°	90.0°
C15	N5	CU1	O3	126.2°	90.0°
C15	N5	CU1	N6	112.3°	90.0°
C15	N5	CU1	N4	30.3°	90.0°
N5	C15	C14	C13	0.4°	90.0°
N5	C15	C14	H34	120.6°	90.0°
N5	C15	C14	H35	121.3°	90.0°
C15	N5	C16	H36	177.8°	90.0°
N5	C15	C19	H39	179.9°	90.0°
N5	CU1	N9	N8	165.3°	90.0°
CU1	N5	C15	C14	3.9°	90.0°
N5	CU1	N9	O3	62.3°	90.0°
N5	CU1	N9	N6	179.1°	90.0°
N5	CU1	N9	N4	84.7°	90.0°
N5	CU1	O3	N6	178.5°	90.0°
N5	CU1	O3	N4	94.1°	90.0°
N5	CU1	N6	N4	142.6°	90.0°
N5	CU1	N6	C23	53.8°	90.0°
N5	CU1	N6	C22	120.3°	90.0°
N5	CU1	N4	C12	46.5°	90.0°
N5	CU1	N4	C13	50.0°	90.0°
N5	CU1	N4	C20	174.7°	90.0°
CU1	N5	C16	H36	1.4°	90.0°
N8	N9	CU1	O3	103.1°	90.0°
N8	N9	CU1	N6	13.8°	90.0°
N8	N9	CU1	N4	110.0°	90.0°
N9	N8	N7	H33	151.6°	90.0°
C15	C14	C13	H34	121.0°	90.0°
C15	C14	C13	H35	120.9°	90.0°
C15	C14	C13	N4	43.0°	90.0°
C15	C14	C13	H23	79.3°	90.0°
C15	C14	C13	H24	165.3°	90.0°
C15	C14	H34	H35	117.0°	90.0°
C14	C15	C19	H39	1.3°	90.0°
N9	CU1	O3	N6	122.9°	90.0°
N9	CU1	O3	N4	149.6°	90.0°
N9	CU1	N6	N4	113.5°	90.0°
N9	CU1	N6	C23	82.9°	90.0°
N9	CU1	N6	C22	91.2°	90.0°
N9	CU1	N4	C12	114.5°	90.0°
N9	CU1	N4	C13	18.0°	90.0°
N9	CU1	N4	C20	106.7°	90.0°
O3	CU1	N6	N4	95.8°	90.0°
O3	CU1	N6	C23	67.8°	90.0°
O3	CU1	N6	C22	118.0°	90.0°
O3	CU1	N4	C12	48.0°	90.0°
O3	CU1	N4	C13	144.6°	90.0°
O3	CU1	N4	C20	90.8°	90.0°
CU1	N6	C23	C24	177.7°	90.0°
CU1	N6	C23	C22	174.1°	90.0°
N6	CU1	N4	C12	134.6°	90.0°
N6	CU1	N4	C13	128.9°	90.0°
N6	CU1	N4	C20	4.3°	90.0°
CU1	N6	C22	C26	176.9°	90.0°
CU1	N6	C22	C21	1.2°	90.0°
CU1	N6	C23	H32	2.3°	90.0°
N4	CU1	N6	C23	163.6°	90.0°
CU1	N4	C13	C14	69.8°	90.0°
N4	CU1	N6	C22	22.3°	90.0°
CU1	N4	C12	C13	100.0°	90.0°
CU1	N4	C12	C20	141.9°	90.0°
CU1	N4	C12	C27	176.6°	90.0°
CU1	N4	C13	C20	128.8°	90.0°
CU1	N4	C20	C21	36.7°	90.0°
CU1	N4	C12	H19	55.8°	90.0°
CU1	N4	C12	H20	62.6°	90.0°
CU1	N4	C13	H23	52.5°	90.0°
CU1	N4	C13	H24	168.0°	90.0°
CU1	N4	C20	H25	157.6°	90.0°
CU1	N4	C20	H26	84.3°	90.0°
C24	C23	N6	H32	180.0°	90.0°
C23	C24	C25	H31	180.0°	90.0°
C24	C23	N6	C22	3.6°	90.0°
C23	C24	C25	C26	1.4°	90.0°
C23	C24	C25	H30	178.6°	90.0°
N6	C23	C24	C25	2.5°	90.0°
C23	N6	C22	C26	3.2°	90.0°
C23	N6	C22	C21	174.9°	90.0°
N6	C23	C24	H31	177.5°	90.0°
C14	C13	N4	C12	44.7°	90.0°
C14	C13	N4	H23	122.3°	90.0°
