89R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C27	doub	0.00Å	1.25Å
C27	O2	sing	0.00Å	1.25Å
C27	C26	sing	0.00Å	1.52Å
C26	C25	sing	0.00Å	1.54Å
C9	C5	sing	0.00Å	1.51Å
C9	C10	sing	0.00Å	1.55Å
C25	C22	sing	0.00Å	1.51Å
C5	C6	doub	0.00Å	1.37Å
C5	C4	sing	0.00Å	1.45Å
C8	C6	sing	0.00Å	1.50Å
C22	C23	sing	0.00Å	1.46Å
C22	C21	doub	0.00Å	1.37Å
C	C4	doub	0.00Å	1.39Å
C	C23	sing	0.00Å	1.39Å
C6	C7	sing	0.00Å	1.45Å
C4	N	sing	0.00Å	1.37Å
C24	C21	sing	0.00Å	1.50Å
C23	N3	doub	0.00Å	1.38Å
C21	C20	sing	0.00Å	1.45Å
C10	C11	sing	0.00Å	1.53Å
C7	N	sing	0.00Å	1.38Å
C7	C1	doub	0.00Å	1.38Å
N	FE	sing	0.00Å	2.03Å
N3	C20	sing	0.00Å	1.37Å
N3	FE	sing	0.00Å	2.02Å
C20	C3	doub	0.00Å	1.39Å
C1	C12	sing	0.00Å	1.39Å
C3	C19	sing	0.00Å	1.39Å
FE	N1	sing	0.00Å	2.04Å
FE	N2	sing	0.00Å	2.02Å
C12	N1	doub	0.00Å	1.38Å
C12	C13	sing	0.00Å	1.44Å
O	C11	doub	0.00Å	1.25Å
C11	O1	sing	0.00Å	1.26Å
C30	C13	sing	0.00Å	1.51Å
C30	C31	sing	0.00Å	1.51Å
N1	C15	sing	0.00Å	1.37Å
C19	N2	sing	0.00Å	1.36Å	Aromatic
C19	C18	doub	0.00Å	1.45Å	Aromatic
N2	C16	sing	0.00Å	1.37Å	Aromatic
C13	C14	doub	0.00Å	1.38Å
F2	C33	sing	0.00Å	1.34Å
C29	C28	sing	0.00Å	1.52Å
C18	C32	sing	0.00Å	1.50Å
C18	C17	sing	0.00Å	1.37Å	Aromatic
C15	C14	sing	0.00Å	1.44Å
C15	C2	doub	0.00Å	1.47Å
C14	C33	sing	0.00Å	1.49Å
C16	C17	doub	0.00Å	1.44Å	Aromatic
C16	C2	sing	0.00Å	1.38Å
C17	C28	sing	0.00Å	1.51Å
C33	F	sing	0.00Å	1.35Å
C33	F1	sing	0.00Å	1.35Å
C1	H1	sing	0.00Å	1.08Å
C2	H2	sing	0.00Å	1.08Å
C10	H3	sing	0.00Å	1.10Å
C10	H4	sing	0.00Å	1.10Å
C3	H5	sing	0.00Å	1.08Å
C8	H6	sing	0.00Å	1.10Å
C8	H7	sing	0.00Å	1.10Å
C8	H8	sing	0.00Å	1.10Å
C9	H9	sing	0.00Å	1.10Å
C9	H10	sing	0.00Å	1.10Å
O2	H11	sing	0.00Å	0.95Å
O1	H12	sing	0.00Å	0.95Å
C	H13	sing	0.00Å	1.08Å
C24	H14	sing	0.00Å	1.10Å
C24	H15	sing	0.00Å	1.10Å
C24	H16	sing	0.00Å	1.10Å
C25	H17	sing	0.00Å	1.10Å
C25	H18	sing	0.00Å	1.10Å
C26	H19	sing	0.00Å	1.10Å
C26	H20	sing	0.00Å	1.10Å
C28	H21	sing	0.00Å	1.10Å
C28	H22	sing	0.00Å	1.10Å
C29	H23	sing	0.00Å	1.10Å
C29	H24	sing	0.00Å	1.10Å
C29	H25	sing	0.00Å	1.10Å
C30	H26	sing	0.00Å	1.10Å
C30	H27	sing	0.00Å	1.10Å
C31	H28	sing	0.00Å	1.10Å
C31	H29	sing	0.00Å	1.10Å
