MP1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CU	N1	sing	0.00Å	2.17Å
CU	N2	sing	0.00Å	1.96Å
CU	N3	sing	0.00Å	2.06Å
CU	N4	sing	0.00Å	2.15Å
C1	N1	sing	0.00Å	1.60Å
C1	H11	sing	0.00Å	1.10Å
C1	H12	sing	0.00Å	1.10Å
C1	H13	sing	0.00Å	1.10Å
N1	C11	sing	0.00Å	1.50Å	Aromatic
N1	C14	sing	0.00Å	1.38Å	Aromatic
C11	C12	doub	0.00Å	1.49Å	Aromatic
C11	C45	sing	0.00Å	1.44Å
C12	C13	sing	0.00Å	1.43Å	Aromatic
C12	C16	sing	0.00Å	1.57Å
C13	C14	doub	0.00Å	1.52Å	Aromatic
C13	C17	sing	0.00Å	1.56Å
C14	C15	sing	0.00Å	1.43Å
C15	C21	doub	0.00Å	1.40Å
C15	H15	sing	0.00Å	1.08Å
C16	H161	sing	0.00Å	1.10Å
C16	H162	sing	0.00Å	1.10Å
C16	H163	sing	0.00Å	1.10Å
C17	C18	sing	0.00Å	1.57Å
C17	H171	sing	0.00Å	1.10Å
C17	H172	sing	0.00Å	1.10Å
C18	H181	sing	0.00Å	1.10Å
C18	H182	sing	0.00Å	1.10Å
C18	H183	sing	0.00Å	1.10Å
N2	C21	sing	0.00Å	1.36Å
N2	C24	doub	0.00Å	1.47Å
C21	C22	sing	0.00Å	1.50Å
C22	C23	doub	0.00Å	1.49Å
C22	C26	sing	0.00Å	1.53Å
C23	C24	sing	0.00Å	1.41Å
C23	C27	sing	0.00Å	1.59Å
C24	C25	sing	0.00Å	1.39Å
C25	C31	doub	0.00Å	1.33Å
C25	H25	sing	0.00Å	1.08Å
C26	H261	sing	0.00Å	1.10Å
C26	H262	sing	0.00Å	1.10Å
C26	H263	sing	0.00Å	1.10Å
C27	C28	sing	0.00Å	1.56Å
C27	H271	sing	0.00Å	1.10Å
C27	H272	sing	0.00Å	1.10Å
C28	H281	sing	0.00Å	1.10Å
C28	H282	sing	0.00Å	1.10Å
C28	H283	sing	0.00Å	1.10Å
N3	C31	sing	0.00Å	1.38Å
N3	C34	sing	0.00Å	1.45Å
C31	C32	sing	0.00Å	1.53Å
C32	C33	doub	0.00Å	1.42Å
C32	C36	sing	0.00Å	1.63Å
C33	C34	sing	0.00Å	1.47Å
C33	C37	sing	0.00Å	1.52Å
C34	C35	doub	0.00Å	1.40Å
C35	C41	sing	0.00Å	1.51Å
C35	H35	sing	0.00Å	1.08Å
C36	H361	sing	0.00Å	1.10Å
C36	H362	sing	0.00Å	1.10Å
C36	H363	sing	0.00Å	1.10Å
C37	C38	sing	0.00Å	1.50Å
C37	H371	sing	0.00Å	1.10Å
C37	H372	sing	0.00Å	1.10Å
C38	C39	sing	0.00Å	1.54Å
C38	H381	sing	0.00Å	1.10Å
C38	H382	sing	0.00Å	1.10Å
C39	O31	sing	0.00Å	1.25Å
C39	O32	doub	0.00Å	1.24Å
O31	HO31	sing	0.00Å	0.95Å
N4	C41	doub	0.00Å	1.41Å
N4	C44	sing	0.00Å	1.43Å
C41	C42	sing	0.00Å	1.44Å
C42	C43	doub	0.00Å	1.38Å
C42	C47	sing	0.00Å	1.47Å
C43	C44	sing	0.00Å	1.48Å
C43	C46	sing	0.00Å	1.48Å
C44	C45	doub	0.00Å	1.46Å
