CU6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C18	doub	0.00Å	1.44Å	Aromatic
C17	C16	sing	0.00Å	1.44Å	Aromatic
C18	C19	sing	0.00Å	1.46Å	Aromatic
C16	N5	doub	0.00Å	1.48Å	Aromatic
C19	C15	doub	0.00Å	1.46Å	Aromatic
N5	C15	sing	0.00Å	1.43Å	Aromatic
N5	CU1	sing	0.00Å	2.02Å
C23	C24	doub	0.00Å	1.42Å	Aromatic
C23	N6	sing	0.00Å	1.45Å	Aromatic
C15	C14	sing	0.00Å	1.53Å
CU1	N6	sing	0.00Å	2.09Å
CU1	N4	sing	0.00Å	2.06Å
C24	C25	sing	0.00Å	1.41Å	Aromatic
N6	C22	doub	0.00Å	1.50Å	Aromatic
C14	C13	sing	0.00Å	1.56Å
C25	C26	doub	0.00Å	1.39Å	Aromatic
C22	C26	sing	0.00Å	1.46Å	Aromatic
C22	C21	sing	0.00Å	1.54Å
N4	C12	sing	0.00Å	1.52Å
N4	C13	sing	0.00Å	1.53Å
N4	C20	sing	0.00Å	1.44Å
C12	C11	sing	0.00Å	1.48Å
C21	C20	sing	0.00Å	1.54Å
O2	C10	doub	0.00Å	1.34Å
C10	N3	sing	0.00Å	1.35Å
C10	C9	sing	0.00Å	1.47Å
C11	N3	sing	0.00Å	1.49Å
C9	C8	sing	0.00Å	1.52Å
C8	C7	sing	0.00Å	1.57Å
C7	C6	sing	0.00Å	1.53Å
C6	C5	sing	0.00Å	1.59Å
C5	C4	sing	0.00Å	1.52Å
C5	S1	sing	0.00Å	1.84Å
N2	C4	sing	0.00Å	1.44Å
N2	C1	sing	0.00Å	1.39Å
C4	C2	sing	0.00Å	1.57Å
S1	C3	sing	0.00Å	1.82Å
C1	O1	doub	0.00Å	1.32Å
C1	N1	sing	0.00Å	1.40Å
C2	C3	sing	0.00Å	1.58Å
C2	N1	sing	0.00Å	1.45Å
CU1	O4	sing	0.00Å	2.46Å
CU1	O3	sing	0.00Å	2.51Å
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
C5	H5	sing	0.00Å	1.10Å
C6	H6	sing	0.00Å	1.10Å
C6	H7	sing	0.00Å	1.10Å
C7	H8	sing	0.00Å	1.10Å
C7	H9	sing	0.00Å	1.10Å
C8	H10	sing	0.00Å	1.10Å
C8	H11	sing	0.00Å	1.10Å
C9	H12	sing	0.00Å	1.10Å
C9	H13	sing	0.00Å	1.10Å
C11	H14	sing	0.00Å	1.10Å
C11	H15	sing	0.00Å	1.10Å
C13	H16	sing	0.00Å	1.10Å
C13	H17	sing	0.00Å	1.10Å
C14	H18	sing	0.00Å	1.10Å
C14	H19	sing	0.00Å	1.10Å
C16	H20	sing	0.00Å	1.08Å
C17	H21	sing	0.00Å	1.08Å
C19	H22	sing	0.00Å	1.08Å
C20	H23	sing	0.00Å	1.10Å
C20	H24	sing	0.00Å	1.10Å
C25	H25	sing	0.00Å	1.08Å
C26	H26	sing	0.00Å	1.08Å
C23	H27	sing	0.00Å	1.08Å
C24	H28	sing	0.00Å	1.08Å
C21	H29	sing	0.00Å	1.10Å
C21	H30	sing	0.00Å	1.10Å
C18	H31	sing	0.00Å	1.08Å
C12	H32	sing	0.00Å	1.10Å
C12	H33	sing	0.00Å	1.10Å
N3	H34	sing	0.00Å	1.00Å
N2	H35	sing	0.00Å	1.00Å
N1	H36	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C17	C16	118.9°	90.0°
