9CO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C27	C28	doub	0.00Å	1.32Å	Aromatic
C27	C26	sing	0.00Å	1.33Å	Aromatic
C28	C29	sing	0.00Å	1.33Å	Aromatic
C26	C25	doub	0.00Å	1.35Å	Aromatic
C29	N7	doub	0.00Å	1.34Å	Aromatic
C25	N7	sing	0.00Å	1.32Å	Aromatic
C25	C24	sing	0.00Å	1.33Å
N7	CO1	sing	0.00Å	2.32Å
C23	C24	doub	0.00Å	1.31Å	Aromatic
C23	C22	sing	0.00Å	1.32Å	Aromatic
C24	N8	sing	0.00Å	1.31Å	Aromatic
C22	C21	doub	0.00Å	1.33Å	Aromatic
N8	CO1	sing	0.00Å	2.13Å
N8	C20	doub	0.00Å	1.32Å	Aromatic
CO1	N4	sing	0.00Å	2.26Å
CO1	N6	sing	0.00Å	2.21Å
CO1	N5	sing	0.00Å	2.39Å
C39	C38	doub	0.00Å	1.30Å	Aromatic
C39	N6	sing	0.00Å	1.33Å	Aromatic
C21	C20	sing	0.00Å	1.33Å	Aromatic
C14	N4	doub	0.00Å	1.37Å	Aromatic
C14	C15	sing	0.00Å	1.36Å	Aromatic
C20	C19	sing	0.00Å	1.47Å
C38	C37	sing	0.00Å	1.31Å	Aromatic
N4	C18	sing	0.00Å	1.36Å	Aromatic
N6	C35	doub	0.00Å	1.33Å	Aromatic
C15	C16	doub	0.00Å	1.34Å	Aromatic
C18	C19	sing	0.00Å	1.47Å
C18	C17	doub	0.00Å	1.39Å	Aromatic
C19	O3	sing	0.00Å	1.48Å
C19	C30	sing	0.00Å	1.49Å
C16	C17	sing	0.00Å	1.35Å	Aromatic
C13	C12	sing	0.00Å	1.54Å
C13	O3	sing	0.00Å	1.45Å
C37	C36	doub	0.00Å	1.35Å	Aromatic
C35	C36	sing	0.00Å	1.31Å	Aromatic
C35	C34	sing	0.00Å	1.49Å
N5	C30	doub	0.00Å	1.36Å	Aromatic
N5	C34	sing	0.00Å	1.31Å	Aromatic
C12	C11	sing	0.00Å	1.48Å
C30	C31	sing	0.00Å	1.37Å	Aromatic
C34	C33	doub	0.00Å	1.37Å	Aromatic
O2	C10	doub	0.00Å	1.30Å
C11	N3	sing	0.00Å	1.51Å
C10	N3	sing	0.00Å	1.38Å
C10	C9	sing	0.00Å	1.48Å
C31	C32	doub	0.00Å	1.37Å	Aromatic
C33	C32	sing	0.00Å	1.34Å	Aromatic
C9	C8	sing	0.00Å	1.57Å
C8	C7	sing	0.00Å	1.55Å
C7	C6	sing	0.00Å	1.52Å
C6	C4	sing	0.00Å	1.56Å
C4	C3	sing	0.00Å	1.55Å
C4	S1	sing	0.00Å	1.81Å
N2	C3	sing	0.00Å	1.46Å
N2	C1	sing	0.00Å	1.39Å
C3	C2	sing	0.00Å	1.58Å
S1	C5	sing	0.00Å	1.83Å
C1	O1	doub	0.00Å	1.31Å
C1	N1	sing	0.00Å	1.34Å
C2	C5	sing	0.00Å	1.54Å
C2	N1	sing	0.00Å	1.51Å
CO1	O4	sing	0.00Å	2.51Å
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
C4	H9	sing	0.00Å	1.10Å
C5	H10	sing	0.00Å	1.10Å
C5	H11	sing	0.00Å	1.10Å
C2	H12	sing	0.00Å	1.10Å
N1	H13	sing	0.00Å	1.00Å
N2	H14	sing	0.00Å	1.00Å
C3	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
C12	H19	sing	0.00Å	1.10Å
C12	H20	sing	0.00Å	1.10Å
C13	H21	sing	0.00Å	1.10Å
C13	H22	sing	0.00Å	1.10Å
C14	H23	sing	0.00Å	1.08Å
C15	H24	sing	0.00Å	1.08Å
C16	H25	sing	0.00Å	1.08Å
C17	H26	sing	0.00Å	1.08Å
C21	H27	sing	0.00Å	1.08Å
C22	H28	sing	0.00Å	1.08Å
