UDF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C22	C24	doub	0.00Å	1.39Å	Aromatic
C22	C21	sing	0.00Å	1.39Å	Aromatic
C24	C25	sing	0.00Å	1.39Å	Aromatic
C21	C20	doub	0.00Å	1.41Å	Aromatic
O7	C19	doub	0.00Å	1.23Å
O9	C29	doub	0.00Å	1.23Å
C25	C26	doub	0.00Å	1.39Å	Aromatic
C20	C26	sing	0.00Å	1.40Å	Aromatic
C20	C18	sing	0.00Å	1.52Å
C19	C18	sing	0.00Å	1.53Å
C19	O8	sing	0.00Å	1.36Å
C27	C30	sing	0.00Å	1.54Å
C27	O8	sing	0.00Å	1.43Å
C27	C28	sing	0.00Å	1.55Å
C29	C28	sing	0.00Å	1.54Å
C29	N1	sing	0.00Å	1.34Å
C18	N5	sing	0.00Å	1.48Å
C42	C41	sing	0.00Å	1.52Å
C42	N2	sing	0.00Å	1.46Å
C28	N6	sing	0.00Å	1.47Å
C41	C40	sing	0.00Å	1.51Å
C38	C23	sing	0.00Å	1.55Å
C38	N8	sing	0.00Å	1.45Å
C1	N1	sing	0.00Å	1.46Å
C1	C23	sing	0.00Å	1.55Å
C1	C12	sing	0.00Å	1.54Å
N2	C12	sing	0.00Å	1.35Å
N2	C34	sing	0.00Å	1.48Å
C40	C34	sing	0.00Å	1.54Å
N5	C13	sing	0.00Å	1.34Å
O10	C31	doub	0.00Å	1.23Å
N8	N9	doub	0.00Å	1.23Å
N6	C31	sing	0.00Å	1.34Å
C12	O1	doub	0.00Å	1.23Å
C31	C32	sing	0.00Å	1.51Å
O5	C13	doub	0.00Å	1.23Å
C34	C39	sing	0.00Å	1.55Å
C13	C11	sing	0.00Å	1.56Å
O3	C39	doub	0.00Å	1.23Å
N9	N10	doub	0.00Å	1.14Å
C39	N3	sing	0.00Å	1.36Å
C14	N4	sing	0.00Å	1.48Å
C14	C15	sing	0.00Å	1.54Å
O2	C37	sing	0.00Å	1.37Å
O6	C16	sing	0.00Å	1.41Å
C32	C37	doub	0.00Å	1.41Å	Aromatic
C32	N7	sing	0.00Å	1.35Å	Aromatic
N4	C11	sing	0.00Å	1.49Å
N4	C2	sing	0.00Å	1.36Å
C11	C17	sing	0.00Å	1.56Å
C37	C36	sing	0.00Å	1.40Å	Aromatic
O4	C2	doub	0.00Å	1.23Å
C2	C43	sing	0.00Å	1.55Å
N3	C3	sing	0.00Å	1.48Å
N3	C43	sing	0.00Å	1.50Å
N7	C33	doub	0.00Å	1.35Å	Aromatic
C15	C16	sing	0.00Å	1.54Å
C16	C17	sing	0.00Å	1.55Å
C43	C4	sing	0.00Å	1.56Å
C36	C35	doub	0.00Å	1.40Å	Aromatic
C33	C35	sing	0.00Å	1.40Å	Aromatic
C4	C5	sing	0.00Å	1.52Å
C5	C6	doub	0.00Å	1.41Å	Aromatic
C5	C10	sing	0.00Å	1.41Å	Aromatic
C6	C7	sing	0.00Å	1.39Å	Aromatic
C10	C9	doub	0.00Å	1.39Å	Aromatic
C7	C8	doub	0.00Å	1.39Å	Aromatic
C9	C8	sing	0.00Å	1.39Å	Aromatic
C4	H7	sing	0.00Å	1.10Å
C4	H6	sing	0.00Å	1.10Å
N1	H2	sing	0.00Å	1.00Å
C6	H9	sing	0.00Å	1.08Å
C1	H1	sing	0.00Å	1.10Å
O2	HO2	sing	0.00Å	0.95Å
C3	H5	sing	0.00Å	1.10Å
C3	H4	sing	0.00Å	1.10Å
C3	H3	sing	0.00Å	1.10Å
N5	H8	sing	0.00Å	1.00Å
N6	H10	sing	0.00Å	1.00Å
O6	H11	sing	0.00Å	0.95Å
C7	H12	sing	0.00Å	1.08Å
C8	H14	sing	0.00Å	1.08Å
C9	H15	sing	0.00Å	1.08Å
C10	H16	sing	0.00Å	1.08Å
N10	H51	sing	0.00Å	1.00Å
C11	H17	sing	0.00Å	1.10Å
C14	H18	sing	0.00Å	1.10Å
C14	H19	sing	0.00Å	1.10Å
C15	H20	sing	0.00Å	1.10Å
C15	H21	sing	0.00Å	1.10Å
C16	H22	sing	0.00Å	1.10Å
C17	H23	sing	0.00Å	1.10Å
C17	H24	sing	0.00Å	1.10Å
C18	H25	sing	0.00Å	1.10Å