C45	H45	sing	0.00Å	1.08Å
C46	H461	sing	0.00Å	1.10Å
C46	H462	sing	0.00Å	1.10Å
C46	H463	sing	0.00Å	1.10Å
C47	C48	sing	0.00Å	1.58Å
C47	H471	sing	0.00Å	1.10Å
C47	H472	sing	0.00Å	1.10Å
C48	C49	sing	0.00Å	1.52Å
C48	H481	sing	0.00Å	1.10Å
C48	H482	sing	0.00Å	1.10Å
C49	O41	sing	0.00Å	1.24Å
C49	O42	doub	0.00Å	1.25Å
O41	HO41	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	CU	N2	90.9°	90.0°
N1	CU	N3	163.8°	90.0°
N1	CU	N4	84.0°	90.0°
CU	N1	C1	86.0°	90.0°
CU	N1	C11	121.1°	90.0°
CU	N1	C14	110.9°	90.0°
N2	CU	N3	88.8°	90.0°
N2	CU	N4	171.3°	90.0°
CU	N2	C21	130.3°	90.0°
CU	N2	C24	124.3°	90.0°
N3	CU	N4	94.0°	90.0°
CU	N3	C31	130.0°	90.0°
CU	N3	C34	125.7°	90.0°
CU	N4	C41	119.0°	90.0°
CU	N4	C44	133.1°	90.0°
N1	C1	H11	109.5°	90.0°
N1	C1	H12	109.5°	90.0°
N1	C1	H13	109.5°	90.0°
C1	N1	C11	112.1°	90.0°
C1	N1	C14	119.5°	90.0°
H11	C1	H12	109.5°	90.0°
H11	C1	H13	109.4°	90.0°
H12	C1	H13	109.4°	90.0°
C11	N1	C14	106.9°	90.0°
N1	C11	C12	109.6°	90.0°
N1	C11	C45	128.1°	90.0°
N1	C14	C13	109.4°	90.0°
N1	C14	C15	128.6°	90.0°
C12	C11	C45	122.0°	90.0°
C11	C12	C13	105.4°	90.0°
C11	C12	C16	122.7°	90.0°
C11	C45	C44	118.5°	90.0°
C11	C45	H45	120.8°	90.0°
C13	C12	C16	131.9°	90.0°
C12	C13	C14	108.7°	90.0°
C12	C13	C17	131.2°	90.0°
C12	C16	H161	109.5°	90.0°
C12	C16	H162	109.5°	90.0°
C12	C16	H163	109.5°	90.0°
C14	C13	C17	120.1°	90.0°
C13	C14	C15	122.0°	90.0°
C13	C17	C18	109.5°	90.0°
C13	C17	H171	109.5°	90.0°
C13	C17	H172	109.5°	90.0°
C14	C15	C21	123.7°	90.0°
C14	C15	H15	118.1°	90.0°
C21	C15	H15	118.2°	90.0°
C15	C21	N2	122.1°	90.0°
C15	C21	C22	127.9°	90.0°
H161	C16	H162	109.5°	90.0°
H161	C16	H163	109.5°	90.0°
H162	C16	H163	109.5°	90.0°
C18	C17	H171	109.5°	90.0°
C18	C17	H172	109.5°	90.0°
C17	C18	H181	109.5°	90.0°
C17	C18	H182	109.5°	90.0°
C17	C18	H183	109.5°	90.0°
H171	C17	H172	109.4°	90.0°
H181	C18	H182	109.5°	90.0°
H181	C18	H183	109.5°	90.0°
H182	C18	H183	109.5°	90.0°
C21	N2	C24	105.4°	90.0°
N2	C21	C22	109.9°	90.0°
N2	C24	C23	114.3°	90.0°
N2	C24	C25	128.9°	90.0°
C21	C22	C23	108.0°	90.0°
C21	C22	C26	125.3°	90.0°
C23	C22	C26	126.6°	90.0°