C23	H29	sing	0.00Å	1.08Å
C26	H30	sing	0.00Å	1.08Å
C27	H31	sing	0.00Å	1.08Å
C28	H32	sing	0.00Å	1.08Å
C29	H33	sing	0.00Å	1.08Å
C31	H34	sing	0.00Å	1.08Å
C32	H35	sing	0.00Å	1.08Å
C33	H36	sing	0.00Å	1.08Å
C36	H37	sing	0.00Å	1.08Å
C37	H38	sing	0.00Å	1.08Å
C38	H39	sing	0.00Å	1.08Å
C39	H40	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C28	C27	C26	119.9°	90.0°
C27	C28	C29	116.8°	90.0°
C28	C27	H31	120.0°	90.0°
C27	C28	H32	121.6°	90.0°
C27	C26	C25	124.3°	90.0°
C27	C26	H30	117.9°	90.0°
C26	C27	H31	120.0°	90.0°
C28	C29	N7	123.1°	90.0°
C29	C28	H32	121.6°	90.0°
C28	C29	H33	118.5°	90.0°
C26	C25	N7	115.0°	90.0°
C26	C25	C24	122.7°	90.0°
C25	C26	H30	117.9°	90.0°
C29	N7	C25	120.9°	90.0°
C29	N7	CO1	130.7°	90.0°
N7	C29	H33	118.5°	90.0°
N7	C25	C24	122.3°	90.0°
C25	N7	CO1	108.4°	90.0°
C25	C24	C23	123.5°	90.0°
C25	C24	N8	118.9°	90.0°
N7	CO1	N8	73.3°	90.0°
N7	CO1	N4	150.3°	90.0°
N7	CO1	N6	95.7°	90.0°
N7	CO1	N5	125.6°	90.0°
N7	CO1	O4	72.3°	90.0°
C24	C23	C22	118.7°	90.0°
C23	C24	N8	117.6°	90.0°
C24	C23	H29	120.7°	90.0°
C23	C22	C21	121.8°	90.0°
C23	C22	H28	119.1°	90.0°
C22	C23	H29	120.6°	90.0°
C24	N8	CO1	117.1°	90.0°
C24	N8	C20	127.1°	90.0°
C22	C21	C20	120.8°	90.0°
C22	C21	H27	119.6°	90.0°
C21	C22	H28	119.1°	90.0°
CO1	N8	C20	115.9°	90.0°
N8	CO1	N4	93.2°	90.0°
N8	CO1	N6	138.3°	90.0°
N8	CO1	N5	81.5°	90.0°
N8	CO1	O4	105.9°	90.0°
N8	C20	C21	113.8°	90.0°
N8	C20	C19	124.2°	90.0°
N4	CO1	N6	111.2°	90.0°
N4	CO1	N5	76.4°	90.0°
CO1	N4	C14	125.6°	90.0°
CO1	N4	C18	111.2°	90.0°
N4	CO1	O4	86.8°	90.0°
N6	CO1	N5	72.7°	90.0°
CO1	N6	C39	117.1°	90.0°
CO1	N6	C35	115.1°	90.0°
N6	CO1	O4	108.7°	90.0°
CO1	N5	C30	117.0°	90.0°
CO1	N5	C34	115.1°	90.0°
N5	CO1	O4	162.1°	90.0°
C38	C39	N6	120.1°	90.0°
C39	C38	C37	115.0°	90.0°
C39	C38	H39	122.5°	90.0°
C38	C39	H40	120.0°	90.0°
C39	N6	C35	127.7°	90.0°
N6	C39	H40	119.9°	90.0°
C21	C20	C19	120.9°	90.0°
C20	C21	H27	119.6°	90.0°
N4	C14	C15	122.0°	90.0°
C14	N4	C18	123.2°	90.0°
N4	C14	H23	119.0°	90.0°
C14	C15	C16	118.4°	90.0°
C15	C14	H23	119.0°	90.0°
C14	C15	H24	120.8°	90.0°
C20	C19	C18	117.8°	90.0°
C20	C19	O3	112.4°	90.0°
C20	C19	C30	111.2°	90.0°
C38	C37	C36	122.5°	90.0°
C38	C37	H38	118.8°	90.0°
C37	C38	H39	122.5°	90.0°
N4	C18	C19	125.6°	90.0°
N4	C18	C17	110.5°	90.0°
N6	C35	C36	109.0°	90.0°
N6	C35	C34	122.8°	90.0°
C15	C16	C17	117.4°	90.0°
C16	C15	H24	120.8°	90.0°
C15	C16	H25	121.3°	90.0°
C19	C18	C17	123.8°	90.0°
C18	C19	O3	112.2°	90.0°