C21	H26	sing	0.00Å	1.08Å
C22	H27	sing	0.00Å	1.08Å
C23	H29	sing	0.00Å	1.10Å
C23	H28	sing	0.00Å	1.10Å
C24	H30	sing	0.00Å	1.08Å
C25	H31	sing	0.00Å	1.08Å
C26	H32	sing	0.00Å	1.08Å
C27	H33	sing	0.00Å	1.10Å
C28	H34	sing	0.00Å	1.10Å
C30	H36	sing	0.00Å	1.10Å
C30	H35	sing	0.00Å	1.10Å
C30	H37	sing	0.00Å	1.10Å
C33	H38	sing	0.00Å	1.08Å
C34	H39	sing	0.00Å	1.10Å
C35	H40	sing	0.00Å	1.08Å
C36	H41	sing	0.00Å	1.08Å
C38	H43	sing	0.00Å	1.10Å
C38	H42	sing	0.00Å	1.10Å
C40	H45	sing	0.00Å	1.10Å
C40	H44	sing	0.00Å	1.10Å
C41	H47	sing	0.00Å	1.10Å
C41	H46	sing	0.00Å	1.10Å
C42	H49	sing	0.00Å	1.10Å
C42	H48	sing	0.00Å	1.10Å
C43	H50	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C22	C21	119.9°	90.0°
C22	C24	C25	120.3°	90.0°
C24	C22	H27	120.1°	90.0°
C22	C24	H30	119.8°	90.0°
C22	C21	C20	120.7°	90.0°
C22	C21	H26	119.6°	90.0°
C21	C22	H27	120.1°	90.0°
C24	C25	C26	119.8°	90.0°
C25	C24	H30	119.8°	90.0°
C24	C25	H31	120.1°	90.0°
C21	C20	C26	118.3°	90.0°
C21	C20	C18	123.5°	90.0°
C20	C21	H26	119.6°	90.0°
O7	C19	C18	121.1°	90.0°
O7	C19	O8	123.5°	90.0°
O9	C29	C28	118.6°	90.0°
O9	C29	N1	122.9°	90.0°
C25	C26	C20	121.0°	90.0°
C26	C25	H31	120.1°	90.0°
C25	C26	H32	119.5°	90.0°
C26	C20	C18	118.1°	90.0°
C20	C26	H32	119.5°	90.0°
C20	C18	C19	115.6°	90.0°
C20	C18	N5	109.6°	90.0°
C20	C18	H25	105.5°	90.0°
C18	C19	O8	115.1°	90.0°
C19	C18	N5	113.8°	90.0°
C19	C18	H25	105.4°	90.0°
C19	O8	C27	119.8°	90.0°
C30	C27	O8	109.3°	90.0°
C30	C27	C28	113.4°	90.0°
C30	C27	H33	108.0°	90.0°
C27	C30	H36	109.5°	90.0°
C27	C30	H35	109.4°	90.0°
C27	C30	H37	109.5°	90.0°
O8	C27	C28	108.7°	90.0°
O8	C27	H33	109.4°	90.0°
C27	C28	C29	111.8°	90.0°
C27	C28	N6	111.6°	90.0°
C28	C27	H33	107.9°	90.0°
C27	C28	H34	105.4°	90.0°
C28	C29	N1	118.5°	90.0°
C29	C28	N6	115.4°	90.0°
C29	C28	H34	105.5°	90.0°
C29	N1	C1	125.6°	90.0°
C29	N1	H2	117.2°	90.0°
C18	N5	C13	126.2°	90.0°
C18	N5	H8	116.9°	90.0°
N5	C18	H25	106.0°	90.0°
C41	C42	N2	105.1°	90.0°
C42	C41	C40	102.9°	90.0°
C42	C41	H47	111.1°	90.0°
C42	C41	H46	111.1°	90.0°
C41	C42	H49	110.6°	90.0°
C41	C42	H48	110.6°	90.0°
C42	N2	C12	126.0°	90.0°
C42	N2	C34	111.1°	90.0°
N2	C42	H49	110.5°	90.0°
N2	C42	H48	110.5°	90.0°
C28	N6	C31	124.9°	90.0°
C28	N6	H10	117.5°	90.0°
N6	C28	H34	106.3°	90.0°
C41	C40	C34	105.0°	90.0°
C41	C40	H45	110.6°	90.0°
C41	C40	H44	110.6°	90.0°
C40	C41	H47	111.1°	90.0°
C40	C41	H46	111.1°	90.0°
C23	C38	N8	114.7°	90.0°
C38	C23	C1	116.6°	90.0°
C38	C23	H29	107.7°	90.0°
C38	C23	H28	107.6°	90.0°
C23	C38	H43	108.2°	90.0°
C23	C38	H42	108.2°	90.0°
C38	N8	N9	116.8°	90.0°
N8	C38	H43	108.1°	90.0°
N8	C38	H42	108.1°	90.0°