C17	C18	C19	121.2°	90.0°
C18	C17	H21	120.5°	90.0°
C17	C18	H31	119.4°	90.0°
C17	C16	N5	120.3°	90.0°
C17	C16	H20	119.9°	90.0°
C16	C17	H21	120.5°	90.0°
C18	C19	C15	119.9°	90.0°
C18	C19	H22	120.1°	90.0°
C19	C18	H31	119.4°	90.0°
C16	N5	C15	120.4°	90.0°
C16	N5	CU1	116.7°	90.0°
N5	C16	H20	119.9°	90.0°
C19	C15	N5	119.3°	90.0°
C19	C15	C14	119.8°	90.0°
C15	C19	H22	120.0°	90.0°
C15	N5	CU1	123.0°	90.0°
N5	C15	C14	120.9°	90.0°
N5	CU1	N6	171.0°	90.0°
N5	CU1	N4	101.6°	90.0°
N5	CU1	O4	83.2°	90.0°
N5	CU1	O3	84.7°	90.0°
C24	C23	N6	120.5°	90.0°
C23	C24	C25	124.1°	90.0°
C24	C23	H27	119.8°	90.0°
C23	C24	H28	117.9°	90.0°
C23	N6	CU1	120.4°	90.0°
C23	N6	C22	113.8°	90.0°
N6	C23	H27	119.7°	90.0°
C15	C14	C13	123.9°	90.0°
C15	C14	H18	105.7°	90.0°
C15	C14	H19	105.8°	90.0°
N6	CU1	N4	86.9°	90.0°
CU1	N6	C22	125.8°	90.0°
N6	CU1	O4	89.3°	90.0°
N6	CU1	O3	96.1°	90.0°
CU1	N4	C12	98.7°	90.0°
CU1	N4	C13	104.2°	90.0°
CU1	N4	C20	123.9°	90.0°
N4	CU1	O4	127.9°	90.0°
N4	CU1	O3	103.8°	90.0°
C24	C25	C26	119.9°	90.0°
C24	C25	H25	120.0°	90.0°
C25	C24	H28	118.0°	90.0°
N6	C22	C26	123.9°	90.0°
N6	C22	C21	117.7°	90.0°
C14	C13	N4	126.1°	90.0°
C14	C13	H16	105.2°	90.0°
C14	C13	H17	105.2°	90.0°
C13	C14	H18	105.8°	90.0°
C13	C14	H19	105.7°	90.0°
C25	C26	C22	117.7°	90.0°
C26	C25	H25	120.1°	90.0°
C25	C26	H26	121.1°	90.0°
C26	C22	C21	118.4°	90.0°
C22	C26	H26	121.2°	90.0°
C22	C21	C20	105.4°	90.0°
C22	C21	H29	110.5°	90.0°
C22	C21	H30	110.5°	90.0°
C12	N4	C13	107.3°	90.0°
C12	N4	C20	116.6°	90.0°
N4	C12	C11	111.6°	90.0°
N4	C12	H32	109.0°	90.0°
N4	C12	H33	108.9°	90.0°
C13	N4	C20	104.8°	90.0°
N4	C13	H16	105.2°	90.0°
N4	C13	H17	105.2°	90.0°
N4	C20	C21	118.3°	90.0°
N4	C20	H23	107.2°	90.0°
N4	C20	H24	107.2°	90.0°
C12	C11	N3	119.7°	90.0°
C12	C11	H14	106.9°	90.0°
C12	C11	H15	106.9°	90.0°
C11	C12	H32	108.9°	90.0°
C11	C12	H33	108.9°	90.0°
C21	C20	H23	107.2°	90.0°
C21	C20	H24	107.2°	90.0°
C20	C21	H29	110.5°	90.0°
C20	C21	H30	110.5°	90.0°
O2	C10	N3	119.1°	90.0°
O2	C10	C9	117.7°	90.0°
N3	C10	C9	123.0°	90.0°
C10	N3	C11	118.0°	90.0°
C10	N3	H34	121.0°	90.0°
C10	C9	C8	112.0°	90.0°
C10	C9	H12	108.8°	90.0°
C10	C9	H13	108.8°	90.0°
N3	C11	H14	106.9°	90.0°