C18	C19	C30	105.3°	90.0°
C18	C17	C16	128.6°	90.0°
C18	C17	H26	115.7°	90.0°
O3	C19	C30	95.4°	90.0°
C19	O3	C13	106.7°	90.0°
C19	C30	N5	114.7°	90.0°
C19	C30	C31	129.2°	90.0°
C17	C16	H25	121.3°	90.0°
C16	C17	H26	115.7°	90.0°
C12	C13	O3	109.8°	90.0°
C13	C12	C11	105.9°	90.0°
C13	C12	H19	110.3°	90.0°
C13	C12	H20	110.4°	90.0°
C12	C13	H21	109.4°	90.0°
C12	C13	H22	109.4°	90.0°
O3	C13	H21	109.4°	90.0°
O3	C13	H22	109.4°	90.0°
C37	C36	C35	124.8°	90.0°
C37	C36	H37	117.6°	90.0°
C36	C37	H38	118.7°	90.0°
C36	C35	C34	126.1°	90.0°
C35	C36	H37	117.6°	90.0°
C35	C34	N5	113.1°	90.0°
C35	C34	C33	132.1°	90.0°
C30	N5	C34	127.9°	90.0°
N5	C30	C31	115.9°	90.0°
N5	C34	C33	114.4°	90.0°
C12	C11	N3	102.3°	90.0°
C12	C11	H17	111.2°	90.0°
C12	C11	H18	111.2°	90.0°
C11	C12	H19	110.4°	90.0°
C11	C12	H20	110.3°	90.0°
C30	C31	C32	118.8°	90.0°
C30	C31	H34	120.6°	90.0°
C34	C33	C32	122.1°	90.0°
C34	C33	H36	119.0°	90.0°
O2	C10	N3	124.0°	90.0°
O2	C10	C9	122.3°	90.0°
C11	N3	C10	116.9°	90.0°
C11	N3	H16	121.6°	90.0°
N3	C11	H17	111.2°	90.0°
N3	C11	H18	111.2°	90.0°
N3	C10	C9	113.8°	90.0°
C10	N3	H16	121.5°	90.0°
C10	C9	C8	109.5°	90.0°
C10	C9	H1	109.5°	90.0°
C10	C9	H2	109.5°	90.0°
C31	C32	C33	120.8°	90.0°
C32	C31	H34	120.6°	90.0°
C31	C32	H35	119.6°	90.0°
C33	C32	H35	119.6°	90.0°
C32	C33	H36	118.9°	90.0°
C9	C8	C7	111.1°	90.0°
C8	C9	H1	109.5°	90.0°
C8	C9	H2	109.5°	90.0°
C9	C8	H3	109.1°	90.0°
C9	C8	H4	109.1°	90.0°
C8	C7	C6	107.4°	90.0°
C7	C8	H3	109.1°	90.0°
C7	C8	H4	109.1°	90.0°
C8	C7	H5	110.0°	90.0°
C8	C7	H6	110.0°	90.0°
C7	C6	C4	115.6°	90.0°
C6	C7	H5	110.0°	90.0°
C6	C7	H6	110.0°	90.0°
C7	C6	H7	107.9°	90.0°
C7	C6	H8	107.9°	90.0°
C6	C4	C3	117.6°	90.0°
C6	C4	S1	114.3°	90.0°
C4	C6	H7	107.9°	90.0°
C4	C6	H8	107.9°	90.0°
C6	C4	H9	106.8°	90.0°
C3	C4	S1	106.0°	90.0°
C4	C3	N2	110.4°	90.0°
C4	C3	C2	105.7°	90.0°
C3	C4	H9	106.8°	90.0°
C4	C3	H15	111.6°	90.0°
C4	S1	C5	90.4°	90.0°
S1	C4	H9	104.4°	90.0°
C3	N2	C1	107.3°	90.0°
N2	C3	C2	104.6°	90.0°
C3	N2	H14	126.4°	90.0°
N2	C3	H15	113.0°	90.0°
N2	C1	O1	121.0°	90.0°
N2	C1	N1	117.2°	90.0°
C1	N2	H14	126.3°	90.0°
C3	C2	C5	112.2°	90.0°
C3	C2	N1	104.2°	90.0°
C3	C2	H12	108.3°	90.0°
C2	C3	H15	111.1°	90.0°
S1	C5	C2	102.5°	90.0°
S1	C5	H10	111.2°	90.0°
S1	C5	H11	111.2°	90.0°
O1	C1	N1	121.8°	90.0°
C1	N1	C2	106.2°	90.0°
C1	N1	H13	126.8°	90.0°
C5	C2	N1	113.9°	90.0°
C2	C5	H10	111.2°	90.0°
C2	C5	H11	111.2°	90.0°
C5	C2	H12	108.9°	90.0°
N1	C2	H12	109.2°	90.0°