N1	C1	C23	109.6°	90.0°
N1	C1	C12	104.6°	90.0°
C1	N1	H2	117.2°	90.0°
N1	C1	H1	111.0°	90.0°
C23	C1	C12	111.8°	90.0°
C23	C1	H1	109.8°	90.0°
C1	C23	H29	107.6°	90.0°
C1	C23	H28	107.6°	90.0°
C1	C12	N2	118.7°	90.0°
C1	C12	O1	117.2°	90.0°
C12	C1	H1	109.9°	90.0°
C12	N2	C34	122.8°	90.0°
N2	C12	O1	124.1°	90.0°
N2	C34	C40	103.7°	90.0°
N2	C34	C39	114.7°	90.0°
N2	C34	H39	109.9°	90.0°
C40	C34	C39	110.4°	90.0°
C40	C34	H39	109.0°	90.0°
C34	C40	H45	110.6°	90.0°
C34	C40	H44	110.6°	90.0°
N5	C13	O5	121.8°	90.0°
N5	C13	C11	117.0°	90.0°
C13	N5	H8	116.9°	90.0°
O10	C31	N6	122.1°	90.0°
O10	C31	C32	120.2°	90.0°
N8	N9	N10	172.0°	90.0°
N6	C31	C32	117.7°	90.0°
C31	N6	H10	117.6°	90.0°
C31	C32	C37	122.7°	90.0°
C31	C32	N7	119.5°	90.0°
O5	C13	C11	121.1°	90.0°
C34	C39	O3	117.1°	90.0°
C34	C39	N3	120.6°	90.0°
C39	C34	H39	108.9°	90.0°
C13	C11	N4	111.4°	90.0°
C13	C11	C17	114.0°	90.0°
C13	C11	H17	108.1°	90.0°
O3	C39	N3	122.3°	90.0°
N9	N10	H51	112.0°	90.0°
C39	N3	C3	122.1°	90.0°
C39	N3	C43	119.3°	90.0°
N4	C14	C15	107.0°	90.0°
C14	N4	C11	115.7°	90.0°
C14	N4	C2	117.7°	90.0°
N4	C14	H18	110.1°	90.0°
N4	C14	H19	110.1°	90.0°
C14	C15	C16	113.2°	90.0°
C15	C14	H18	110.1°	90.0°
C15	C14	H19	110.1°	90.0°
C14	C15	H20	108.5°	90.0°
C14	C15	H21	108.5°	90.0°
O2	C37	C32	122.3°	90.0°
O2	C37	C36	117.9°	90.0°
C37	O2	HO2	109.5°	90.0°
O6	C16	C15	108.5°	90.0°
O6	C16	C17	110.3°	90.0°
C16	O6	H11	109.5°	90.0°
O6	C16	H22	110.6°	90.0°
C37	C32	N7	117.9°	90.0°
C32	C37	C36	119.8°	90.0°
C32	N7	C33	124.0°	90.0°
C11	N4	C2	125.3°	90.0°
N4	C11	C17	106.4°	90.0°
N4	C11	H17	108.8°	90.0°
N4	C2	O4	122.7°	90.0°
N4	C2	C43	121.9°	90.0°
C11	C17	C16	116.7°	90.0°
C17	C11	H17	108.0°	90.0°
C11	C17	H23	107.6°	90.0°
C11	C17	H24	107.6°	90.0°
C37	C36	C35	119.8°	90.0°
C37	C36	H41	120.1°	90.0°
O4	C2	C43	115.4°	90.0°
C2	C43	N3	111.1°	90.0°
C2	C43	C4	109.7°	90.0°
C2	C43	H50	107.4°	90.0°
C3	N3	C43	118.6°	90.0°
N3	C3	H5	109.5°	90.0°
N3	C3	H4	109.5°	90.0°
N3	C3	H3	109.5°	90.0°
N3	C43	C4	113.0°	90.0°
N3	C43	H50	108.1°	90.0°
N7	C33	C35	119.4°	90.0°
N7	C33	H38	120.3°	90.0°
C15	C16	C17	109.8°	90.0°
C16	C15	H20	108.5°	90.0°
C16	C15	H21	108.6°	90.0°
C15	C16	H22	108.8°	90.0°
C17	C16	H22	108.7°	90.0°
C16	C17	H23	107.6°	90.0°
C16	C17	H24	107.7°	90.0°
C43	C4	C5	116.2°	90.0°
C43	C4	H7	107.8°	90.0°
C43	C4	H6	107.8°	90.0°
C4	C43	H50	107.4°	90.0°
C36	C35	C33	119.1°	90.0°
C36	C35	H40	120.5°	90.0°
C35	C36	H41	120.1°	90.0°
C35	C33	H38	120.3°	90.0°
C33	C35	H40	120.5°	90.0°
C4	C5	C6	120.5°	90.0°
C4	C5	C10	120.1°	90.0°
C5	C4	H7	107.7°	90.0°
C5	C4	H6	107.8°	90.0°