C22	C23	C24	102.4°	90.0°
C22	C23	C27	136.6°	90.0°
C22	C26	H261	109.5°	90.0°
C22	C26	H262	109.5°	90.0°
C22	C26	H263	109.5°	90.0°
C24	C23	C27	121.0°	90.0°
C23	C24	C25	116.8°	90.0°
C23	C27	C28	117.1°	90.0°
C23	C27	H271	107.5°	90.0°
C23	C27	H272	107.5°	90.0°
C24	C25	C31	123.3°	90.0°
C24	C25	H25	118.3°	90.0°
C31	C25	H25	118.3°	90.0°
C25	C31	N3	124.4°	90.0°
C25	C31	C32	119.6°	90.0°
H261	C26	H262	109.4°	90.0°
H261	C26	H263	109.5°	90.0°
H262	C26	H263	109.5°	90.0°
C28	C27	H271	107.5°	90.0°
C28	C27	H272	107.5°	90.0°
C27	C28	H281	109.5°	90.0°
C27	C28	H282	109.5°	90.0°
C27	C28	H283	109.5°	90.0°
H271	C27	H272	109.5°	90.0°
H281	C28	H282	109.5°	90.0°
H281	C28	H283	109.4°	90.0°
H282	C28	H283	109.5°	90.0°
C31	N3	C34	103.8°	90.0°
N3	C31	C32	115.9°	90.0°
N3	C34	C33	108.9°	90.0°
N3	C34	C35	123.8°	90.0°
C31	C32	C33	99.7°	90.0°
C31	C32	C36	127.9°	90.0°
C33	C32	C36	130.4°	90.0°
C32	C33	C34	111.6°	90.0°
C32	C33	C37	126.9°	90.0°
C32	C36	H361	109.5°	90.0°
C32	C36	H362	109.4°	90.0°
C32	C36	H363	109.5°	90.0°
C34	C33	C37	121.4°	90.0°
C33	C34	C35	127.3°	90.0°
C33	C37	C38	123.6°	90.0°
C33	C37	H371	105.8°	90.0°
C33	C37	H372	105.8°	90.0°
C34	C35	C41	126.2°	90.0°
C34	C35	H35	116.9°	90.0°
C41	C35	H35	116.9°	90.0°
C35	C41	N4	129.1°	90.0°
C35	C41	C42	123.7°	90.0°
H361	C36	H362	109.5°	90.0°
H361	C36	H363	109.5°	90.0°
H362	C36	H363	109.5°	90.0°
C38	C37	H371	105.8°	90.0°
C38	C37	H372	105.8°	90.0°
C37	C38	C39	117.9°	90.0°
C37	C38	H381	107.3°	90.0°
C37	C38	H382	107.3°	90.0°
H371	C37	H372	109.5°	90.0°
C39	C38	H381	107.3°	90.0°
C39	C38	H382	107.3°	90.0°
C38	C39	O31	119.7°	90.0°
C38	C39	O32	118.2°	90.0°
H381	C38	H382	109.5°	90.0°
O31	C39	O32	122.1°	90.0°
C39	O31	HO31	109.5°	90.0°
C41	N4	C44	107.8°	90.0°
N4	C41	C42	107.1°	90.0°
N4	C44	C43	108.2°	90.0°
N4	C44	C45	124.5°	90.0°
C41	C42	C43	111.7°	90.0°
C41	C42	C47	120.6°	90.0°
C43	C42	C47	127.7°	90.0°
C42	C43	C44	105.0°	90.0°
C42	C43	C46	120.8°	90.0°
C42	C47	C48	106.1°	90.0°
C42	C47	H471	110.3°	90.0°
C42	C47	H472	110.3°	90.0°
C44	C43	C46	134.1°	90.0°
C43	C44	C45	127.2°	90.0°
C43	C46	H461	109.5°	90.0°