C2	N1	H13	126.9°	90.0°
H1	C9	H2	109.5°	90.0°
H3	C8	H4	109.4°	90.0°
H5	C7	H6	109.5°	90.0°
H7	C6	H8	109.5°	90.0°
H10	C5	H11	109.4°	90.0°
H17	C11	H18	109.5°	90.0°
H19	C12	H20	109.5°	90.0°
H21	C13	H22	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C28	C27	C26	H31	180.0°	90.0°
C27	C28	C29	H32	180.0°	90.0°
C28	C27	C26	C25	0.2°	90.0°
C27	C28	C29	N7	0.0°	90.0°
C28	C27	C26	H30	179.9°	90.0°
C27	C28	C29	H33	180.0°	90.0°
C26	C27	C28	C29	0.6°	90.0°
C27	C26	C25	H30	180.0°	90.0°
C27	C26	C25	N7	1.4°	90.0°
C27	C26	C25	C24	177.2°	90.0°
C26	C27	C28	H32	179.4°	90.0°
C28	C29	N7	H33	180.0°	90.0°
C28	C29	N7	C25	1.2°	90.0°
C28	C29	N7	CO1	179.3°	90.0°
C29	C28	C27	H31	179.4°	90.0°
C26	C25	N7	C29	1.8°	90.0°
C26	C25	N7	C24	178.6°	90.0°
C26	C25	N7	CO1	179.8°	90.0°
C26	C25	C24	C23	0.2°	90.0°
C26	C25	C24	N8	178.8°	90.0°
C25	C26	C27	H31	179.8°	90.0°
C29	N7	C25	CO1	178.4°	90.0°
C29	N7	C25	C24	176.7°	90.0°
C29	N7	CO1	N8	176.5°	90.0°
C29	N7	CO1	N4	117.6°	90.0°
C29	N7	CO1	N6	37.6°	90.0°
C29	N7	CO1	N5	110.3°	90.0°
C29	N7	CO1	O4	70.2°	90.0°
N7	C29	C28	H32	180.0°	90.0°
N7	C25	C24	C23	178.6°	90.0°
N7	C25	C24	N8	0.3°	90.0°
C25	N7	CO1	N8	1.7°	90.0°
C25	N7	CO1	N4	64.2°	90.0°
C25	N7	CO1	N6	140.6°	90.0°
C25	N7	CO1	N5	67.9°	90.0°
C25	N7	CO1	O4	111.6°	90.0°
N7	C25	C26	H30	178.7°	90.0°
C25	N7	C29	H33	178.7°	90.0°
C24	C25	N7	CO1	1.7°	90.0°
C25	C24	C23	N8	179.0°	90.0°
C25	C24	C23	C22	175.5°	90.0°
C25	C24	N8	CO1	1.5°	90.0°
C25	C24	N8	C20	177.9°	90.0°
C25	C24	C23	H29	4.5°	90.0°
C24	C25	C26	H30	2.8°	90.0°
N7	CO1	N8	C24	1.7°	90.0°
N7	CO1	N8	N4	153.1°	90.0°
N7	CO1	N8	N6	79.5°	90.0°
N7	CO1	N8	N5	131.2°	90.0°
N7	CO1	N8	O4	65.4°	90.0°
N7	CO1	N8	C20	177.7°	90.0°
N7	CO1	N4	N6	153.4°	90.0°
N7	CO1	N4	N5	141.6°	90.0°
N7	CO1	N4	O4	44.6°	90.0°
N7	CO1	N6	N5	125.6°	90.0°
N7	CO1	N6	O4	73.2°	90.0°
N7	CO1	N5	O4	178.4°	90.0°
N7	CO1	N6	C39	59.2°	90.0°
N7	CO1	N4	C14	86.2°	90.0°
N7	CO1	N4	C18	92.7°	90.0°
N7	CO1	N6	C35	116.2°	90.0°
N7	CO1	N5	C30	103.5°	90.0°
N7	CO1	N5	C34	75.2°	90.0°
CO1	N7	C29	H33	0.7°	90.0°
C24	C23	C22	H29	180.0°	90.0°
C24	C23	C22	C21	1.6°	90.0°
C23	C24	N8	CO1	179.5°	90.0°
C23	C24	N8	C20	1.1°	90.0°
C24	C23	C22	H28	178.4°	90.0°
C22	C23	C24	N8	3.4°	90.0°
C23	C22	C21	H28	180.0°	90.0°
C23	C22	C21	C20	2.9°	90.0°
C23	C22	C21	H27	177.1°	90.0°
C24	N8	CO1	C20	179.4°	90.0°
C24	N8	CO1	N4	151.4°	90.0°
C24	N8	CO1	N6	81.2°	90.0°
C24	N8	CO1	N5	132.9°	90.0°
C24	N8	C20	C21	3.1°	90.0°