C6	C5	C10	119.1°	90.0°
C5	C6	C7	120.0°	90.0°
C5	C6	H9	120.0°	90.0°
C5	C10	C9	119.9°	90.0°
C5	C10	H16	120.0°	90.0°
C6	C7	C8	120.2°	90.0°
C7	C6	H9	120.0°	90.0°
C6	C7	H12	119.9°	90.0°
C10	C9	C8	120.3°	90.0°
C10	C9	H15	119.9°	90.0°
C9	C10	H16	120.1°	90.0°
C7	C8	C9	120.4°	90.0°
C8	C7	H12	119.9°	90.0°
C7	C8	H14	119.8°	90.0°
C9	C8	H14	119.8°	90.0°
C8	C9	H15	119.9°	90.0°
H7	C4	H6	109.5°	90.0°
H5	C3	H4	109.4°	90.0°
H5	C3	H3	109.5°	90.0°
H4	C3	H3	109.5°	90.0°
H18	C14	H19	109.5°	90.0°
H20	C15	H21	109.5°	90.0°
H23	C17	H24	109.5°	90.0°
H29	C23	H28	109.5°	90.0°
H36	C30	H35	109.5°	90.0°
H36	C30	H37	109.5°	90.0°
H35	C30	H37	109.5°	90.0°
H43	C38	H42	109.4°	90.0°
H45	C40	H44	109.5°	90.0°
H47	C41	H46	109.5°	90.0°
H49	C42	H48	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C22	C21	H27	180.0°	90.0°
C22	C24	C25	H30	180.0°	90.0°
C24	C22	C21	C20	0.3°	90.0°
C22	C24	C25	C26	0.3°	90.0°
C24	C22	C21	H26	179.7°	90.0°
C22	C24	C25	H31	179.7°	90.0°
C21	C22	C24	C25	0.1°	90.0°
C22	C21	C20	H26	180.0°	90.0°
C22	C21	C20	C26	0.6°	90.0°
C22	C21	C20	C18	176.6°	90.0°
C21	C22	C24	H30	179.9°	90.0°
C24	C25	C26	H31	180.0°	90.0°
C24	C25	C26	C20	0.1°	90.0°
C25	C24	C22	H27	179.9°	90.0°
C24	C25	C26	H32	180.0°	90.0°
C21	C20	C26	C25	0.4°	90.0°
C21	C20	C26	C18	177.4°	90.0°
C21	C20	C18	C19	1.9°	90.0°
C21	C20	C18	N5	132.2°	90.0°
C21	C20	C18	H25	114.1°	90.0°
C20	C21	C22	H27	179.7°	90.0°
C21	C20	C26	H32	179.6°	90.0°
O7	C19	C18	C20	74.5°	90.0°
O7	C19	C18	O8	174.8°	90.0°
O7	C19	O8	C27	7.7°	90.0°
O7	C19	C18	N5	157.4°	90.0°
O7	C19	C18	H25	41.6°	90.0°
O9	C29	C28	C27	45.6°	90.0°
O9	C29	C28	N1	179.3°	90.0°
O9	C29	C28	N6	174.5°	90.0°
O9	C29	N1	C1	4.2°	90.0°
O9	C29	N1	H2	175.8°	90.0°
O9	C29	C28	H34	68.5°	90.0°
C25	C26	C20	H32	180.0°	90.0°
C25	C26	C20	C18	177.0°	90.0°
C26	C25	C24	H30	179.7°	90.0°
C26	C20	C18	C19	179.1°	90.0°
C26	C20	C18	N5	50.6°	90.0°
C26	C20	C18	H25	63.1°	90.0°
C26	C20	C21	H26	179.4°	90.0°
C20	C26	C25	H31	179.9°	90.0°
C20	C18	C19	N5	128.2°	90.0°
C20	C18	C19	H25	116.1°	90.0°
C20	C18	C19	O8	100.3°	90.0°
C20	C18	N5	H25	113.4°	90.0°
C20	C18	N5	C13	151.2°	90.0°
C20	C18	N5	H8	28.8°	90.0°
C18	C20	C21	H26	3.4°	90.0°
C18	C20	C26	H32	3.0°	90.0°
C18	C19	O8	C27	166.9°	90.0°
C19	C18	N5	H25	115.4°	90.0°
C19	C18	N5	C13	77.6°	90.0°
C19	C18	N5	H8	102.4°	90.0°
C19	O8	C27	C30	85.8°	90.0°
C19	O8	C27	C28	149.9°	90.0°
O8	C19	C18	N5	27.9°	90.0°
O8	C19	C18	H25	143.6°	90.0°
C19	O8	C27	H33	32.3°	90.0°
C30	C27	O8	C28	124.3°	90.0°
C30	C27	O8	H33	118.1°	90.0°
C30	C27	C28	H33	119.6°	90.0°
C30	C27	C28	C29	177.8°	90.0°
C30	C27	C28	N6	51.3°	90.0°