C43	C46	H462	109.4°	90.0°
C43	C46	H463	109.5°	90.0°
C44	C45	H45	120.7°	90.0°
H461	C46	H462	109.5°	90.0°
H461	C46	H463	109.5°	90.0°
H462	C46	H463	109.5°	90.0°
C48	C47	H471	110.3°	90.0°
C48	C47	H472	110.3°	90.0°
C47	C48	C49	115.9°	90.0°
C47	C48	H481	107.9°	90.0°
C47	C48	H482	107.8°	90.0°
H471	C47	H472	109.4°	90.0°
C49	C48	H481	107.8°	90.0°
C49	C48	H482	107.8°	90.0°
C48	C49	O41	116.3°	90.0°
C48	C49	O42	120.5°	90.0°
H481	C48	H482	109.5°	90.0°
O41	C49	O42	123.1°	90.0°
C49	O41	HO41	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	CU	N2	N3	163.8°	90.0°
N1	CU	N2	N4	54.5°	90.0°
N1	CU	N3	N4	82.4°	90.0°
CU	N1	C1	C11	122.1°	90.0°
CU	N1	C1	C14	111.8°	90.0°
CU	N1	C1	H11	180.0°	90.0°
CU	N1	C1	H12	60.0°	90.0°
CU	N1	C1	H13	60.0°	90.0°
CU	N1	C11	C14	128.2°	90.0°
CU	N1	C11	C12	129.2°	90.0°
CU	N1	C11	C45	44.6°	90.0°
CU	N1	C14	C13	135.0°	90.0°
CU	N1	C14	C15	44.9°	90.0°
N1	CU	N2	C21	16.4°	90.0°
N1	CU	N2	C24	164.8°	90.0°
N1	CU	N3	C31	92.9°	90.0°
N1	CU	N3	C34	95.5°	90.0°
N1	CU	N4	C41	173.9°	90.0°
N1	CU	N4	C44	10.0°	90.0°
N2	CU	N3	N4	171.7°	90.0°
N2	CU	N1	C1	87.0°	90.0°
N2	CU	N1	C11	159.5°	90.0°
N2	CU	N1	C14	33.1°	90.0°
CU	N2	C21	C15	0.7°	90.0°
CU	N2	C21	C24	179.0°	90.0°
CU	N2	C21	C22	177.1°	90.0°
CU	N2	C24	C23	178.5°	90.0°
CU	N2	C24	C25	0.1°	90.0°
N2	CU	N3	C31	3.6°	90.0°
N2	CU	N3	C34	175.2°	90.0°
N2	CU	N4	C41	118.9°	90.0°
N2	CU	N4	C44	64.9°	90.0°
N3	CU	N1	C1	2.1°	90.0°
N3	CU	N1	C11	111.4°	90.0°
N3	CU	N1	C14	122.2°	90.0°
N3	CU	N2	C21	179.8°	90.0°
N3	CU	N2	C24	1.0°	90.0°
CU	N3	C31	C25	5.1°	90.0°
CU	N3	C31	C34	173.0°	90.0°
CU	N3	C31	C32	172.3°	90.0°
CU	N3	C34	C33	173.7°	90.0°
CU	N3	C34	C35	5.7°	90.0°
N3	CU	N4	C41	10.0°	90.0°
N3	CU	N4	C44	173.8°	90.0°
N4	CU	N1	C1	85.9°	90.0°
N4	CU	N1	C11	27.6°	90.0°
N4	CU	N1	C14	154.0°	90.0°
N4	CU	N2	C21	70.9°	90.0°
N4	CU	N2	C24	110.3°	90.0°
N4	CU	N3	C31	175.3°	90.0°
N4	CU	N3	C34	13.0°	90.0°
CU	N4	C41	C35	0.5°	90.0°
CU	N4	C41	C44	177.1°	90.0°
CU	N4	C41	C42	176.7°	90.0°
CU	N4	C44	C43	178.0°	90.0°
CU	N4	C44	C45	0.3°	90.0°
N1	C1	H11	H12	120.0°	90.0°
N1	C1	H11	H13	120.0°	90.0°