C31	H30	sing	0.00Å	1.10Å
C32	H31	sing	0.00Å	1.10Å
C32	H32	sing	0.00Å	1.10Å
C32	H33	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C27	O2	122.4°	90.0°
O3	C27	C26	117.9°	90.0°
O2	C27	C26	119.7°	90.0°
C27	O2	H11	109.5°	90.0°
C27	C26	C25	112.0°	90.0°
C27	C26	H19	108.8°	90.0°
C27	C26	H20	108.8°	90.0°
C26	C25	C22	109.3°	90.0°
C26	C25	H17	109.5°	90.0°
C26	C25	H18	109.5°	90.0°
C25	C26	H19	108.8°	90.0°
C25	C26	H20	108.8°	90.0°
C5	C9	C10	108.6°	90.0°
C9	C5	C6	127.0°	90.0°
C9	C5	C4	126.1°	90.0°
C5	C9	H9	109.7°	90.0°
C5	C9	H10	109.7°	90.0°
C9	C10	C11	116.3°	90.0°
C9	C10	H3	107.8°	90.0°
C9	C10	H4	107.7°	90.0°
C10	C9	H9	109.7°	90.0°
C10	C9	H10	109.7°	90.0°
C25	C22	C23	127.7°	90.0°
C25	C22	C21	125.7°	90.0°
C22	C25	H17	109.5°	90.0°
C22	C25	H18	109.5°	90.0°
C6	C5	C4	107.0°	90.0°
C5	C6	C8	128.3°	90.0°
C5	C6	C7	106.0°	90.0°
C5	C4	C	125.1°	90.0°
C5	C4	N	110.5°	90.0°
C8	C6	C7	125.7°	90.0°
C6	C8	H6	109.5°	90.0°
C6	C8	H7	109.5°	90.0°
C6	C8	H8	109.5°	90.0°
C23	C22	C21	106.6°	90.0°
C22	C23	C	125.5°	90.0°
C22	C23	N3	109.4°	90.0°
C22	C21	C24	127.6°	90.0°
C22	C21	C20	106.8°	90.0°
C4	C	C23	125.9°	90.0°
C	C4	N	124.4°	90.0°
C4	C	H13	117.0°	90.0°
C	C23	N3	125.0°	90.0°
C23	C	H13	117.1°	90.0°
C6	C7	N	110.8°	90.0°
C6	C7	C1	123.3°	90.0°
C4	N	C7	105.8°	90.0°
C4	N	FE	127.2°	90.0°
C24	C21	C20	125.6°	90.0°
C21	C24	H14	109.5°	90.0°
C21	C24	H15	109.5°	90.0°
C21	C24	H16	109.5°	90.0°
C23	N3	C20	107.2°	90.0°
C23	N3	FE	126.6°	90.0°
C21	C20	N3	109.9°	90.0°
C21	C20	C3	124.8°	90.0°
C10	C11	O	120.2°	90.0°
C10	C11	O1	119.8°	90.0°
C11	C10	H3	107.8°	90.0°
C11	C10	H4	107.8°	90.0°
N	C7	C1	125.9°	90.0°
C7	N	FE	127.0°	90.0°
C7	C1	C12	125.4°	90.0°
C7	C1	H1	117.3°	90.0°
N	FE	N3	89.8°	90.0°
N	FE	N1	89.1°	90.0°
N	FE	N2	176.3°	90.0°
C20	N3	FE	126.2°	90.0°
N3	C20	C3	125.2°	90.0°
N3	FE	N1	175.8°	90.0°
N3	FE	N2	90.3°	90.0°
C20	C3	C19	126.3°	90.0°
C20	C3	H5	116.8°	90.0°
C1	C12	N1	125.3°	90.0°
C1	C12	C13	122.8°	90.0°
C12	C1	H1	117.3°	90.0°
C3	C19	N2	124.6°	90.0°
C3	C19	C18	124.8°	90.0°
C19	C3	H5	116.8°	90.0°
N1	FE	N2	90.5°	90.0°
FE	N1	C12	127.1°	90.0°
FE	N1	C15	127.1°	90.0°