N3	C11	H15	106.9°	90.0°
C11	N3	H34	121.0°	90.0°
C9	C8	C7	111.3°	90.0°
C9	C8	H10	109.0°	90.0°
C9	C8	H11	109.0°	90.0°
C8	C9	H12	108.9°	90.0°
C8	C9	H13	108.8°	90.0°
C8	C7	C6	109.4°	90.0°
C8	C7	H8	109.5°	90.0°
C8	C7	H9	109.5°	90.0°
C7	C8	H10	109.0°	90.0°
C7	C8	H11	109.0°	90.0°
C7	C6	C5	116.4°	90.0°
C7	C6	H6	107.7°	90.0°
C7	C6	H7	107.7°	90.0°
C6	C7	H8	109.5°	90.0°
C6	C7	H9	109.5°	90.0°
C6	C5	C4	115.1°	90.0°
C6	C5	S1	112.3°	90.0°
C6	C5	H5	108.7°	90.0°
C5	C6	H6	107.7°	90.0°
C5	C6	H7	107.7°	90.0°
C4	C5	S1	104.8°	90.0°
C5	C4	N2	115.5°	90.0°
C5	C4	C2	108.3°	90.0°
C5	C4	H4	109.2°	90.0°
C4	C5	H5	109.5°	90.0°
C5	S1	C3	87.0°	90.0°
S1	C5	H5	106.0°	90.0°
C4	N2	C1	111.9°	90.0°
N2	C4	C2	104.9°	90.0°
N2	C4	H4	110.3°	90.0°
C4	N2	H35	124.1°	90.0°
N2	C1	O1	122.8°	90.0°
N2	C1	N1	107.3°	90.0°
C1	N2	H35	124.1°	90.0°
C4	C2	C3	107.1°	90.0°
C4	C2	N1	102.4°	90.0°
C4	C2	H1	112.8°	90.0°
C2	C4	H4	108.5°	90.0°
S1	C3	C2	106.2°	90.0°
S1	C3	H2	110.3°	90.0°
S1	C3	H3	110.3°	90.0°
O1	C1	N1	127.3°	90.0°
C1	N1	C2	112.3°	90.0°
C1	N1	H36	123.9°	90.0°
C3	C2	N1	106.5°	90.0°
C3	C2	H1	112.5°	90.0°
C2	C3	H2	110.3°	90.0°
C2	C3	H3	110.3°	90.0°
N1	C2	H1	114.8°	90.0°
C2	N1	H36	123.8°	90.0°
O4	CU1	O3	128.3°	90.0°
H2	C3	H3	109.5°	90.0°
H6	C6	H7	109.5°	90.0°
H8	C7	H9	109.5°	90.0°
H10	C8	H11	109.4°	90.0°
H12	C9	H13	109.4°	90.0°
H14	C11	H15	109.5°	90.0°
H16	C13	H17	109.5°	90.0°
H18	C14	H19	109.5°	90.0°
H23	C20	H24	109.5°	90.0°
H29	C21	H30	109.4°	90.0°
H32	C12	H33	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C17	C16	H21	180.0°	90.0°
C17	C18	C19	H31	180.0°	90.0°
C18	C17	C16	N5	0.9°	90.0°
C17	C18	C19	C15	1.0°	90.0°
C18	C17	C16	H20	179.1°	90.0°
C17	C18	C19	H22	179.0°	90.0°
C16	C17	C18	C19	0.6°	90.0°
C17	C16	N5	H20	180.0°	90.0°
C17	C16	N5	C15	0.5°	90.0°
C17	C16	N5	CU1	178.8°	90.0°
C16	C17	C18	H31	179.4°	90.0°
C18	C19	C15	H22	180.0°	90.0°
C18	C19	C15	N5	2.4°	90.0°
C18	C19	C15	C14	178.3°	90.0°
C19	C18	C17	H21	179.4°	90.0°
C16	N5	C15	C19	2.2°	90.0°
C16	N5	C15	CU1	179.3°	90.0°
C16	N5	C15	C14	178.5°	90.0°
C16	N5	CU1	N6	41.3°	90.0°
C16	N5	CU1	N4	157.4°	90.0°
C16	N5	CU1	O4	75.2°	90.0°
C16	N5	CU1	O3	54.4°	90.0°