C14	C13	N4	H24	122.3°	90.0°
C14	C13	N4	C20	161.5°	90.0°
C14	C13	H23	H24	112.3°	90.0°
C13	C14	H34	H35	117.0°	90.0°
C24	C25	C26	H30	180.0°	90.0°
C24	C25	C26	C22	1.1°	90.0°
C24	C25	C26	H29	178.9°	90.0°
C25	C24	C23	H32	177.5°	90.0°
N6	C22	C26	C25	1.9°	90.0°
N6	C22	C26	C21	178.2°	90.0°
N6	C22	C21	C20	51.9°	90.0°
N6	C22	C21	H27	173.1°	90.0°
N6	C22	C21	H28	69.2°	90.0°
N6	C22	C26	H29	178.1°	90.0°
C22	N6	C23	H32	176.4°	90.0°
N4	C12	C27	H19	120.8°	90.0°
N4	C12	C27	H20	120.8°	90.0°
C12	N4	C13	C20	116.8°	90.0°
N4	C12	C27	C11	179.9°	90.0°
C12	N4	C20	C21	175.8°	90.0°
N4	C12	H19	H20	117.5°	90.0°
N4	C12	C27	H21	64.6°	90.0°
N4	C12	C27	H22	64.4°	90.0°
C12	N4	C13	H23	167.0°	90.0°
C12	N4	C13	H24	77.6°	90.0°
C12	N4	C20	H25	63.3°	90.0°
C12	N4	C20	H26	54.8°	90.0°
C27	C12	N4	C13	76.6°	90.0°
C27	C12	N4	C20	41.5°	90.0°
C12	C27	C11	N3	163.7°	90.0°
C12	C27	C11	H21	115.5°	90.0°
C12	C27	C11	H22	115.5°	90.0°
C12	C27	C11	H17	77.5°	90.0°
C12	C27	C11	H18	44.9°	90.0°
C27	C12	H19	H20	117.5°	90.0°
C12	C27	H21	H22	131.9°	90.0°
C13	N4	C20	C21	79.8°	90.0°
C13	N4	C12	H19	44.2°	90.0°
C13	N4	C12	H20	162.6°	90.0°
N4	C13	H23	H24	112.3°	90.0°
C13	N4	C20	H25	41.1°	90.0°
C13	N4	C20	H26	159.3°	90.0°
N4	C13	C14	H34	163.9°	90.0°
N4	C13	C14	H35	78.0°	90.0°
N4	C20	C21	C22	72.7°	90.0°
N4	C20	C21	H25	120.9°	90.0°
N4	C20	C21	H26	120.9°	90.0°
C20	N4	C12	H19	162.3°	90.0°
C20	N4	C12	H20	79.3°	90.0°
C20	N4	C13	H23	76.2°	90.0°
C20	N4	C13	H24	39.2°	90.0°
N4	C20	H25	H26	117.2°	90.0°
N4	C20	C21	H27	166.1°	90.0°
N4	C20	C21	H28	48.4°	90.0°
C25	C26	C22	H29	180.0°	90.0°
C25	C26	C22	C21	176.2°	90.0°
C26	C25	C24	H31	178.6°	90.0°
N3	C11	C27	H17	118.8°	90.0°
N3	C11	C27	H18	118.8°	90.0°
C11	N3	C10	O2	16.7°	90.0°
C11	N3	C10	H16	180.0°	90.0°
C11	N3	C10	C9	171.1°	90.0°
N3	C11	H17	H18	123.5°	90.0°
N3	C11	C27	H21	80.8°	90.0°
N3	C11	C27	H22	48.2°	90.0°
C27	C11	N3	C10	89.5°	90.0°
C27	C11	N3	H16	90.5°	90.0°
C27	C11	H17	H18	123.5°	90.0°
C11	C27	C12	H19	59.1°	90.0°
C11	C27	C12	H20	59.3°	90.0°
C11	C27	H21	H22	131.9°	90.0°
O2	C10	N3	C9	172.2°	90.0°
O2	C10	C9	C8	29.8°	90.0°
O2	C10	C9	H1	90.4°	90.0°
O2	C10	C9	H2	149.9°	90.0°
O2	C10	N3	H16	163.3°	90.0°
C26	C22	C21	C20	130.0°	90.0°