FE	N2	C19	127.1°	90.0°
FE	N2	C16	127.0°	90.0°
N1	C12	C13	111.9°	90.0°
C12	N1	C15	105.8°	90.0°
C12	C13	C30	125.4°	90.0°
C12	C13	C14	104.6°	90.0°
O	C11	O1	120.0°	90.0°
C11	O1	H12	109.5°	90.0°
C13	C30	C31	115.6°	90.0°
C30	C13	C14	129.9°	90.0°
C13	C30	H26	107.9°	90.0°
C13	C30	H27	107.9°	90.0°
C31	C30	H26	107.9°	90.0°
C31	C30	H27	107.9°	90.0°
C30	C31	H28	109.5°	90.0°
C30	C31	H29	109.4°	90.0°
C30	C31	H30	109.5°	90.0°
N1	C15	C14	109.8°	90.0°
N1	C15	C2	123.5°	90.0°
N2	C19	C18	110.6°	90.0°
C19	N2	C16	105.7°	90.0°
C19	C18	C32	126.7°	90.0°
C19	C18	C17	106.6°	90.0°
N2	C16	C17	111.0°	90.0°
N2	C16	C2	126.1°	90.0°
C13	C14	C15	107.9°	90.0°
C13	C14	C33	125.3°	90.0°
F2	C33	C14	107.1°	90.0°
F2	C33	F	106.3°	90.0°
F2	C33	F1	108.5°	90.0°
C29	C28	C17	109.1°	90.0°
C29	C28	H21	109.5°	90.0°
C29	C28	H22	109.5°	90.0°
C28	C29	H23	109.5°	90.0°
C28	C29	H24	109.5°	90.0°
C28	C29	H25	109.5°	90.0°
C32	C18	C17	126.8°	90.0°
C18	C32	H31	109.5°	90.0°
C18	C32	H32	109.5°	90.0°
C18	C32	H33	109.5°	90.0°
C18	C17	C16	106.1°	90.0°
C18	C17	C28	127.8°	90.0°
C14	C15	C2	126.7°	90.0°
C15	C14	C33	126.7°	90.0°
C15	C2	C16	124.7°	90.0°
C15	C2	H2	117.6°	90.0°
C14	C33	F	110.5°	90.0°
C14	C33	F1	112.8°	90.0°
C17	C16	C2	123.0°	90.0°
C16	C17	C28	126.1°	90.0°
C16	C2	H2	117.7°	90.0°
C17	C28	H21	109.6°	90.0°
C17	C28	H22	109.6°	90.0°
F	C33	F1	111.2°	90.0°
H3	C10	H4	109.4°	90.0°
H6	C8	H7	109.5°	90.0°
H6	C8	H8	109.5°	90.0°
H7	C8	H8	109.4°	90.0°
H9	C9	H10	109.5°	90.0°
H14	C24	H15	109.5°	90.0°
H14	C24	H16	109.5°	90.0°
H15	C24	H16	109.5°	90.0°
H17	C25	H18	109.5°	90.0°
H19	C26	H20	109.5°	90.0°
H21	C28	H22	109.5°	90.0°
H23	C29	H24	109.5°	90.0°
H23	C29	H25	109.5°	90.0°
H24	C29	H25	109.4°	90.0°
H26	C30	H27	109.5°	90.0°
H28	C31	H29	109.5°	90.0°
H28	C31	H30	109.5°	90.0°
H29	C31	H30	109.5°	90.0°
H31	C32	H32	109.5°	90.0°
H31	C32	H33	109.5°	90.0°
H32	C32	H33	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C27	O2	C26	179.7°	90.0°
O3	C27	C26	C25	128.8°	90.0°
O3	C27	O2	H11	0.0°	90.0°
O3	C27	C26	H19	110.8°	90.0°
O3	C27	C26	H20	8.5°	90.0°
O2	C27	C26	C25	51.4°	90.0°
O2	C27	C26	H19	68.9°	90.0°
O2	C27	C26	H20	171.8°	90.0°