C24	N8	C20	C19	171.3°	90.0°
C24	N8	CO1	O4	63.8°	90.0°
N8	C24	C23	H29	176.6°	90.0°
C22	C21	C20	N8	4.9°	90.0°
C22	C21	C20	H27	180.0°	90.0°
C22	C21	C20	C19	173.5°	90.0°
C21	C22	C23	H29	178.4°	90.0°
N8	CO1	N4	N6	145.5°	90.0°
N8	CO1	N4	N5	80.5°	90.0°
N8	CO1	N4	O4	105.7°	90.0°
N8	CO1	N6	N5	54.4°	90.0°
N8	CO1	N6	O4	144.4°	90.0°
N8	CO1	N5	O4	116.0°	90.0°
N8	CO1	N6	C39	130.4°	90.0°
CO1	N8	C20	C21	176.3°	90.0°
N8	CO1	N4	C14	147.4°	90.0°
CO1	N8	C20	C19	8.1°	90.0°
N8	CO1	N4	C18	31.6°	90.0°
N8	CO1	N6	C35	45.0°	90.0°
N8	CO1	N5	C30	41.1°	90.0°
N8	CO1	N5	C34	137.5°	90.0°
C20	N8	CO1	N4	29.2°	90.0°
C20	N8	CO1	N6	98.2°	90.0°
C20	N8	CO1	N5	46.5°	90.0°
N8	C20	C21	C19	168.6°	90.0°
N8	C20	C19	C18	58.3°	90.0°
N8	C20	C19	O3	168.8°	90.0°
N8	C20	C19	C30	63.2°	90.0°
C20	N8	CO1	O4	116.8°	90.0°
N8	C20	C21	H27	175.1°	90.0°
N4	CO1	N6	N5	67.3°	90.0°
N4	CO1	N6	O4	93.9°	90.0°
N4	CO1	N5	O4	20.6°	90.0°
N4	CO1	N6	C39	107.9°	90.0°
CO1	N4	C14	C18	178.8°	90.0°
CO1	N4	C14	C15	179.5°	90.0°
N4	CO1	N6	C35	76.7°	90.0°
CO1	N4	C18	C19	2.3°	90.0°
CO1	N4	C18	C17	179.3°	90.0°
N4	CO1	N5	C30	54.3°	90.0°
N4	CO1	N5	C34	127.1°	90.0°
CO1	N4	C14	H23	0.5°	90.0°
N6	CO1	N5	O4	97.2°	90.0°
CO1	N6	C39	C38	179.1°	90.0°
CO1	N6	C39	C35	174.8°	90.0°
N6	CO1	N4	C14	67.2°	90.0°
N6	CO1	N4	C18	113.9°	90.0°
CO1	N6	C35	C36	174.3°	90.0°
CO1	N6	C35	C34	9.8°	90.0°
N6	CO1	N5	C30	172.0°	90.0°
N6	CO1	N5	C34	9.3°	90.0°
CO1	N6	C39	H40	0.8°	90.0°
N5	CO1	N6	C39	175.2°	90.0°
N5	CO1	N4	C14	132.1°	90.0°
N5	CO1	N4	C18	48.9°	90.0°
N5	CO1	N6	C35	9.4°	90.0°
CO1	N5	C30	C19	5.7°	90.0°
CO1	N5	C34	C35	7.4°	90.0°
CO1	N5	C30	C34	178.5°	90.0°
CO1	N5	C30	C31	179.1°	90.0°
CO1	N5	C34	C33	179.2°	90.0°
C38	C39	N6	H40	180.0°	90.0°
C39	C38	C37	H39	180.0°	90.0°
C38	C39	N6	C35	6.1°	90.0°
C39	C38	C37	C36	0.6°	90.0°
C39	C38	C37	H38	179.4°	90.0°
N6	C39	C38	C37	0.1°	90.0°
C39	N6	C35	C36	10.8°	90.0°
C39	N6	C35	C34	175.3°	90.0°
C39	N6	CO1	O4	13.9°	90.0°
N6	C39	C38	H39	179.8°	90.0°
C21	C20	C19	C18	134.3°	90.0°
C21	C20	C19	O3	1.4°	90.0°
C21	C20	C19	C30	104.1°	90.0°
C20	C21	C22	H28	177.2°	90.0°
N4	C14	C15	H23	180.0°	90.0°
N4	C14	C15	C16	1.0°	90.0°
C14	N4	C18	C19	178.7°	90.0°
C14	N4	C18	C17	0.3°	90.0°
C14	N4	CO1	O4	41.6°	90.0°
N4	C14	C15	H24	179.0°	90.0°
C15	C14	N4	C18	0.7°	90.0°
C14	C15	C16	H24	180.0°	90.0°
C14	C15	C16	C17	1.0°	90.0°
C14	C15	C16	H25	179.0°	90.0°
C20	C19	C18	N4	53.4°	90.0°
C20	C19	C18	O3	132.9°	90.0°