C30	C27	C28	H34	63.7°	90.0°
C27	C30	H36	H35	120.0°	90.0°
C27	C30	H36	H37	120.0°	90.0°
C27	C30	H35	H37	120.0°	90.0°
O8	C27	C28	H33	118.6°	90.0°
O8	C27	C28	C29	60.3°	90.0°
O8	C27	C28	N6	70.6°	90.0°
O8	C27	C28	H34	174.5°	90.0°
O8	C27	C30	H36	180.0°	90.0°
O8	C27	C30	H35	60.0°	90.0°
O8	C27	C30	H37	60.0°	90.0°
C27	C28	C29	N6	128.9°	90.0°
C27	C28	C29	H34	114.1°	90.0°
C27	C28	C29	N1	135.1°	90.0°
C27	C28	N6	H34	114.5°	90.0°
C27	C28	N6	C31	134.2°	90.0°
C27	C28	N6	H10	45.8°	90.0°
C28	C27	C30	H36	58.5°	90.0°
C28	C27	C30	H35	61.4°	90.0°
C28	C27	C30	H37	178.5°	90.0°
C29	C28	N6	H34	116.5°	90.0°
C28	C29	N1	C1	176.5°	90.0°
C29	C28	N6	C31	96.8°	90.0°
C28	C29	N1	H2	3.5°	90.0°
C29	C28	N6	H10	83.2°	90.0°
C29	C28	C27	H33	58.3°	90.0°
N1	C29	C28	N6	6.2°	90.0°
C29	N1	C1	H2	180.0°	90.0°
C29	N1	C1	C23	117.0°	90.0°
C29	N1	C1	C12	123.0°	90.0°
C29	N1	C1	H1	4.5°	90.0°
N1	C29	C28	H34	110.8°	90.0°
C18	N5	C13	H8	180.0°	90.0°
C18	N5	C13	O5	16.3°	90.0°
C18	N5	C13	C11	160.2°	90.0°
C41	C42	N2	H49	119.3°	90.0°
C41	C42	N2	H48	119.3°	90.0°
C42	C41	C40	H47	119.0°	90.0°
C42	C41	C40	H46	118.9°	90.0°
C41	C42	N2	C12	161.5°	90.0°
C41	C42	N2	C34	15.9°	90.0°
C42	C41	C40	C34	34.9°	90.0°
C42	C41	C40	H45	154.2°	90.0°
C42	C41	C40	H44	84.4°	90.0°
C42	C41	H47	H46	123.1°	90.0°
C41	C42	H49	H48	122.0°	90.0°
N2	C42	C41	C40	31.1°	90.0°
C42	N2	C12	C1	7.1°	90.0°
C42	N2	C12	C34	177.0°	90.0°
C42	N2	C34	C40	5.9°	90.0°
C42	N2	C12	O1	174.6°	90.0°
C42	N2	C34	C39	126.3°	90.0°
C42	N2	C34	H39	110.6°	90.0°
N2	C42	C41	H47	87.8°	90.0°
N2	C42	C41	H46	150.0°	90.0°
N2	C42	H49	H48	122.0°	90.0°
C28	N6	C31	O10	3.6°	90.0°
C28	N6	C31	H10	180.0°	90.0°
C28	N6	C31	C32	174.3°	90.0°
N6	C28	C27	H33	170.9°	90.0°
C41	C40	C34	N2	25.4°	90.0°
C41	C40	C34	H45	119.3°	90.0°
C41	C40	C34	H44	119.3°	90.0°
C41	C40	C34	C39	148.7°	90.0°
C41	C40	C34	H39	91.6°	90.0°
C41	C40	H45	H44	122.1°	90.0°
C40	C41	H47	H46	123.0°	90.0°
C40	C41	C42	H49	88.2°	90.0°
C40	C41	C42	H48	150.4°	90.0°
C23	C38	N8	H43	120.8°	90.0°
C23	C38	N8	H42	120.8°	90.0°
C38	C23	C1	N1	174.2°	90.0°
C38	C23	C1	H29	121.0°	90.0°
C38	C23	C1	H28	121.0°	90.0°
C38	C23	C1	C12	70.2°	90.0°
C23	C38	N8	N9	53.9°	90.0°
C38	C23	C1	H1	52.0°	90.0°
C38	C23	H29	H28	116.8°	90.0°
C23	C38	H43	H42	117.6°	90.0°
N8	C38	C23	C1	68.2°	90.0°
C38	N8	N9	N10	107.9°	90.0°
N8	C38	C23	H29	170.7°	90.0°
N8	C38	C23	H28	52.8°	90.0°
N8	C38	H43	H42	117.6°	90.0°
N1	C1	C23	C12	115.6°	90.0°
N1	C1	C23	H1	122.2°	90.0°
N1	C1	C12	H1	119.2°	90.0°
N1	C1	C12	N2	124.5°	90.0°
N1	C1	C12	O1	54.0°	90.0°
N1	C1	C23	H29	53.2°	90.0°
N1	C1	C23	H28	64.8°	90.0°