C27	C26	C25	H19	120.4°	90.0°
C27	C26	C25	H20	120.4°	90.0°
C27	C26	C25	C22	169.0°	90.0°
C26	C27	O2	H11	179.7°	90.0°
C27	C26	C25	H17	49.0°	90.0°
C27	C26	C25	H18	71.1°	90.0°
C27	C26	H19	H20	118.9°	90.0°
C26	C25	C22	H17	120.0°	90.0°
C26	C25	C22	H18	119.9°	90.0°
C26	C25	C22	C23	98.3°	90.0°
C26	C25	C22	C21	80.6°	90.0°
C26	C25	H17	H18	120.1°	90.0°
C25	C26	H19	H20	118.8°	90.0°
C5	C9	C10	H9	119.9°	90.0°
C5	C9	C10	H10	119.9°	90.0°
C9	C5	C6	C4	179.1°	90.0°
C9	C5	C6	C8	1.4°	90.0°
C9	C5	C4	C	2.1°	90.0°
C9	C5	C6	C7	178.7°	90.0°
C9	C5	C4	N	178.6°	90.0°
C5	C9	C10	C11	59.4°	90.0°
C5	C9	C10	H3	61.6°	90.0°
C5	C9	C10	H4	179.6°	90.0°
C5	C9	H9	H10	120.4°	90.0°
C10	C9	C5	C6	75.8°	90.0°
C10	C9	C5	C4	103.1°	90.0°
C9	C10	C11	H3	121.0°	90.0°
C9	C10	C11	H4	121.0°	90.0°
C9	C10	C11	O	64.1°	90.0°
C9	C10	C11	O1	117.8°	90.0°
C9	C10	H3	H4	116.9°	90.0°
C10	C9	H9	H10	120.4°	90.0°
C25	C22	C23	C21	179.1°	90.0°
C25	C22	C23	C	2.5°	90.0°
C25	C22	C21	C24	0.9°	90.0°
C25	C22	C23	N3	178.9°	90.0°
C25	C22	C21	C20	178.9°	90.0°
C22	C25	H17	H18	120.1°	90.0°
C22	C25	C26	H19	70.7°	90.0°
C22	C25	C26	H20	48.6°	90.0°
C5	C6	C8	C7	179.8°	90.0°
C6	C5	C4	C	178.8°	90.0°
C6	C5	C4	N	0.5°	90.0°
C5	C6	C7	N	0.1°	90.0°
C5	C6	C7	C1	179.6°	90.0°
C5	C6	C8	H6	180.0°	90.0°
C5	C6	C8	H7	60.0°	90.0°
C5	C6	C8	H8	60.0°	90.0°
C6	C5	C9	H9	44.1°	90.0°
C6	C5	C9	H10	164.4°	90.0°
C4	C5	C6	C8	179.5°	90.0°
C5	C4	C	N	179.2°	90.0°
C5	C4	C	C23	172.0°	90.0°
C4	C5	C6	C7	0.3°	90.0°
C5	C4	N	C7	0.4°	90.0°
C5	C4	N	FE	177.2°	90.0°
C4	C5	C9	H9	137.0°	90.0°
C4	C5	C9	H10	16.7°	90.0°
C5	C4	C	H13	8.0°	90.0°
C8	C6	C7	N	179.7°	90.0°
C8	C6	C7	C1	0.2°	90.0°
C6	C8	H6	H7	120.0°	90.0°
C6	C8	H6	H8	120.0°	90.0°
C6	C8	H7	H8	120.0°	90.0°
C22	C23	C	C4	171.2°	90.0°
C22	C23	C	N3	178.4°	90.0°
C23	C22	C21	C24	180.0°	90.0°
C23	C22	C21	C20	0.2°	90.0°
C22	C23	N3	C20	0.2°	90.0°
C22	C23	N3	FE	179.0°	90.0°
C22	C23	C	H13	8.7°	90.0°
C23	C22	C25	H17	21.7°	90.0°
C23	C22	C25	H18	141.8°	90.0°
C21	C22	C23	C	178.4°	90.0°
C22	C21	C24	C20	179.8°	90.0°
C21	C22	C23	N3	0.2°	90.0°
C22	C21	C20	N3	0.1°	90.0°
C22	C21	C20	C3	178.6°	90.0°
C22	C21	C24	H14	180.0°	90.0°