N5	C16	C17	H21	179.1°	90.0°
C19	C15	N5	C14	179.3°	90.0°
C19	C15	N5	CU1	177.1°	90.0°
C19	C15	C14	C13	179.8°	90.0°
C19	C15	C14	H18	58.2°	90.0°
C19	C15	C14	H19	57.9°	90.0°
C15	C19	C18	H31	179.0°	90.0°
C15	N5	CU1	N6	138.1°	90.0°
C15	N5	CU1	N4	23.2°	90.0°
N5	C15	C14	C13	0.9°	90.0°
C15	N5	CU1	O4	104.1°	90.0°
C15	N5	CU1	O3	126.3°	90.0°
N5	C15	C14	H18	121.1°	90.0°
N5	C15	C14	H19	122.8°	90.0°
C15	N5	C16	H20	179.5°	90.0°
N5	C15	C19	H22	177.6°	90.0°
N5	CU1	N6	C23	50.2°	90.0°
CU1	N5	C15	C14	2.1°	90.0°
N5	CU1	N6	N4	161.7°	90.0°
N5	CU1	N6	O4	33.7°	90.0°
N5	CU1	N6	O3	94.8°	90.0°
N5	CU1	N4	O4	90.4°	90.0°
N5	CU1	N4	O3	87.3°	90.0°
N5	CU1	N6	C22	129.6°	90.0°
N5	CU1	N4	C12	68.5°	90.0°
N5	CU1	N4	C13	41.9°	90.0°
N5	CU1	N4	C20	161.1°	90.0°
N5	CU1	O4	O3	77.7°	90.0°
CU1	N5	C16	H20	1.1°	90.0°
C24	C23	N6	H27	180.0°	90.0°
C24	C23	N6	CU1	179.8°	90.0°
C23	C24	C25	H28	180.0°	90.0°
C24	C23	N6	C22	0.1°	90.0°
C23	C24	C25	C26	1.9°	90.0°
C23	C24	C25	H25	178.1°	90.0°
C23	N6	CU1	C22	179.8°	90.0°
C23	N6	CU1	N4	148.2°	90.0°
N6	C23	C24	C25	1.3°	90.0°
C23	N6	C22	C26	0.7°	90.0°
C23	N6	C22	C21	179.6°	90.0°
C23	N6	CU1	O4	83.9°	90.0°
C23	N6	CU1	O3	44.6°	90.0°
N6	C23	C24	H28	178.6°	90.0°
C15	C14	C13	H18	122.0°	90.0°
C15	C14	C13	H19	122.0°	90.0°
C15	C14	C13	N4	31.4°	90.0°
C15	C14	C13	H16	90.8°	90.0°
C15	C14	C13	H17	153.6°	90.0°
C15	C14	H18	H19	113.5°	90.0°
C14	C15	C19	H22	1.7°	90.0°
N6	CU1	N4	O4	86.7°	90.0°
N6	CU1	N4	O3	95.6°	90.0°
CU1	N6	C22	C26	179.5°	90.0°
CU1	N6	C22	C21	0.6°	90.0°
N6	CU1	N4	C12	114.3°	90.0°
N6	CU1	N4	C13	135.2°	90.0°
N6	CU1	N4	C20	16.1°	90.0°
N6	CU1	O4	O3	97.3°	90.0°
CU1	N6	C23	H27	0.2°	90.0°
N4	CU1	N6	C22	32.0°	90.0°
CU1	N4	C13	C14	51.9°	90.0°
CU1	N4	C12	C13	107.9°	90.0°
CU1	N4	C12	C20	135.0°	90.0°
CU1	N4	C13	C20	131.4°	90.0°
CU1	N4	C12	C11	177.6°	90.0°
CU1	N4	C20	C21	31.9°	90.0°
N4	CU1	O4	O3	177.1°	90.0°
CU1	N4	C13	H16	70.3°	90.0°
CU1	N4	C13	H17	174.2°	90.0°
CU1	N4	C20	H23	153.1°	90.0°
CU1	N4	C20	H24	89.4°	90.0°
CU1	N4	C12	H32	57.3°	90.0°
CU1	N4	C12	H33	62.1°	90.0°
C24	C25	C26	H25	180.0°	90.0°
C24	C25	C26	C22	1.0°	90.0°
C24	C25	C26	H26	179.0°	90.0°
C25	C24	C23	H27	178.7°	90.0°