N1	C1	H12	H13	120.0°	90.0°
C1	N1	C11	C14	132.7°	90.0°
C1	N1	C11	C12	131.7°	90.0°
C1	N1	C11	C45	54.4°	90.0°
C1	N1	C14	C13	127.5°	90.0°
C1	N1	C14	C15	52.6°	90.0°
H11	C1	H12	H13	120.0°	90.0°
H11	C1	N1	C11	57.9°	90.0°
H11	C1	N1	C14	68.2°	90.0°
H12	C1	N1	C11	62.1°	90.0°
H12	C1	N1	C14	171.8°	90.0°
H13	C1	N1	C11	177.9°	90.0°
H13	C1	N1	C14	51.8°	90.0°
N1	C11	C12	C45	174.3°	90.0°
N1	C11	C12	C13	0.5°	90.0°
N1	C11	C12	C16	178.9°	90.0°
C11	N1	C14	C13	1.1°	90.0°
C11	N1	C14	C15	178.8°	90.0°
N1	C11	C45	C44	28.6°	90.0°
N1	C11	C45	H45	151.5°	90.0°
C14	N1	C11	C12	1.0°	90.0°
C14	N1	C11	C45	172.8°	90.0°
N1	C14	C13	C12	0.8°	90.0°
N1	C14	C13	C15	179.9°	90.0°
N1	C14	C13	C17	178.6°	90.0°
N1	C14	C15	C21	26.3°	90.0°
N1	C14	C15	H15	153.7°	90.0°
C11	C12	C13	C16	178.2°	90.0°
C11	C12	C13	C14	0.1°	90.0°
C11	C12	C13	C17	179.2°	90.0°
C11	C12	C16	H161	180.0°	90.0°
C11	C12	C16	H162	60.0°	90.0°
C11	C12	C16	H163	60.0°	90.0°
C12	C11	C45	C44	144.6°	90.0°
C12	C11	C45	H45	35.4°	90.0°
C45	C11	C12	C13	173.8°	90.0°
C45	C11	C12	C16	4.6°	90.0°
C11	C45	C44	N4	3.9°	90.0°
C11	C45	C44	C43	173.3°	90.0°
C11	C45	C44	H45	180.0°	90.0°
C12	C13	C14	C17	179.4°	90.0°
C12	C13	C14	C15	179.1°	90.0°
C13	C12	C16	H161	2.1°	90.0°
C13	C12	C16	H162	117.9°	90.0°
C13	C12	C16	H163	122.1°	90.0°
C12	C13	C17	C18	58.0°	90.0°
C12	C13	C17	H171	178.0°	90.0°
C12	C13	C17	H172	62.0°	90.0°
C16	C12	C13	C14	178.0°	90.0°
C16	C12	C13	C17	2.6°	90.0°
C12	C16	H161	H162	120.0°	90.0°
C12	C16	H161	H163	120.0°	90.0°
C12	C16	H162	H163	120.0°	90.0°
C13	C14	C15	C21	153.6°	90.0°
C13	C14	C15	H15	26.4°	90.0°
C14	C13	C17	C18	121.3°	90.0°
C14	C13	C17	H171	1.3°	90.0°
C14	C13	C17	H172	118.7°	90.0°
C17	C13	C14	C15	1.4°	90.0°
C13	C17	C18	H171	120.0°	90.0°
C13	C17	C18	H172	120.0°	90.0°
C13	C17	H171	H172	120.0°	90.0°
C13	C17	C18	H181	180.0°	90.0°
C13	C17	C18	H182	60.0°	90.0°
C13	C17	C18	H183	60.0°	90.0°
C14	C15	C21	H15	180.0°	90.0°
C14	C15	C21	N2	2.3°	90.0°
C14	C15	C21	C22	179.8°	90.0°
C15	C21	N2	C22	177.9°	90.0°
C15	C21	N2	C24	179.7°	90.0°
C15	C21	C22	C23	179.7°	90.0°
C15	C21	C22	C26	1.2°	90.0°