C23	C1	C12	H1	122.2°	90.0°
C23	C1	C12	N2	116.9°	90.0°
C23	C1	C12	O1	64.6°	90.0°
C23	C1	N1	H2	63.0°	90.0°
C1	C23	H29	H28	116.7°	90.0°
C1	C23	C38	H43	171.0°	90.0°
C1	C23	C38	H42	52.5°	90.0°
C1	C12	N2	O1	178.4°	90.0°
C1	C12	N2	C34	175.9°	90.0°
C12	C1	N1	H2	57.0°	90.0°
C12	C1	C23	H29	168.7°	90.0°
C12	C1	C23	H28	50.8°	90.0°
C12	N2	C34	C40	176.7°	90.0°
C12	N2	C34	C39	56.2°	90.0°
N2	C12	C1	H1	5.3°	90.0°
C12	N2	C34	H39	66.8°	90.0°
C12	N2	C42	H49	79.2°	90.0°
C12	N2	C42	H48	42.1°	90.0°
N2	C34	C40	C39	123.3°	90.0°
N2	C34	C40	H39	117.1°	90.0°
C34	N2	C12	O1	2.5°	90.0°
N2	C34	C39	H39	123.6°	90.0°
N2	C34	C39	O3	26.8°	90.0°
N2	C34	C39	N3	155.4°	90.0°
N2	C34	C40	H45	144.7°	90.0°
N2	C34	C40	H44	93.9°	90.0°
C34	N2	C42	H49	103.5°	90.0°
C34	N2	C42	H48	135.2°	90.0°
C40	C34	C39	H39	119.7°	90.0°
C40	C34	C39	O3	89.9°	90.0°
C40	C34	C39	N3	88.0°	90.0°
C34	C40	H45	H44	122.0°	90.0°
C34	C40	C41	H47	84.1°	90.0°
C34	C40	C41	H46	153.8°	90.0°
N5	C13	O5	C11	176.4°	90.0°
N5	C13	C11	N4	54.8°	90.0°
N5	C13	C11	C17	175.3°	90.0°
N5	C13	C11	H17	64.7°	90.0°
C13	N5	C18	H25	37.9°	90.0°
O10	C31	N6	C32	177.9°	90.0°
O10	C31	C32	C37	12.8°	90.0°
O10	C31	C32	N7	167.5°	90.0°
O10	C31	N6	H10	176.4°	90.0°
N8	N9	N10	H51	0.0°	90.0°
N9	N8	C38	H43	66.8°	90.0°
N9	N8	C38	H42	174.7°	90.0°
N6	C31	C32	C37	165.2°	90.0°
N6	C31	C32	N7	14.5°	90.0°
C31	N6	C28	H34	19.7°	90.0°
O1	C12	C1	H1	173.2°	90.0°
C31	C32	C37	O2	0.8°	90.0°
C31	C32	C37	N7	179.7°	90.0°
C31	C32	C37	C36	179.2°	90.0°
C31	C32	N7	C33	179.2°	90.0°
C32	C31	N6	H10	5.7°	90.0°
O5	C13	C11	N4	121.7°	90.0°
O5	C13	C11	C17	1.3°	90.0°
O5	C13	N5	H8	163.6°	90.0°
O5	C13	C11	H17	118.7°	90.0°
C34	C39	O3	N3	177.8°	90.0°
C34	C39	N3	C3	0.8°	90.0°
C34	C39	N3	C43	178.9°	90.0°
C39	C34	C40	H45	92.0°	90.0°
C39	C34	C40	H44	29.4°	90.0°
C13	C11	N4	C14	66.3°	90.0°
C13	C11	N4	C17	124.8°	90.0°
C13	C11	N4	H17	119.1°	90.0°
C13	C11	N4	C2	127.4°	90.0°
C13	C11	C17	H17	120.1°	90.0°
C13	C11	C17	C16	74.7°	90.0°
C11	C13	N5	H8	19.8°	90.0°
C13	C11	C17	H23	46.4°	90.0°
C13	C11	C17	H24	164.3°	90.0°
O3	C39	N3	C3	177.0°	90.0°
O3	C39	N3	C43	1.1°	90.0°
O3	C39	C34	H39	150.4°	90.0°
C39	N3	C43	C2	70.4°	90.0°
C39	N3	C3	C43	178.1°	90.0°
C39	N3	C43	C4	165.9°	90.0°
C39	N3	C3	H5	180.0°	90.0°
C39	N3	C3	H4	60.0°	90.0°
C39	N3	C3	H3	60.0°	90.0°
N3	C39	C34	H39	31.8°	90.0°
C39	N3	C43	H50	47.1°	90.0°
N4	C14	C15	H18	119.6°	90.0°
N4	C14	C15	H19	119.6°	90.0°
C14	N4	C11	C2	166.3°	90.0°
C14	N4	C11	C17	58.5°	90.0°
C14	N4	C2	O4	12.7°	90.0°
C14	N4	C2	C43	167.5°	90.0°
N4	C14	C15	C16	57.9°	90.0°
C14	N4	C11	H17	174.6°	90.0°