N6	C22	C26	C25	0.2°	90.0°
N6	C22	C26	C21	178.9°	90.0°
N6	C22	C21	C20	53.1°	90.0°
C22	N6	CU1	O4	96.0°	90.0°
C22	N6	CU1	O3	135.6°	90.0°
N6	C22	C26	H26	179.8°	90.0°
C22	N6	C23	H27	179.9°	90.0°
N6	C22	C21	H29	172.5°	90.0°
N6	C22	C21	H30	66.3°	90.0°
C14	C13	N4	C12	52.1°	90.0°
C14	C13	N4	H16	122.2°	90.0°
C14	C13	N4	H17	122.2°	90.0°
C14	C13	N4	C20	176.6°	90.0°
C14	C13	H16	H17	112.6°	90.0°
C13	C14	H18	H19	113.5°	90.0°
C25	C26	C22	H26	180.0°	90.0°
C25	C26	C22	C21	179.1°	90.0°
C26	C25	C24	H28	178.1°	90.0°
C26	C22	C21	C20	125.9°	90.0°
C22	C26	C25	H25	179.0°	90.0°
C26	C22	C21	H29	6.5°	90.0°
C26	C22	C21	H30	114.7°	90.0°
C22	C21	C20	N4	72.4°	90.0°
C22	C21	C20	H29	119.4°	90.0°
C22	C21	C20	H30	119.4°	90.0°
C22	C21	C20	H23	166.4°	90.0°
C22	C21	C20	H24	48.9°	90.0°
C21	C22	C26	H26	0.9°	90.0°
C22	C21	H29	H30	121.9°	90.0°
C12	N4	C13	C20	124.6°	90.0°
N4	C12	C11	H32	120.3°	90.0°
N4	C12	C11	H33	120.3°	90.0°
C12	N4	C20	C21	154.5°	90.0°
N4	C12	C11	N3	174.9°	90.0°
C12	N4	CU1	O4	158.9°	90.0°
C12	N4	CU1	O3	18.8°	90.0°
N4	C12	C11	H14	63.6°	90.0°
N4	C12	C11	H15	53.5°	90.0°
C12	N4	C13	H16	174.3°	90.0°
C12	N4	C13	H17	70.2°	90.0°
C12	N4	C20	H23	84.2°	90.0°
C12	N4	C20	H24	33.3°	90.0°
N4	C12	H32	H33	119.1°	90.0°
C13	N4	C12	C11	69.6°	90.0°
C13	N4	C20	C21	87.0°	90.0°
C13	N4	CU1	O4	48.5°	90.0°
C13	N4	CU1	O3	129.2°	90.0°
N4	C13	H16	H17	112.6°	90.0°
N4	C13	C14	H18	153.4°	90.0°
N4	C13	C14	H19	90.6°	90.0°
C13	N4	C20	H23	34.3°	90.0°
C13	N4	C20	H24	151.8°	90.0°
C13	N4	C12	H32	50.7°	90.0°
C13	N4	C12	H33	170.1°	90.0°
C20	N4	C12	C11	47.4°	90.0°
N4	C20	C21	H23	121.2°	90.0°
N4	C20	C21	H24	121.3°	90.0°
C20	N4	CU1	O4	70.7°	90.0°
C20	N4	CU1	O3	111.6°	90.0°
C20	N4	C13	H16	61.2°	90.0°
C20	N4	C13	H17	54.4°	90.0°
N4	C20	H23	H24	116.0°	90.0°
N4	C20	C21	H29	168.2°	90.0°
N4	C20	C21	H30	47.0°	90.0°
C20	N4	C12	H32	167.7°	90.0°
C20	N4	C12	H33	72.9°	90.0°
C12	C11	N3	C10	83.4°	90.0°
C12	C11	N3	H14	121.4°	90.0°
C12	C11	N3	H15	121.4°	90.0°
C12	C11	H14	H15	115.4°	90.0°
C11	C12	H32	H33	119.0°	90.0°
C12	C11	N3	H34	96.6°	90.0°
C21	C20	H23	H24	116.0°	90.0°
C20	C21	H29	H30	121.9°	90.0°
O2	C10	N3	C9	174.6°	90.0°
O2	C10	N3	C11	6.5°	90.0°