C20	C19	C18	C30	124.6°	90.0°
C20	C19	C18	C17	128.4°	90.0°
C20	C19	O3	C30	115.6°	90.0°
C20	C19	O3	C13	53.0°	90.0°
C20	C19	C30	N5	65.6°	90.0°
C20	C19	C30	C31	119.9°	90.0°
C19	C20	C21	H27	6.5°	90.0°
C38	C37	C36	H38	180.0°	90.0°
C38	C37	C36	C35	6.9°	90.0°
C38	C37	C36	H37	173.1°	90.0°
C37	C38	C39	H40	179.9°	90.0°
N4	C18	C19	C17	178.2°	90.0°
N4	C18	C19	O3	173.7°	90.0°
N4	C18	C19	C30	71.2°	90.0°
N4	C18	C17	C16	0.4°	90.0°
C18	N4	CO1	O4	137.3°	90.0°
C18	N4	C14	H23	179.3°	90.0°
N4	C18	C17	H26	179.6°	90.0°
N6	C35	C36	C37	10.9°	90.0°
N6	C35	C36	C34	163.9°	90.0°
N6	C35	C34	N5	1.2°	90.0°
N6	C35	C34	C33	170.8°	90.0°
C35	N6	CO1	O4	170.6°	90.0°
N6	C35	C36	H37	169.1°	90.0°
C35	N6	C39	H40	174.0°	90.0°
C15	C16	C17	C18	0.8°	90.0°
C15	C16	C17	H25	180.0°	90.0°
C16	C15	C14	H23	179.0°	90.0°
C15	C16	C17	H26	179.2°	90.0°
C18	C19	O3	C30	108.9°	90.0°
C19	C18	C17	C16	178.8°	90.0°
C18	C19	O3	C13	82.5°	90.0°
C18	C19	C30	N5	63.0°	90.0°
C18	C19	C30	C31	111.5°	90.0°
C19	C18	C17	H26	1.2°	90.0°
C17	C18	C19	O3	4.5°	90.0°
C17	C18	C19	C30	107.0°	90.0°
C18	C17	C16	H26	180.0°	90.0°
C18	C17	C16	H25	179.2°	90.0°
C19	O3	C13	C12	133.5°	90.0°
O3	C19	C30	N5	177.8°	90.0°
O3	C19	C30	C31	3.3°	90.0°
C19	O3	C13	H21	13.5°	90.0°
C19	O3	C13	H22	106.4°	90.0°
C30	C19	O3	C13	168.5°	90.0°
C19	C30	N5	C31	175.2°	90.0°
C19	C30	N5	C34	175.8°	90.0°
C19	C30	C31	C32	176.4°	90.0°
C19	C30	C31	H34	3.5°	90.0°
C17	C16	C15	H24	179.0°	90.0°
C12	C13	O3	H21	120.1°	90.0°
C12	C13	O3	H22	120.1°	90.0°
C13	C12	C11	H19	119.4°	90.0°
C13	C12	C11	H20	119.4°	90.0°
C13	C12	C11	N3	159.3°	90.0°
C13	C12	C11	H17	81.8°	90.0°
C13	C12	C11	H18	40.5°	90.0°
C13	C12	H19	H20	121.6°	90.0°
C12	C13	H21	H22	119.8°	90.0°
O3	C13	C12	C11	61.0°	90.0°
O3	C13	C12	H19	179.6°	90.0°
O3	C13	C12	H20	58.5°	90.0°
O3	C13	H21	H22	119.8°	90.0°
C37	C36	C35	H37	180.0°	90.0°
C37	C36	C35	C34	174.8°	90.0°
C36	C37	C38	H39	179.4°	90.0°
C36	C35	C34	N5	163.0°	90.0°
C36	C35	C34	C33	9.0°	90.0°
C35	C36	C37	H38	173.1°	90.0°
C35	C34	N5	C30	174.2°	90.0°
C35	C34	N5	C33	173.5°	90.0°
C35	C34	C33	C32	174.2°	90.0°
C35	C34	C33	H36	5.8°	90.0°
C34	C35	C36	H37	5.2°	90.0°
C30	N5	C34	C33	0.7°	90.0°
N5	C30	C31	C32	2.0°	90.0°
C30	N5	CO1	O4	74.9°	90.0°
N5	C30	C31	H34	178.0°	90.0°
C34	N5	C30	C31	0.6°	90.0°
N5	C34	C33	C32	2.3°	90.0°
C34	N5	CO1	O4	106.5°	90.0°
N5	C34	C33	H36	177.7°	90.0°
C12	C11	N3	H17	118.8°	90.0°
C12	C11	N3	H18	118.9°	90.0°
C12	C11	N3	C10	100.8°	90.0°
