OEK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C24	sing	0.00Å	1.51Å
C23	C22	sing	0.00Å	1.52Å
C18	C17	sing	0.00Å	1.50Å
C18	O1	sing	0.00Å	1.42Å
C21	C22	sing	0.00Å	1.52Å
C21	C20	sing	0.00Å	1.52Å
O	C17	sing	0.00Å	1.42Å
O	C16	sing	0.00Å	1.42Å
O1	C19	sing	0.00Å	1.42Å
C15	C16	sing	0.00Å	1.50Å
C15	N1	sing	0.00Å	1.45Å
C19	C20	sing	0.00Å	1.51Å
N1	C14	sing	0.00Å	1.33Å
C25	C26	doub	0.00Å	1.38Å	Aromatic
C25	C13	sing	0.00Å	1.39Å	Aromatic
C14	O2	doub	0.00Å	1.23Å
C14	C13	sing	0.00Å	1.49Å
C26	C27	sing	0.00Å	1.40Å	Aromatic
C13	C12	doub	0.00Å	1.39Å	Aromatic
O3	C28	doub	0.00Å	1.25Å
C27	C28	sing	0.00Å	1.51Å
C27	C11	doub	0.00Å	1.41Å	Aromatic
C12	C11	sing	0.00Å	1.40Å	Aromatic
C28	O4	sing	0.00Å	1.26Å
C11	C10	sing	0.00Å	1.50Å
C30	C31	doub	0.00Å	1.38Å
C30	C29	sing	0.00Å	1.42Å
C10	C29	doub	0.00Å	1.38Å
C10	C9	sing	0.00Å	1.47Å
C8	C9	doub	0.00Å	1.39Å	Aromatic
C8	C7	sing	0.00Å	1.38Å	Aromatic
C31	C35	sing	0.00Å	1.40Å
C29	C33	sing	0.00Å	1.43Å
C9	C2	sing	0.00Å	1.40Å	Aromatic
C7	C4	doub	0.00Å	1.39Å	Aromatic
C36	N2	sing	0.00Å	1.46Å
C35	N2	doub	0.00Å	1.38Å
C35	C34	sing	0.00Å	1.41Å
C33	C34	doub	0.00Å	1.39Å
C33	C1	sing	0.00Å	1.53Å
C2	C3	doub	0.00Å	1.39Å	Aromatic
C2	C1	sing	0.00Å	1.53Å
C4	C3	sing	0.00Å	1.40Å	Aromatic
C4	N	sing	0.00Å	1.36Å
N2	C37	sing	0.00Å	1.45Å
C6	N	sing	0.00Å	1.45Å
C1	C32	sing	0.00Å	1.54Å
C1	C	sing	0.00Å	1.54Å
N	C5	sing	0.00Å	1.45Å
N1	H1	sing	0.00Å	1.00Å
C3	H2	sing	0.00Å	1.08Å
C5	H3	sing	0.00Å	1.10Å
C5	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
C6	H8	sing	0.00Å	1.10Å
C	H9	sing	0.00Å	1.10Å
C	H10	sing	0.00Å	1.10Å
C	H11	sing	0.00Å	1.10Å
C12	H13	sing	0.00Å	1.08Å
C15	H14	sing	0.00Å	1.10Å
C15	H15	sing	0.00Å	1.10Å
C16	H16	sing	0.00Å	1.10Å
C16	H17	sing	0.00Å	1.10Å
C17	H18	sing	0.00Å	1.10Å
C17	H19	sing	0.00Å	1.10Å
C18	H20	sing	0.00Å	1.10Å
C18	H21	sing	0.00Å	1.10Å
C19	H22	sing	0.00Å	1.10Å
C19	H23	sing	0.00Å	1.10Å
C20	H24	sing	0.00Å	1.10Å
C20	H25	sing	0.00Å	1.10Å
C21	H26	sing	0.00Å	1.10Å
C21	H27	sing	0.00Å	1.10Å
C22	H28	sing	0.00Å	1.10Å
C22	H29	sing	0.00Å	1.10Å
C23	H30	sing	0.00Å	1.10Å
C23	H31	sing	0.00Å	1.10Å
C24	H32	sing	0.00Å	1.10Å
C24	H33	sing	0.00Å	1.10Å
C25	H35	sing	0.00Å	1.08Å
C26	H36	sing	0.00Å	1.08Å
C30	H37	sing	0.00Å	1.08Å
C31	H38	sing	0.00Å	1.08Å
C32	H39	sing	0.00Å	1.10Å
C32	H40	sing	0.00Å	1.10Å
C32	H41	sing	0.00Å	1.10Å
C34	H42	sing	0.00Å	1.08Å
C36	H43	sing	0.00Å	1.10Å
C36	H44	sing	0.00Å	1.10Å
C36	H45	sing	0.00Å	1.10Å
C37	H46	sing	0.00Å	1.10Å
C37	H47	sing	0.00Å	1.10Å
C37	H48	sing	0.00Å	1.10Å
C7	H49	sing	0.00Å	1.08Å
C8	H50	sing	0.00Å	1.08Å
O4	H51	sing	0.00Å	0.95Å
C24	CL1	sing	0.00Å	1.38Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C23	C22	113.3°	90.0°
C24	C23	H30	108.5°	90.0°
C24	C23	H31	108.5°	90.0°
C23	C24	H32	109.0°	90.0°
C23	C24	H33	109.0°	90.0°
C23	C24	CL1	111.4°	90.0°
C23	C22	C21	114.2°	90.0°
C23	C22	H28	108.3°	90.0°
C23	C22	H29	108.3°	90.0°
C22	C23	H30	108.5°	90.0°
C22	C23	H31	108.5°	90.0°