H15	C15	C21	N2	177.7°	90.0°
H15	C15	C21	C22	0.2°	90.0°
H161	C16	H162	H163	120.0°	90.0°
C18	C17	H171	H172	120.0°	90.0°
C17	C18	H181	H182	120.0°	90.0°
C17	C18	H181	H183	120.0°	90.0°
C17	C18	H182	H183	120.0°	90.0°
H171	C17	C18	H181	60.0°	90.0°
H171	C17	C18	H182	180.0°	90.0°
H171	C17	C18	H183	60.0°	90.0°
H172	C17	C18	H181	60.0°	90.0°
H172	C17	C18	H182	60.0°	90.0°
H172	C17	C18	H183	NaN°	90.0°
H181	C18	H182	H183	120.0°	90.0°
N2	C21	C22	C23	2.5°	90.0°
N2	C21	C22	C26	178.9°	90.0°
C21	N2	C24	C23	0.6°	90.0°
C21	N2	C24	C25	179.0°	90.0°
C24	N2	C21	C22	1.9°	90.0°
N2	C24	C23	C22	1.0°	90.0°
N2	C24	C23	C25	178.6°	90.0°
N2	C24	C23	C27	179.1°	90.0°
N2	C24	C25	C31	0.5°	90.0°
N2	C24	C25	H25	179.5°	90.0°
C21	C22	C23	C26	178.5°	90.0°
C21	C22	C23	C24	2.0°	90.0°
C21	C22	C23	C27	179.7°	90.0°
C21	C22	C26	H261	180.0°	90.0°
C21	C22	C26	H262	60.0°	90.0°
C21	C22	C26	H263	60.0°	90.0°
C22	C23	C24	C27	178.2°	90.0°
C22	C23	C24	C25	177.7°	90.0°
C23	C22	C26	H261	1.7°	90.0°
C23	C22	C26	H262	121.7°	90.0°
C23	C22	C26	H263	118.3°	90.0°
C22	C23	C27	C28	79.3°	90.0°
C22	C23	C27	H271	159.6°	90.0°
C22	C23	C27	H272	41.8°	90.0°
C26	C22	C23	C24	179.5°	90.0°
C26	C22	C23	C27	1.8°	90.0°
C22	C26	H261	H262	120.0°	90.0°
C22	C26	H261	H263	120.0°	90.0°
C22	C26	H262	H263	120.0°	90.0°
C23	C24	C25	C31	177.9°	90.0°
C23	C24	C25	H25	2.1°	90.0°
C24	C23	C27	C28	103.4°	90.0°
C24	C23	C27	H271	17.7°	90.0°
C24	C23	C27	H272	135.6°	90.0°
C27	C23	C24	C25	0.5°	90.0°
C23	C27	C28	H271	121.1°	90.0°
C23	C27	C28	H272	121.1°	90.0°
C23	C27	H271	H272	116.5°	90.0°
C23	C27	C28	H281	180.0°	90.0°
C23	C27	C28	H282	60.0°	90.0°
C23	C27	C28	H283	60.0°	90.0°
C24	C25	C31	H25	180.0°	90.0°
C24	C25	C31	N3	3.1°	90.0°
C24	C25	C31	C32	174.2°	90.0°
C25	C31	N3	C32	177.4°	90.0°
C25	C31	N3	C34	178.2°	90.0°
C25	C31	C32	C33	179.0°	90.0°
C25	C31	C32	C36	13.9°	90.0°
H25	C25	C31	N3	176.9°	90.0°
H25	C25	C31	C32	5.8°	90.0°
H261	C26	H262	H263	120.0°	90.0°
C28	C27	H271	H272	116.6°	90.0°
C27	C28	H281	H282	120.0°	90.0°
C27	C28	H281	H283	120.0°	90.0°
C27	C28	H282	H283	120.0°	90.0°
H271	C27	C28	H281	58.9°	90.0°