C22	C21	C24	H15	60.0°	90.0°
C22	C21	C24	H16	60.0°	90.0°
C21	C22	C25	H17	159.4°	90.0°
C21	C22	C25	H18	39.3°	90.0°
C4	C	C23	H13	180.0°	90.0°
C4	C	C23	N3	10.4°	90.0°
C	C4	N	C7	178.9°	90.0°
C	C4	N	FE	3.5°	90.0°
C23	C	C4	N	7.2°	90.0°
C	C23	N3	C20	178.5°	90.0°
C	C23	N3	FE	2.4°	90.0°
C6	C7	N	C4	0.2°	90.0°
C6	C7	N	C1	179.5°	90.0°
C6	C7	N	FE	177.4°	90.0°
C6	C7	C1	C12	175.1°	90.0°
C6	C7	C1	H1	4.8°	90.0°
C7	C6	C8	H6	0.2°	90.0°
C7	C6	C8	H7	119.9°	90.0°
C7	C6	C8	H8	120.2°	90.0°
C4	N	C7	FE	177.6°	90.0°
C4	N	C7	C1	179.3°	90.0°
C4	N	FE	N3	7.8°	90.0°
C4	N	FE	N1	176.2°	90.0°
C4	N	FE	N2	99.2°	90.0°
N	C4	C	H13	172.8°	90.0°
C24	C21	C20	N3	179.9°	90.0°
C24	C21	C20	C3	1.2°	90.0°
C21	C24	H14	H15	120.0°	90.0°
C21	C24	H14	H16	120.0°	90.0°
C21	C24	H15	H16	120.0°	90.0°
C23	N3	C20	C21	0.1°	90.0°
C23	N3	FE	N	5.0°	90.0°
C23	N3	C20	FE	179.2°	90.0°
C23	N3	C20	C3	178.7°	90.0°
C23	N3	FE	N1	80.2°	90.0°
C23	N3	FE	N2	178.6°	90.0°
N3	C23	C	H13	169.6°	90.0°
C21	C20	N3	C3	178.7°	90.0°
C21	C20	N3	FE	179.1°	90.0°
C21	C20	C3	C19	178.7°	90.0°
C21	C20	C3	H5	1.3°	90.0°
C20	C21	C24	H14	0.3°	90.0°
C20	C21	C24	H15	120.2°	90.0°
C20	C21	C24	H16	119.8°	90.0°
C10	C11	O	O1	178.1°	90.0°
C11	C10	H3	H4	116.9°	90.0°
C11	C10	C9	H9	179.2°	90.0°
C11	C10	C9	H10	60.5°	90.0°
C10	C11	O1	H12	178.0°	90.0°
C7	N	FE	N3	175.1°	90.0°
N	C7	C1	C12	5.4°	90.0°
C7	N	FE	N1	0.9°	90.0°
C7	N	FE	N2	83.7°	90.0°
N	C7	C1	H1	174.6°	90.0°
C1	C7	N	FE	3.1°	90.0°
C7	C1	C12	H1	180.0°	90.0°
C7	C1	C12	N1	2.3°	90.0°
C7	C1	C12	C13	175.9°	90.0°
N	FE	N3	C20	174.0°	90.0°
N	FE	N3	N1	75.2°	90.0°
N	FE	N3	N2	176.3°	90.0°
N	FE	N1	N2	176.3°	90.0°
N	FE	N1	C12	3.6°	90.0°
N	FE	N1	C15	178.9°	90.0°
N	FE	N2	C19	87.1°	90.0°
N	FE	N2	C16	88.7°	90.0°
N3	C20	C3	C19	2.8°	90.0°
C20	N3	FE	N1	98.8°	90.0°
C20	N3	FE	N2	2.3°	90.0°
N3	C20	C3	H5	177.2°	90.0°
FE	N3	C20	C3	0.5°	90.0°
N3	FE	N1	N2	101.1°	90.0°
N3	FE	N1	C12	71.6°	90.0°
N3	FE	N1	C15	105.8°	90.0°
N3	FE	N2	C19	4.2°	90.0°
N3	FE	N2	C16	179.9°	90.0°
C20	C3	C19	H5	180.0°	90.0°
C20	C3	C19	N2	0.7°	90.0°
C20	C3	C19	C18	178.8°	90.0°
C1	C12	N1	FE	2.7°	90.0°
C1	C12	N1	C13	178.4°	90.0°