O2	C10	C9	C8	43.6°	90.0°
O2	C10	C9	H12	76.8°	90.0°
O2	C10	C9	H13	164.0°	90.0°
O2	C10	N3	H34	173.5°	90.0°
C10	N3	C11	H34	180.0°	90.0°
N3	C10	C9	C8	131.1°	90.0°
N3	C10	C9	H12	108.5°	90.0°
N3	C10	C9	H13	10.7°	90.0°
C10	N3	C11	H14	155.2°	90.0°
C10	N3	C11	H15	38.1°	90.0°
C9	C10	N3	C11	168.1°	90.0°
C10	C9	C8	H12	120.4°	90.0°
C10	C9	C8	H13	120.4°	90.0°
C10	C9	C8	C7	57.8°	90.0°
C10	C9	C8	H10	62.5°	90.0°
C10	C9	C8	H11	178.1°	90.0°
C10	C9	H12	H13	118.8°	90.0°
C9	C10	N3	H34	11.9°	90.0°
N3	C11	H14	H15	115.4°	90.0°
N3	C11	C12	H32	54.6°	90.0°
N3	C11	C12	H33	64.7°	90.0°
C9	C8	C7	H10	120.3°	90.0°
C9	C8	C7	H11	120.3°	90.0°
C9	C8	C7	C6	178.3°	90.0°
C9	C8	C7	H8	61.7°	90.0°
C9	C8	C7	H9	58.3°	90.0°
C9	C8	H10	H11	119.1°	90.0°
C8	C9	H12	H13	118.8°	90.0°
C8	C7	C6	H8	120.0°	90.0°
C8	C7	C6	H9	120.0°	90.0°
C8	C7	C6	C5	176.0°	90.0°
C8	C7	C6	H6	63.0°	90.0°
C8	C7	C6	H7	55.0°	90.0°
C8	C7	H8	H9	120.1°	90.0°
C7	C8	H10	H11	119.2°	90.0°
C7	C8	C9	H12	178.2°	90.0°
C7	C8	C9	H13	62.6°	90.0°
C7	C6	C5	H6	121.0°	90.0°
C7	C6	C5	H7	121.0°	90.0°
C7	C6	C5	C4	167.6°	90.0°
C7	C6	C5	S1	72.6°	90.0°
C7	C6	C5	H5	44.4°	90.0°
C7	C6	H6	H7	116.9°	90.0°
C6	C7	H8	H9	120.0°	90.0°
C6	C7	C8	H10	58.0°	90.0°
C6	C7	C8	H11	61.4°	90.0°
C6	C5	C4	S1	123.9°	90.0°
C6	C5	C4	H5	122.8°	90.0°
C6	C5	S1	H5	118.6°	90.0°
C6	C5	C4	N2	46.1°	90.0°
C6	C5	C4	C2	163.3°	90.0°
C6	C5	S1	C3	173.6°	90.0°
C6	C5	C4	H4	78.8°	90.0°
C5	C6	H6	H7	116.9°	90.0°
C5	C6	C7	H8	56.0°	90.0°
C5	C6	C7	H9	64.0°	90.0°
C4	C5	S1	H5	115.8°	90.0°
C5	C4	N2	C2	119.1°	90.0°
C5	C4	N2	H4	124.3°	90.0°
C5	C4	N2	C1	122.4°	90.0°
C5	C4	C2	H4	118.4°	90.0°
C4	C5	S1	C3	48.0°	90.0°
C5	C4	C2	C3	8.5°	90.0°
C5	C4	C2	N1	120.3°	90.0°
C5	C4	C2	H1	115.8°	90.0°
C4	C5	C6	H6	46.6°	90.0°
C4	C5	C6	H7	71.4°	90.0°
C5	C4	N2	H35	57.6°	90.0°
S1	C5	C4	N2	77.8°	90.0°
S1	C5	C4	C2	39.4°	90.0°
C5	S1	C3	C2	42.5°	90.0°
C5	S1	C3	H2	162.0°	90.0°
C5	S1	C3	H3	77.0°	90.0°
S1	C5	C4	H4	157.4°	90.0°
S1	C5	C6	H6	166.4°	90.0°
S1	C5	C6	H7	48.4°	90.0°
C4	N2	C1	H35	180.0°	90.0°
N2	C4	C2	H4	117.8°	90.0°
C4	N2	C1	O1	172.0°	90.0°
C4	N2	C1	N1	9.1°	90.0°
N2	C4	C2	C3	115.3°	90.0°
N2	C4	C2	N1	3.5°	90.0°
N2	C4	C2	H1	120.4°	90.0°