N4	C14	H18	H19	121.1°	90.0°
N4	C14	C15	H20	62.6°	90.0°
N4	C14	C15	H21	178.5°	90.0°
C14	C15	C16	O6	70.5°	90.0°
C15	C14	N4	C11	64.3°	90.0°
C15	C14	N4	C2	103.1°	90.0°
C14	C15	C16	H20	120.5°	90.0°
C14	C15	C16	H21	120.6°	90.0°
C14	C15	C16	C17	50.1°	90.0°
C15	C14	H18	H19	121.2°	90.0°
C14	C15	H20	H21	118.3°	90.0°
C14	C15	C16	H22	169.1°	90.0°
O2	C37	C32	C36	180.0°	90.0°
O2	C37	C32	N7	179.6°	90.0°
O2	C37	C36	C35	179.9°	90.0°
O2	C37	C36	H41	0.1°	90.0°
O6	C16	C17	C11	73.2°	90.0°
O6	C16	C15	C17	120.6°	90.0°
O6	C16	C15	H22	120.4°	90.0°
O6	C16	C17	H22	121.5°	90.0°
O6	C16	C15	H20	169.0°	90.0°
O6	C16	C15	H21	50.1°	90.0°
O6	C16	C17	H23	47.9°	90.0°
O6	C16	C17	H24	165.8°	90.0°
C37	C32	N7	C33	0.4°	90.0°
C32	C37	C36	C35	0.1°	90.0°
C32	C37	O2	HO2	4.4°	90.0°
C32	C37	C36	H41	179.9°	90.0°
N7	C32	C37	C36	0.4°	90.0°
C32	N7	C33	C35	0.2°	90.0°
C32	N7	C33	H38	179.8°	90.0°
N4	C11	C17	H17	116.7°	90.0°
C11	N4	C2	O4	178.8°	90.0°
C11	N4	C2	C43	1.4°	90.0°
N4	C11	C17	C16	48.5°	90.0°
C11	N4	C14	H18	176.1°	90.0°
C11	N4	C14	H19	55.3°	90.0°
N4	C11	C17	H23	169.6°	90.0°
N4	C11	C17	H24	72.5°	90.0°
C2	N4	C11	C17	107.8°	90.0°
N4	C2	O4	C43	179.8°	90.0°
N4	C2	C43	N3	118.0°	90.0°
N4	C2	C43	C4	116.3°	90.0°
C2	N4	C11	H17	8.3°	90.0°
C2	N4	C14	H18	16.5°	90.0°
C2	N4	C14	H19	137.3°	90.0°
N4	C2	C43	H50	0.1°	90.0°
C11	C17	C16	C15	46.3°	90.0°
C11	C17	C16	H23	121.1°	90.0°
C11	C17	C16	H24	121.0°	90.0°
C11	C17	C16	H22	165.3°	90.0°
C11	C17	H23	H24	116.7°	90.0°
C37	C36	C35	H41	180.0°	90.0°
C37	C36	C35	C33	0.2°	90.0°
C36	C37	O2	HO2	175.6°	90.0°
C37	C36	C35	H40	179.8°	90.0°
O4	C2	C43	N3	61.8°	90.0°
O4	C2	C43	C4	63.9°	90.0°
O4	C2	C43	H50	179.8°	90.0°
C2	C43	N3	C3	107.8°	90.0°
C2	C43	N3	C4	123.8°	90.0°
C2	C43	N3	H50	117.5°	90.0°
C2	C43	C4	H50	116.4°	90.0°
C2	C43	C4	C5	61.0°	90.0°
C2	C43	C4	H7	178.1°	90.0°
C2	C43	C4	H6	60.0°	90.0°
C3	N3	C43	C4	16.0°	90.0°
N3	C3	H5	H4	120.0°	90.0°
N3	C3	H5	H3	120.0°	90.0°
N3	C3	H4	H3	120.0°	90.0°
C3	N3	C43	H50	134.7°	90.0°
N3	C43	C4	H50	119.1°	90.0°
N3	C43	C4	C5	174.5°	90.0°
N3	C43	C4	H7	53.5°	90.0°
N3	C43	C4	H6	64.5°	90.0°
C43	N3	C3	H5	1.9°	90.0°
C43	N3	C3	H4	121.9°	90.0°
C43	N3	C3	H3	118.1°	90.0°
N7	C33	C35	C36	0.1°	90.0°
N7	C33	C35	H38	180.0°	90.0°
N7	C33	C35	H40	179.8°	90.0°
C15	C16	C17	H22	119.0°	90.0°
C15	C16	O6	H11	101.3°	90.0°
C16	C15	C14	H18	177.5°	90.0°
C16	C15	C14	H19	61.7°	90.0°
C16	C15	H20	H21	118.3°	90.0°
C15	C16	C17	H23	167.4°	90.0°
C15	C16	C17	H24	74.7°	90.0°
C17	C16	O6	H11	19.0°	90.0°
C16	C17	C11	H17	165.2°	90.0°
C17	C16	C15	H20	70.4°	90.0°
C17	C16	C15	H21	170.7°	90.0°