C12	C11	N3	H16	79.2°	90.0°
C12	C11	H17	H18	123.3°	90.0°
C11	C12	H19	H20	121.6°	90.0°
C11	C12	C13	H21	179.0°	90.0°
C11	C12	C13	H22	59.1°	90.0°
C30	C31	C32	H34	180.0°	90.0°
C30	C31	C32	C33	3.7°	90.0°
C30	C31	C32	H35	176.3°	90.0°
C34	C33	C32	C31	3.9°	90.0°
C34	C33	C32	H36	180.0°	90.0°
C34	C33	C32	H35	176.1°	90.0°
O2	C10	N3	C11	9.9°	90.0°
O2	C10	N3	C9	178.8°	90.0°
O2	C10	C9	C8	44.4°	90.0°
O2	C10	C9	H1	75.6°	90.0°
O2	C10	C9	H2	164.4°	90.0°
O2	C10	N3	H16	170.1°	90.0°
C11	N3	C10	H16	180.0°	90.0°
C11	N3	C10	C9	171.3°	90.0°
N3	C11	H17	H18	123.3°	90.0°
N3	C11	C12	H19	39.9°	90.0°
N3	C11	C12	H20	81.2°	90.0°
N3	C10	C9	C8	136.7°	90.0°
N3	C10	C9	H1	103.2°	90.0°
N3	C10	C9	H2	16.7°	90.0°
C10	N3	C11	H17	140.4°	90.0°
C10	N3	C11	H18	18.1°	90.0°
C10	C9	C8	H1	120.0°	90.0°
C10	C9	C8	H2	120.0°	90.0°
C10	C9	C8	C7	62.7°	90.0°
C10	C9	H1	H2	120.0°	90.0°
C10	C9	C8	H3	57.6°	90.0°
C10	C9	C8	H4	177.1°	90.0°
C9	C10	N3	H16	8.7°	90.0°
C31	C32	C33	H35	180.0°	90.0°
C31	C32	C33	H36	176.1°	90.0°
C33	C32	C31	H34	176.3°	90.0°
C9	C8	C7	H3	120.3°	90.0°
C9	C8	C7	H4	120.3°	90.0°
C9	C8	C7	C6	178.1°	90.0°
C8	C9	H1	H2	120.0°	90.0°
C9	C8	H3	H4	119.2°	90.0°
C9	C8	C7	H5	62.2°	90.0°
C9	C8	C7	H6	58.4°	90.0°
C8	C7	C6	H5	119.7°	90.0°
C8	C7	C6	H6	119.7°	90.0°
C8	C7	C6	C4	174.5°	90.0°
C7	C8	C9	H1	177.3°	90.0°
C7	C8	C9	H2	57.3°	90.0°
C7	C8	H3	H4	119.2°	90.0°
C8	C7	H5	H6	120.9°	90.0°
C8	C7	C6	H7	64.6°	90.0°
C8	C7	C6	H8	53.6°	90.0°
C7	C6	C4	H7	120.9°	90.0°
C7	C6	C4	H8	120.9°	90.0°
C7	C6	C4	C3	165.2°	90.0°
C7	C6	C4	S1	69.5°	90.0°
C6	C7	C8	H3	57.9°	90.0°
C6	C7	C8	H4	61.6°	90.0°
C6	C7	H5	H6	120.9°	90.0°
C7	C6	H7	H8	117.2°	90.0°
C7	C6	C4	H9	45.3°	90.0°
C6	C4	C3	S1	129.3°	90.0°
C6	C4	C3	H9	119.9°	90.0°
C6	C4	S1	H9	116.2°	90.0°
C6	C4	C3	N2	47.6°	90.0°
C6	C4	C3	C2	160.2°	90.0°
C6	C4	S1	C5	175.2°	90.0°
C4	C6	C7	H5	54.8°	90.0°
C4	C6	C7	H6	65.8°	90.0°
C4	C6	H7	H8	117.2°	90.0°
C6	C4	C3	H15	78.9°	90.0°
C3	C4	S1	H9	112.6°	90.0°
C4	C3	N2	C2	113.2°	90.0°
C4	C3	N2	H15	125.8°	90.0°
C4	C3	N2	C1	117.5°	90.0°
C4	C3	C2	H15	121.2°	90.0°
C3	C4	S1	C5	44.0°	90.0°
C4	C3	C2	C5	0.2°	90.0°
C4	C3	C2	N1	123.4°	90.0°
C3	C4	C6	H7	44.3°	90.0°
C3	C4	C6	H8	73.9°	90.0°
C4	C3	C2	H12	120.4°	90.0°
C4	C3	N2	H14	62.5°	90.0°
S1	C4	C3	N2	81.6°	90.0°
S1	C4	C3	C2	30.9°	90.0°
C4	S1	C5	C2	42.2°	90.0°
S1	C4	C6	H7	169.6°	90.0°
S1	C4	C6	H8	51.4°	90.0°
C4	S1	C5	H10	161.1°	90.0°
C4	S1	C5	H11	76.7°	90.0°
S1	C4	C3	H15	151.8°	90.0°