H271	C27	C28	H282	178.9°	90.0°
H271	C27	C28	H283	61.1°	90.0°
H272	C27	C28	H281	58.9°	90.0°
H272	C27	C28	H282	61.1°	90.0°
H272	C27	C28	H283	178.9°	90.0°
H281	C28	H282	H283	120.0°	90.0°
N3	C31	C32	C33	1.5°	90.0°
N3	C31	C32	C36	163.7°	90.0°
C31	N3	C34	C33	0.3°	90.0°
C31	N3	C34	C35	179.1°	90.0°
C34	N3	C31	C32	0.8°	90.0°
N3	C34	C33	C32	1.3°	90.0°
N3	C34	C33	C35	179.4°	90.0°
N3	C34	C33	C37	178.9°	90.0°
N3	C34	C35	C41	9.2°	90.0°
N3	C34	C35	H35	170.8°	90.0°
C31	C32	C33	C36	164.6°	90.0°
C31	C32	C33	C34	1.6°	90.0°
C31	C32	C33	C37	179.0°	90.0°
C31	C32	C36	H361	180.0°	90.0°
C31	C32	C36	H362	60.0°	90.0°
C31	C32	C36	H363	60.0°	90.0°
C32	C33	C34	C37	177.6°	90.0°
C32	C33	C34	C35	178.1°	90.0°
C33	C32	C36	H361	19.4°	90.0°
C33	C32	C36	H362	100.6°	90.0°
C33	C32	C36	H363	139.4°	90.0°
C32	C33	C37	C38	91.7°	90.0°
C32	C33	C37	H371	146.3°	90.0°
C32	C33	C37	H372	30.2°	90.0°
C36	C32	C33	C34	163.0°	90.0°
C36	C32	C33	C37	14.4°	90.0°
C32	C36	H361	H362	120.0°	90.0°
C32	C36	H361	H363	120.0°	90.0°
C32	C36	H362	H363	120.0°	90.0°
C33	C34	C35	C41	171.5°	90.0°
C33	C34	C35	H35	8.5°	90.0°
C34	C33	C37	C38	91.0°	90.0°
C34	C33	C37	H371	30.9°	90.0°
C34	C33	C37	H372	147.0°	90.0°
C37	C33	C34	C35	0.4°	90.0°
C33	C37	C38	H371	121.9°	90.0°
C33	C37	C38	H372	121.9°	90.0°
C33	C37	H371	H372	113.6°	90.0°
C33	C37	C38	C39	179.2°	90.0°
C33	C37	C38	H381	59.6°	90.0°
C33	C37	C38	H382	58.0°	90.0°
C34	C35	C41	H35	180.0°	90.0°
C34	C35	C41	N4	12.1°	90.0°
C34	C35	C41	C42	171.1°	90.0°
C35	C41	N4	C42	177.1°	90.0°
C35	C41	N4	C44	177.6°	90.0°
C35	C41	C42	C43	179.7°	90.0°
C35	C41	C42	C47	0.5°	90.0°
H35	C35	C41	N4	167.9°	90.0°
H35	C35	C41	C42	8.9°	90.0°
H361	C36	H362	H363	120.0°	90.0°
C38	C37	H371	H372	113.7°	90.0°
C37	C38	C39	H381	121.2°	90.0°
C37	C38	C39	H382	121.2°	90.0°
C37	C38	H381	H382	116.1°	90.0°
C37	C38	C39	O31	104.4°	90.0°
C37	C38	C39	O32	76.8°	90.0°
H371	C37	C38	C39	57.3°	90.0°
H371	C37	C38	H381	178.5°	90.0°
H371	C37	C38	H382	63.9°	90.0°
H372	C37	C38	C39	58.8°	90.0°
H372	C37	C38	H381	62.4°	90.0°
H372	C37	C38	H382	180.0°	90.0°
C39	C38	H381	H382	116.2°	90.0°