C16	C17	H23	H24	116.7°	90.0°
C43	C4	C5	H7	121.0°	90.0°
C43	C4	C5	H6	121.0°	90.0°
C43	C4	C5	C6	90.3°	90.0°
C43	C4	C5	C10	82.4°	90.0°
C43	C4	H7	H6	116.9°	90.0°
C36	C35	C33	H40	180.0°	90.0°
C36	C35	C33	H38	179.9°	90.0°
C33	C35	C36	H41	179.8°	90.0°
C4	C5	C6	C10	172.8°	90.0°
C4	C5	C6	C7	175.2°	90.0°
C4	C5	C10	C9	175.5°	90.0°
C5	C4	H7	H6	116.9°	90.0°
C4	C5	C6	H9	4.8°	90.0°
C4	C5	C10	H16	4.5°	90.0°
C5	C4	C43	H50	55.4°	90.0°
C5	C6	C7	H9	180.0°	90.0°
C6	C5	C10	C9	2.6°	90.0°
C5	C6	C7	C8	0.9°	90.0°
C6	C5	C4	H7	148.7°	90.0°
C6	C5	C4	H6	30.6°	90.0°
C5	C6	C7	H12	179.1°	90.0°
C6	C5	C10	H16	177.4°	90.0°
C10	C5	C6	C7	2.3°	90.0°
C5	C10	C9	H16	180.0°	90.0°
C5	C10	C9	C8	1.4°	90.0°
C10	C5	C4	H7	38.5°	90.0°
C10	C5	C4	H6	156.6°	90.0°
C10	C5	C6	H9	177.7°	90.0°
C5	C10	C9	H15	178.6°	90.0°
C6	C7	C8	H12	180.0°	90.0°
C6	C7	C8	C9	0.3°	90.0°
C6	C7	C8	H14	179.7°	90.0°
C10	C9	C8	C7	0.0°	90.0°
C10	C9	C8	H15	180.0°	90.0°
C10	C9	C8	H14	180.0°	90.0°
C7	C8	C9	H14	180.0°	90.0°
C8	C7	C6	H9	179.1°	90.0°
C7	C8	C9	H15	180.0°	90.0°
C9	C8	C7	H12	179.7°	90.0°
C8	C9	C10	H16	178.6°	90.0°
H7	C4	C43	H50	65.6°	90.0°
H6	C4	C43	H50	176.4°	90.0°
H2	N1	C1	H1	175.5°	90.0°
H9	C6	C7	H12	0.9°	90.0°
H1	C1	C23	H29	69.0°	90.0°
H1	C1	C23	H28	173.0°	90.0°
H5	C3	H4	H3	120.0°	90.0°
H8	N5	C18	H25	142.2°	90.0°
H10	N6	C28	H34	160.3°	90.0°
H11	O6	C16	H22	139.4°	90.0°
H12	C7	C8	H14	0.3°	90.0°
H14	C8	C9	H15	0.0°	90.0°
H15	C9	C10	H16	1.5°	90.0°
H17	C11	C17	H23	73.7°	90.0°
H17	C11	C17	H24	44.2°	90.0°
H18	C14	C15	H20	57.0°	90.0°
H18	C14	C15	H21	61.9°	90.0°
H19	C14	C15	H20	177.8°	90.0°
H19	C14	C15	H21	58.9°	90.0°
H20	C15	C16	H22	48.5°	90.0°
H21	C15	C16	H22	70.4°	90.0°
H22	C16	C17	H23	73.6°	90.0°
H22	C16	C17	H24	44.3°	90.0°
H26	C21	C22	H27	0.3°	90.0°
H27	C22	C24	H30	0.1°	90.0°
H29	C23	C38	H43	50.0°	90.0°
H29	C23	C38	H42	68.5°	90.0°
H28	C23	C38	H43	68.0°	90.0°
H28	C23	C38	H42	173.6°	90.0°
H30	C24	C25	H31	0.3°	90.0°
H31	C25	C26	H32	0.0°	90.0°
H33	C27	C28	H34	55.9°	90.0°
H33	C27	C30	H36	61.0°	90.0°
H33	C27	C30	H35	179.0°	90.0°
H33	C27	C30	H37	59.0°	90.0°
H36	C30	H35	H37	120.0°	90.0°
H38	C33	C35	H40	0.1°	90.0°
H39	C34	C40	H45	27.7°	90.0°
H39	C34	C40	H44	149.1°	90.0°
H40	C35	C36	H41	0.2°	90.0°
H45	C40	C41	H47	35.2°	90.0°
H45	C40	C41	H46	86.9°	90.0°
H44	C40	C41	H47	156.6°	90.0°
H44	C40	C41	H46	34.5°	90.0°
H47	C41	C42	H49	152.9°	90.0°
H47	C41	C42	H48	31.5°	90.0°
H46	C41	C42	H49	30.7°	90.0°
H46	C41	C42	H48	90.7°	90.0°

Release date:	2023-06-28
Definition date:	2022-08-17
Last modified:	2023-06-23
Release status:	REL
Processing site:	RCSB
Derived from:	8E32