C1	C12	C13	C30	3.1°	90.0°
C1	C12	N1	C15	179.4°	90.0°
C1	C12	C13	C14	178.6°	90.0°
C3	C19	N2	FE	3.5°	90.0°
C3	C19	N2	C18	179.6°	90.0°
C3	C19	N2	C16	179.9°	90.0°
C3	C19	C18	C32	0.3°	90.0°
C3	C19	C18	C17	179.5°	90.0°
FE	N1	C12	C15	177.9°	90.0°
FE	N1	C12	C13	178.9°	90.0°
N1	FE	N2	C19	171.7°	90.0°
N1	FE	N2	C16	4.2°	90.0°
FE	N1	C15	C14	179.3°	90.0°
FE	N1	C15	C2	1.4°	90.0°
N2	FE	N1	C12	172.7°	90.0°
N2	FE	N1	C15	4.7°	90.0°
FE	N2	C19	C16	176.6°	90.0°
FE	N2	C19	C18	176.9°	90.0°
FE	N2	C16	C17	177.2°	90.0°
FE	N2	C16	C2	3.0°	90.0°
N1	C12	C13	C30	178.5°	90.0°
N1	C12	C13	C14	0.2°	90.0°
C12	N1	C15	C14	1.3°	90.0°
C12	N1	C15	C2	179.3°	90.0°
N1	C12	C1	H1	177.7°	90.0°
C12	C13	C30	C14	177.8°	90.0°
C12	C13	C30	C31	84.1°	90.0°
C13	C12	N1	C15	1.0°	90.0°
C12	C13	C14	C15	0.6°	90.0°
C12	C13	C14	C33	177.6°	90.0°
C13	C12	C1	H1	4.1°	90.0°
C12	C13	C30	H26	155.0°	90.0°
C12	C13	C30	H27	36.8°	90.0°
O	C11	C10	H3	174.9°	90.0°
O	C11	C10	H4	56.9°	90.0°
O	C11	O1	H12	0.0°	90.0°
O1	C11	C10	H3	3.2°	90.0°
O1	C11	C10	H4	121.2°	90.0°
C13	C30	C31	H26	120.9°	90.0°
C13	C30	C31	H27	120.9°	90.0°
C30	C13	C14	C15	177.6°	90.0°
C30	C13	C14	C33	0.6°	90.0°
C13	C30	H26	H27	117.2°	90.0°
C13	C30	C31	H28	180.0°	90.0°
C13	C30	C31	H29	60.0°	90.0°
C13	C30	C31	H30	60.0°	90.0°
C31	C30	C13	C14	98.0°	90.0°
C31	C30	H26	H27	117.2°	90.0°
C30	C31	H28	H29	120.0°	90.0°
C30	C31	H28	H30	120.0°	90.0°
C30	C31	H29	H30	120.0°	90.0°
N1	C15	C14	C13	1.3°	90.0°
N1	C15	C14	C2	179.4°	90.0°
N1	C15	C14	C33	178.2°	90.0°
N1	C15	C2	C16	11.0°	90.0°
N1	C15	C2	H2	169.0°	90.0°
N2	C19	C18	C32	179.9°	90.0°
N2	C19	C18	C17	0.1°	90.0°
C19	N2	C16	C17	0.7°	90.0°
C19	N2	C16	C2	179.6°	90.0°
N2	C19	C3	H5	179.3°	90.0°
C18	C19	N2	C16	0.3°	90.0°
C19	C18	C32	C17	179.7°	90.0°
C19	C18	C17	C16	0.5°	90.0°
C19	C18	C17	C28	179.4°	90.0°
C18	C19	C3	H5	1.2°	90.0°
C19	C18	C32	H31	90.1°	90.0°
C19	C18	C32	H32	149.8°	90.0°
C19	C18	C32	H33	29.9°	90.0°
N2	C16	C17	C18	0.7°	90.0°
N2	C16	C2	C15	11.9°	90.0°
N2	C16	C17	C2	179.8°	90.0°
N2	C16	C17	C28	179.1°	90.0°
N2	C16	C2	H2	168.1°	90.0°
C13	C14	C33	F2	86.6°	90.0°
C13	C14	C15	C33	177.0°	90.0°
C13	C14	C15	C2	179.4°	90.0°