C26	C22	C21	H27	8.8°	90.0°
C26	C22	C21	H28	108.8°	90.0°
C22	C26	C25	H30	178.9°	90.0°
C22	C21	C20	H27	121.2°	90.0°
C22	C21	C20	H28	121.2°	90.0°
C22	C21	C20	H25	166.3°	90.0°
C22	C21	C20	H26	48.2°	90.0°
C22	C21	H27	H28	116.2°	90.0°
C21	C22	C26	H29	3.7°	90.0°
N3	C10	C9	C8	142.9°	90.0°
N3	C10	C9	H1	96.9°	90.0°
N3	C10	C9	H2	22.8°	90.0°
C10	N3	C11	H17	151.7°	90.0°
C10	N3	C11	H18	29.2°	90.0°
C10	C9	C8	H1	120.1°	90.0°
C10	C9	C8	H2	120.2°	90.0°
C10	C9	C8	C7	83.3°	90.0°
C10	C9	H1	H2	119.6°	90.0°
C10	C9	C8	H3	36.6°	90.0°
C10	C9	C8	H4	156.8°	90.0°
C9	C10	N3	H16	8.9°	90.0°
C21	C20	H25	H26	117.1°	90.0°
C20	C21	H27	H28	116.2°	90.0°
C9	C8	C7	H3	119.9°	90.0°
C9	C8	C7	H4	119.9°	90.0°
C9	C8	C7	C6	179.8°	90.0°
C8	C9	H1	H2	119.6°	90.0°
C9	C8	H3	H4	120.3°	90.0°
C9	C8	C7	H5	59.6°	90.0°
C9	C8	C7	H6	59.1°	90.0°
C8	C7	C6	H5	120.7°	90.0°
C8	C7	C6	H6	120.7°	90.0°
C8	C7	C6	C5	179.4°	90.0°
C7	C8	C9	H1	156.6°	90.0°
C7	C8	C9	H2	36.9°	90.0°
C7	C8	H3	H4	120.3°	90.0°
C8	C7	H5	H6	117.9°	90.0°
C8	C7	C6	H7	59.3°	90.0°
C8	C7	C6	H8	58.1°	90.0°
C7	C6	C5	H7	121.3°	90.0°
C7	C6	C5	H8	121.3°	90.0°
C7	C6	C5	C4	171.2°	90.0°
C7	C6	C5	S1	57.0°	90.0°
C6	C7	C8	H3	59.9°	90.0°
C6	C7	C8	H4	60.3°	90.0°
C6	C7	H5	H6	117.9°	90.0°
C7	C6	H7	H8	116.0°	90.0°
C7	C6	C5	H9	57.8°	90.0°
C6	C5	C4	S1	138.4°	90.0°
C6	C5	C4	H9	113.9°	90.0°
C6	C5	S1	H9	115.7°	90.0°
C6	C5	C4	N2	55.6°	90.0°
C6	C5	C4	C2	163.9°	90.0°
C6	C5	S1	C3	174.5°	90.0°
C5	C6	C7	H5	58.8°	90.0°
C5	C6	C7	H6	59.9°	90.0°
C5	C6	H7	H8	115.9°	90.0°
C6	C5	C4	H10	71.2°	90.0°
C4	C5	S1	H9	108.6°	90.0°
C5	C4	N2	C2	114.4°	90.0°
C5	C4	N2	H10	125.5°	90.0°
C5	C4	N2	C1	114.6°	90.0°
C5	C4	C2	H10	124.7°	90.0°
C4	C5	S1	C3	38.8°	90.0°
C5	C4	C2	C3	4.4°	90.0°
C5	C4	C2	N1	111.2°	90.0°
C4	C5	C6	H7	49.9°	90.0°
C4	C5	C6	H8	67.5°	90.0°
C5	C4	N2	H11	65.3°	90.0°
C5	C4	C2	H14	124.9°	90.0°
S1	C5	C4	N2	82.8°	90.0°
S1	C5	C4	C2	25.5°	90.0°
C5	S1	C3	C2	45.8°	90.0°
S1	C5	C6	H7	178.3°	90.0°
S1	C5	C6	H8	64.3°	90.0°
S1	C5	C4	H10	150.4°	90.0°
C5	S1	C3	H12	166.2°	90.0°
C5	S1	C3	H13	74.7°	90.0°
C4	N2	C1	H11	180.0°	90.0°
N2	C4	C2	H10	121.5°	90.0°
C4	N2	C1	O1	176.9°	90.0°
C4	N2	C1	N1	4.0°	90.0°
N2	C4	C2	C3	118.2°	90.0°
N2	C4	C2	N1	2.6°	90.0°