C38	C39	O31	O32	178.7°	90.0°
C38	C39	O31	HO31	178.6°	90.0°
H381	C38	C39	O31	16.8°	90.0°
H381	C38	C39	O32	162.0°	90.0°
H382	C38	C39	O31	134.4°	90.0°
H382	C38	C39	O32	44.3°	90.0°
O32	C39	O31	HO31	0.0°	90.0°
N4	C41	C42	C43	2.3°	90.0°
N4	C41	C42	C47	176.9°	90.0°
C41	N4	C44	C43	1.5°	90.0°
C41	N4	C44	C45	176.2°	90.0°
C44	N4	C41	C42	0.4°	90.0°
N4	C44	C43	C42	2.8°	90.0°
N4	C44	C43	C45	177.6°	90.0°
N4	C44	C43	C46	179.8°	90.0°
N4	C44	C45	H45	176.1°	90.0°
C41	C42	C43	C47	179.1°	90.0°
C41	C42	C43	C44	3.1°	90.0°
C41	C42	C43	C46	179.4°	90.0°
C41	C42	C47	C48	84.8°	90.0°
C41	C42	C47	H471	34.7°	90.0°
C41	C42	C47	H472	155.7°	90.0°
C42	C43	C44	C46	177.0°	90.0°
C42	C43	C44	C45	174.8°	90.0°
C42	C43	C46	H461	180.0°	90.0°
C42	C43	C46	H462	60.0°	90.0°
C42	C43	C46	H463	60.0°	90.0°
C43	C42	C47	C48	94.3°	90.0°
C43	C42	C47	H471	146.2°	90.0°
C43	C42	C47	H472	25.2°	90.0°
C47	C42	C43	C44	176.0°	90.0°
C47	C42	C43	C46	1.5°	90.0°
C42	C47	C48	H471	119.5°	90.0°
C42	C47	C48	H472	119.5°	90.0°
C42	C47	H471	H472	121.5°	90.0°
C42	C47	C48	C49	178.7°	90.0°
C42	C47	C48	H481	60.4°	90.0°
C42	C47	C48	H482	57.8°	90.0°
C43	C44	C45	H45	6.7°	90.0°
C44	C43	C46	H461	3.4°	90.0°
C44	C43	C46	H462	116.6°	90.0°
C44	C43	C46	H463	123.4°	90.0°
C46	C43	C44	C45	2.2°	90.0°
C43	C46	H461	H462	120.0°	90.0°
C43	C46	H461	H463	120.0°	90.0°
C43	C46	H462	H463	120.0°	90.0°
H461	C46	H462	H463	120.0°	90.0°
C48	C47	H471	H472	121.6°	90.0°
C47	C48	C49	H481	121.0°	90.0°
C47	C48	C49	H482	120.9°	90.0°
C47	C48	H481	H482	117.1°	90.0°
C47	C48	C49	O41	92.6°	90.0°
C47	C48	C49	O42	90.1°	90.0°
H471	C47	C48	C49	59.2°	90.0°
H471	C47	C48	H481	179.9°	90.0°
H471	C47	C48	H482	61.7°	90.0°
H472	C47	C48	C49	61.8°	90.0°
H472	C47	C48	H481	59.1°	90.0°
H472	C47	C48	H482	177.2°	90.0°
C49	C48	H481	H482	117.1°	90.0°
C48	C49	O41	O42	177.2°	90.0°
C48	C49	O41	HO41	177.2°	90.0°
H481	C48	C49	O41	146.4°	90.0°
H481	C48	C49	O42	30.9°	90.0°
H482	C48	C49	O41	28.3°	90.0°
H482	C48	C49	O42	149.0°	90.0°
O42	C49	O41	HO41	0.0°	90.0°

Definition date:	1999-09-07
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1C9E