N2	C4	C5	H5	168.9°	90.0°
C1	N2	C4	C2	3.3°	90.0°
N2	C1	O1	N1	159.4°	90.0°
N2	C1	N1	C2	11.8°	90.0°
C1	N2	C4	H4	113.3°	90.0°
N2	C1	N1	H36	168.2°	90.0°
C4	C2	C3	S1	26.3°	90.0°
C4	C2	N1	C1	9.3°	90.0°
C4	C2	C3	N1	109.0°	90.0°
C4	C2	C3	H1	124.4°	90.0°
C4	C2	N1	H1	122.6°	90.0°
C4	C2	C3	H2	145.8°	90.0°
C4	C2	C3	H3	93.2°	90.0°
C2	C4	C5	H5	74.0°	90.0°
C2	C4	N2	H35	176.7°	90.0°
C4	C2	N1	H36	170.7°	90.0°
S1	C3	C2	H2	119.5°	90.0°
S1	C3	C2	H3	119.5°	90.0°
S1	C3	C2	N1	82.7°	90.0°
S1	C3	C2	H1	150.7°	90.0°
S1	C3	H2	H3	121.5°	90.0°
C3	S1	C5	H5	67.8°	90.0°
O1	C1	N1	C2	173.7°	90.0°
O1	C1	N2	H35	7.9°	90.0°
O1	C1	N1	H36	6.3°	90.0°
C1	N1	C2	C3	121.5°	90.0°
C1	N1	C2	H36	180.0°	90.0°
C1	N1	C2	H1	113.3°	90.0°
N1	C1	N2	H35	170.9°	90.0°
C3	C2	N1	H1	125.2°	90.0°
C2	C3	H2	H3	121.5°	90.0°
C3	C2	C4	H4	126.9°	90.0°
C3	C2	N1	H36	58.4°	90.0°
N1	C2	C3	H2	36.8°	90.0°
N1	C2	C3	H3	157.8°	90.0°
N1	C2	C4	H4	121.3°	90.0°
H1	C2	C3	H2	89.8°	90.0°
H1	C2	C3	H3	31.2°	90.0°
H1	C2	C4	H4	2.6°	90.0°
H1	C2	N1	H36	66.7°	90.0°
H4	C4	C5	H5	44.0°	90.0°
H4	C4	N2	H35	66.7°	90.0°
H5	C5	C6	H6	76.6°	90.0°
H5	C5	C6	H7	165.4°	90.0°
H6	C6	C7	H8	177.0°	90.0°
H6	C6	C7	H9	57.0°	90.0°
H7	C6	C7	H8	65.0°	90.0°
H7	C6	C7	H9	175.0°	90.0°
H8	C7	C8	H10	178.0°	90.0°
H8	C7	C8	H11	58.5°	90.0°
H9	C7	C8	H10	62.0°	90.0°
H9	C7	C8	H11	178.6°	90.0°
H10	C8	C9	H12	57.9°	90.0°
H10	C8	C9	H13	177.1°	90.0°
H11	C8	C9	H12	61.6°	90.0°
H11	C8	C9	H13	57.7°	90.0°
H14	C11	C12	H32	176.0°	90.0°
H14	C11	C12	H33	56.7°	90.0°
H14	C11	N3	H34	24.8°	90.0°
H15	C11	C12	H32	66.8°	90.0°
H15	C11	C12	H33	173.8°	90.0°
H15	C11	N3	H34	141.9°	90.0°
H16	C13	C14	H18	31.2°	90.0°
H16	C13	C14	H19	147.2°	90.0°
H17	C13	C14	H18	84.4°	90.0°
H17	C13	C14	H19	31.7°	90.0°
H20	C16	C17	H21	0.9°	90.0°
H21	C17	C18	H31	0.7°	90.0°
H22	C19	C18	H31	1.0°	90.0°
H23	C20	C21	H29	47.0°	90.0°
H23	C20	C21	H30	74.3°	90.0°
H24	C20	C21	H29	70.5°	90.0°
H24	C20	C21	H30	168.2°	90.0°
H25	C25	C26	H26	1.0°	90.0°
H25	C25	C24	H28	1.9°	90.0°
H27	C23	C24	H28	1.3°	90.0°

Release date:	2016-07-20
Definition date:	2016-05-23
Last modified:	2016-07-15
Release status:	REL
Processing site:	EBI
Derived from:	5K49