N2	C4	C5	H9	169.4°	90.0°
N2	C4	C2	H14	121.3°	90.0°
C1	N2	C4	C2	0.2°	90.0°
N2	C1	O1	N1	173.7°	90.0°
N2	C1	N1	C2	5.7°	90.0°
C1	N2	C4	H10	119.9°	90.0°
N2	C1	N1	H15	174.3°	90.0°
C4	C2	C3	S1	34.6°	90.0°
C4	C2	N1	C1	4.4°	90.0°
C4	C2	C3	N1	111.6°	90.0°
C4	C2	C3	H14	119.9°	90.0°
C4	C2	N1	H14	122.7°	90.0°
C2	C4	C5	H9	82.2°	90.0°
C2	C4	N2	H11	179.8°	90.0°
C4	C2	C3	H12	155.0°	90.0°
C4	C2	C3	H13	85.9°	90.0°
C4	C2	N1	H15	175.6°	90.0°
S1	C3	C2	H12	120.5°	90.0°
S1	C3	C2	H13	120.4°	90.0°
S1	C3	C2	N1	77.0°	90.0°
C3	S1	C5	H9	69.8°	90.0°
S1	C3	H12	H13	118.7°	90.0°
S1	C3	C2	H14	154.4°	90.0°
O1	C1	N1	C2	179.1°	90.0°
O1	C1	N2	H11	3.1°	90.0°
O1	C1	N1	H15	0.9°	90.0°
C1	N1	C2	C3	113.6°	90.0°
C1	N1	C2	H15	180.0°	90.0°
N1	C1	N2	H11	175.9°	90.0°
C1	N1	C2	H14	118.3°	90.0°
C3	C2	N1	H14	128.0°	90.0°
C3	C2	C4	H10	120.3°	90.0°
C2	C3	H12	H13	118.6°	90.0°
C3	C2	N1	H15	66.4°	90.0°
N1	C2	C4	H10	124.1°	90.0°
N1	C2	C3	H12	43.4°	90.0°
N1	C2	C3	H13	162.6°	90.0°
H1	C9	C8	H3	83.5°	90.0°
H1	C9	C8	H4	36.7°	90.0°
H2	C9	C8	H3	156.8°	90.0°
H2	C9	C8	H4	83.0°	90.0°
H3	C8	C7	H5	179.5°	90.0°
H3	C8	C7	H6	60.8°	90.0°
H4	C8	C7	H5	60.3°	90.0°
H4	C8	C7	H6	179.0°	90.0°
H5	C7	C6	H7	180.0°	90.0°
H5	C7	C6	H8	62.5°	90.0°
H6	C7	C6	H7	61.4°	90.0°
H6	C7	C6	H8	178.8°	90.0°
H7	C6	C5	H9	63.5°	90.0°
H8	C6	C5	H9	179.1°	90.0°
H9	C5	C4	H10	42.6°	90.0°
H10	C4	N2	H11	60.1°	90.0°
H10	C4	C2	H14	0.2°	90.0°
H12	C3	C2	H14	85.1°	90.0°
H13	C3	C2	H14	34.0°	90.0°
H14	C2	N1	H15	61.7°	90.0°
H16	N3	C11	H17	28.3°	90.0°
H16	N3	C11	H18	150.7°	90.0°
H17	C11	C27	H21	37.9°	90.0°
H17	C11	C27	H22	167.0°	90.0°
H18	C11	C27	H21	160.4°	90.0°
H18	C11	C27	H22	70.6°	90.0°
H19	C12	C27	H21	174.6°	90.0°
H19	C12	C27	H22	56.3°	90.0°
H20	C12	C27	H21	56.2°	90.0°
H20	C12	C27	H22	174.7°	90.0°
H23	C13	C14	H34	41.7°	90.0°
H23	C13	C14	H35	159.8°	90.0°
H24	C13	C14	H34	73.8°	90.0°
H24	C13	C14	H35	44.3°	90.0°
H25	C20	C21	H27	45.1°	90.0°
H25	C20	C21	H28	72.5°	90.0°
H26	C20	C21	H27	73.0°	90.0°
H26	C20	C21	H28	169.4°	90.0°
H29	C26	C25	H30	1.1°	90.0°
H30	C25	C24	H31	1.3°	90.0°
H31	C24	C23	H32	2.5°	90.0°
H36	C16	C17	H37	0.9°	90.0°
H37	C17	C18	H38	0.7°	90.0°
H38	C18	C19	H39	1.1°	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:	5VL5