C3	N2	C1	H14	180.0°	90.0°
N2	C3	C2	H15	122.3°	90.0°
C3	N2	C1	O1	179.8°	90.0°
C3	N2	C1	N1	0.3°	90.0°
N2	C3	C2	C5	116.8°	90.0°
N2	C3	C2	N1	6.8°	90.0°
N2	C3	C4	H9	167.5°	90.0°
N2	C3	C2	H12	123.1°	90.0°
C1	N2	C3	C2	4.3°	90.0°
N2	C1	O1	N1	179.9°	90.0°
N2	C1	N1	C2	5.0°	90.0°
N2	C1	N1	H13	175.0°	90.0°
C1	N2	C3	H15	116.7°	90.0°
C3	C2	C5	S1	30.3°	90.0°
C3	C2	N1	C1	7.1°	90.0°
C3	C2	C5	N1	118.0°	90.0°
C3	C2	C5	H12	119.9°	90.0°
C3	C2	N1	H12	115.6°	90.0°
C2	C3	C4	H9	80.0°	90.0°
C3	C2	C5	H10	149.2°	90.0°
C3	C2	C5	H11	88.6°	90.0°
C3	C2	N1	H13	173.0°	90.0°
C2	C3	N2	H14	175.7°	90.0°
S1	C5	C2	H10	118.9°	90.0°
S1	C5	C2	H11	118.9°	90.0°
S1	C5	C2	N1	87.7°	90.0°
C5	S1	C4	H9	68.6°	90.0°
S1	C5	H10	H11	123.2°	90.0°
S1	C5	C2	H12	150.2°	90.0°
O1	C1	N1	C2	175.1°	90.0°
O1	C1	N1	H13	4.9°	90.0°
O1	C1	N2	H14	0.2°	90.0°
C1	N1	C2	C5	115.4°	90.0°
C1	N1	C2	H13	180.0°	90.0°
C1	N1	C2	H12	122.7°	90.0°
N1	C1	N2	H14	179.7°	90.0°
C5	C2	N1	H12	121.9°	90.0°
C2	C5	H10	H11	123.2°	90.0°
C5	C2	N1	H13	64.5°	90.0°
C5	C2	C3	H15	121.0°	90.0°
N1	C2	C5	H10	31.2°	90.0°
N1	C2	C5	H11	153.4°	90.0°
N1	C2	C3	H15	115.4°	90.0°
H1	C9	C8	H3	62.4°	90.0°
H1	C9	C8	H4	57.0°	90.0°
H2	C9	C8	H3	177.6°	90.0°
H2	C9	C8	H4	62.9°	90.0°
H3	C8	C7	H5	177.5°	90.0°
H3	C8	C7	H6	61.8°	90.0°
H4	C8	C7	H5	58.1°	90.0°
H4	C8	C7	H6	178.7°	90.0°
H5	C7	C6	H7	175.7°	90.0°
H5	C7	C6	H8	66.1°	90.0°
H6	C7	C6	H7	55.0°	90.0°
H6	C7	C6	H8	173.2°	90.0°
H7	C6	C4	H9	75.6°	90.0°
H8	C6	C4	H9	166.2°	90.0°
H9	C4	C3	H15	40.9°	90.0°
H10	C5	C2	H12	90.9°	90.0°
H11	C5	C2	H12	31.3°	90.0°
H12	C2	N1	H13	57.4°	90.0°
H12	C2	C3	H15	0.8°	90.0°
H14	N2	C3	H15	63.3°	90.0°
H16	N3	C11	H17	39.6°	90.0°
H16	N3	C11	H18	161.9°	90.0°
H17	C11	C12	H19	158.7°	90.0°
H17	C11	C12	H20	37.6°	90.0°
H18	C11	C12	H19	79.0°	90.0°
H18	C11	C12	H20	159.9°	90.0°
H19	C12	C13	H21	59.5°	90.0°
H19	C12	C13	H22	60.4°	90.0°
H20	C12	C13	H21	61.6°	90.0°
H20	C12	C13	H22	178.5°	90.0°
H23	C14	C15	H24	1.0°	90.0°
H24	C15	C16	H25	1.0°	90.0°
H25	C16	C17	H26	0.8°	90.0°
H27	C21	C22	H28	2.8°	90.0°
H28	C22	C23	H29	1.6°	90.0°
H30	C26	C27	H31	0.1°	90.0°
H31	C27	C28	H32	0.6°	90.0°
H32	C28	C29	H33	0.0°	90.0°
H34	C31	C32	H35	3.7°	90.0°
H35	C32	C33	H36	3.9°	90.0°
H37	C36	C37	H38	6.9°	90.0°
H38	C37	C38	H39	0.6°	90.0°
H39	C38	C39	H40	0.1°	90.0°

Release date:	2019-03-13
Definition date:	2018-02-21
Last modified:	2019-03-08
Release status:	REL
Processing site:	EBI
Derived from:	6FRY