C13	C14	C33	F	28.8°	90.0°
C13	C14	C33	F1	154.1°	90.0°
C14	C13	C30	H26	22.8°	90.0°
C14	C13	C30	H27	141.1°	90.0°
F2	C33	C14	C15	89.8°	90.0°
F2	C33	C14	F	115.4°	90.0°
F2	C33	C14	F1	119.3°	90.0°
F2	C33	F	F1	117.9°	90.0°
C29	C28	C17	C18	69.0°	90.0°
C29	C28	C17	C16	111.1°	90.0°
C29	C28	C17	H21	119.9°	90.0°
C29	C28	C17	H22	119.9°	90.0°
C29	C28	H21	H22	120.1°	90.0°
C28	C29	H23	H24	120.0°	90.0°
C28	C29	H23	H25	120.0°	90.0°
C28	C29	H24	H25	120.0°	90.0°
C32	C18	C17	C16	179.8°	90.0°
C32	C18	C17	C28	0.4°	90.0°
C18	C32	H31	H32	120.0°	90.0°
C18	C32	H31	H33	120.0°	90.0°
C18	C32	H32	H33	120.0°	90.0°
C18	C17	C16	C28	179.9°	90.0°
C18	C17	C16	C2	179.5°	90.0°
C18	C17	C28	H21	50.9°	90.0°
C18	C17	C28	H22	171.0°	90.0°
C17	C18	C32	H31	90.1°	90.0°
C17	C18	C32	H32	29.9°	90.0°
C17	C18	C32	H33	149.8°	90.0°
C14	C15	C2	C16	169.8°	90.0°
C15	C14	C33	F	154.7°	90.0°
C15	C14	C33	F1	29.5°	90.0°
C14	C15	C2	H2	10.2°	90.0°
C2	C15	C14	C33	2.4°	90.0°
C15	C2	C16	C17	168.3°	90.0°
C15	C2	C16	H2	180.0°	90.0°
C14	C33	F	F1	126.2°	90.0°
C17	C16	C2	H2	11.7°	90.0°
C16	C17	C28	H21	128.9°	90.0°
C16	C17	C28	H22	8.8°	90.0°
C2	C16	C17	C28	0.7°	90.0°
C17	C28	H21	H22	120.2°	90.0°
C17	C28	C29	H23	180.0°	90.0°
C17	C28	C29	H24	60.0°	90.0°
C17	C28	C29	H25	60.0°	90.0°
H3	C10	C9	H9	58.2°	90.0°
H3	C10	C9	H10	178.5°	90.0°
H4	C10	C9	H9	59.7°	90.0°
H4	C10	C9	H10	60.5°	90.0°
H6	C8	H7	H8	120.0°	90.0°
H14	C24	H15	H16	120.0°	90.0°
H17	C25	C26	H19	169.4°	90.0°
H17	C25	C26	H20	71.4°	90.0°
H18	C25	C26	H19	49.3°	90.0°
H18	C25	C26	H20	168.6°	90.0°
H21	C28	C29	H23	60.1°	90.0°
H21	C28	C29	H24	60.0°	90.0°
H21	C28	C29	H25	179.9°	90.0°
H22	C28	C29	H23	60.1°	90.0°
H22	C28	C29	H24	179.9°	90.0°
H22	C28	C29	H25	60.0°	90.0°
H23	C29	H24	H25	120.0°	90.0°
H26	C30	C31	H28	59.1°	90.0°
H26	C30	C31	H29	179.1°	90.0°
H26	C30	C31	H30	60.9°	90.0°
H27	C30	C31	H28	59.1°	90.0°
H27	C30	C31	H29	60.9°	90.0°
H27	C30	C31	H30	179.1°	90.0°
H28	C31	H29	H30	120.0°	90.0°
H31	C32	H32	H33	120.0°	90.0°

Release date:	2017-08-16
Definition date:	2017-05-23
Last modified:	2017-08-11
Release status:	REL
Processing site:	RCSB
Derived from:	5XL0