C17	C18	O1	109.8°	90.0°
C18	C17	O	109.2°	90.0°
C18	C17	H18	109.6°	90.0°
C18	C17	H19	109.5°	90.0°
C17	C18	H20	109.4°	90.0°
C17	C18	H21	109.4°	90.0°
C18	O1	C19	113.0°	90.0°
O1	C18	H20	109.4°	90.0°
O1	C18	H21	109.4°	90.0°
C22	C21	C20	113.7°	90.0°
C22	C21	H26	108.4°	90.0°
C22	C21	H27	108.4°	90.0°
C21	C22	H28	108.3°	90.0°
C21	C22	H29	108.3°	90.0°
C21	C20	C19	113.6°	90.0°
C21	C20	H24	108.4°	90.0°
C21	C20	H25	108.4°	90.0°
C20	C21	H26	108.4°	90.0°
C20	C21	H27	108.4°	90.0°
C17	O	C16	113.0°	90.0°
O	C17	H18	109.5°	90.0°
O	C17	H19	109.5°	90.0°
O	C16	C15	109.4°	90.0°
O	C16	H16	109.5°	90.0°
O	C16	H17	109.5°	90.0°
O1	C19	C20	109.1°	90.0°
O1	C19	H22	109.6°	90.0°
O1	C19	H23	109.5°	90.0°
C16	C15	N1	111.1°	90.0°
C16	C15	H14	109.0°	90.0°
C16	C15	H15	109.1°	90.0°
C15	C16	H16	109.5°	90.0°
C15	C16	H17	109.5°	90.0°
C15	N1	C14	122.0°	90.0°
C15	N1	H1	119.0°	90.0°
N1	C15	H14	109.1°	90.0°
N1	C15	H15	109.1°	90.0°
C20	C19	H22	109.6°	90.0°
C20	C19	H23	109.6°	90.0°
C19	C20	H24	108.4°	90.0°
C19	C20	H25	108.4°	90.0°
N1	C14	O2	122.4°	90.0°
N1	C14	C13	116.8°	90.0°
C14	N1	H1	119.0°	90.0°
C26	C25	C13	120.6°	90.0°
C25	C26	C27	120.9°	90.0°
C26	C25	H35	119.7°	90.0°
C25	C26	H36	119.6°	90.0°
C25	C13	C14	121.8°	90.0°
C25	C13	C12	119.2°	90.0°
C13	C25	H35	119.7°	90.0°
O2	C14	C13	120.8°	90.0°
C14	C13	C12	119.0°	90.0°
C26	C27	C28	115.2°	90.0°
C26	C27	C11	119.1°	90.0°
C27	C26	H36	119.6°	90.0°
C13	C12	C11	121.1°	90.0°
C13	C12	H13	119.5°	90.0°
O3	C28	C27	117.7°	90.0°
O3	C28	O4	123.8°	90.0°
C28	C27	C11	125.6°	90.0°
C27	C28	O4	118.6°	90.0°
C27	C11	C12	119.1°	90.0°
C27	C11	C10	123.1°	90.0°
C12	C11	C10	117.7°	90.0°
C11	C12	H13	119.5°	90.0°
C28	O4	H51	109.5°	90.0°
C11	C10	C29	121.5°	90.0°
C11	C10	C9	116.4°	90.0°
C31	C30	C29	121.1°	90.0°
C30	C31	C35	120.9°	90.0°
C31	C30	H37	119.4°	90.0°
C30	C31	H38	119.5°	90.0°
C30	C29	C10	120.8°	90.0°
C30	C29	C33	118.3°	90.0°
C29	C30	H37	119.4°	90.0°
C29	C10	C9	122.1°	90.0°
C10	C29	C33	120.9°	90.0°
C10	C9	C8	121.3°	90.0°
C10	C9	C2	119.3°	90.0°
C9	C8	C7	121.0°	90.0°
C8	C9	C2	119.4°	90.0°
C9	C8	H50	119.5°	90.0°
C8	C7	C4	120.7°	90.0°
C8	C7	H49	119.7°	90.0°
C7	C8	H50	119.5°	90.0°
C31	C35	N2	120.8°	90.0°
C31	C35	C34	118.5°	90.0°
C35	C31	H38	119.5°	90.0°
C29	C33	C34	119.2°	90.0°
C29	C33	C1	121.6°	90.0°
C9	C2	C3	118.9°	90.0°
C9	C2	C1	122.5°	90.0°
C7	C4	C3	118.3°	90.0°
C7	C4	N	120.8°	90.0°
C4	C7	H49	119.7°	90.0°
C36	N2	C35	120.4°	90.0°
C36	N2	C37	114.4°	90.0°
N2	C36	H43	109.5°	90.0°
N2	C36	H44	109.5°	90.0°
N2	C36	H45	109.5°	90.0°
N2	C35	C34	120.6°	90.0°
C35	N2	C37	120.4°	90.0°
C35	C34	C33	121.9°	90.0°
C35	C34	H42	119.0°	90.0°
C34	C33	C1	119.2°	90.0°
C33	C34	H42	119.1°	90.0°
C33	C1	C2	113.6°	90.0°
C33	C1	C32	108.6°	90.0°
C33	C1	C	108.7°	90.0°
C3	C2	C1	118.7°	90.0°
C2	C3	C4	121.8°	90.0°
C2	C3	H2	119.1°	90.0°
C2	C1	C32	108.8°	90.0°
C2	C1	C	108.6°	90.0°
C3	C4	N	120.9°	90.0°
C4	C3	H2	119.1°	90.0°
C4	N	C6	119.8°	90.0°
C4	N	C5	120.1°	90.0°
N2	C37	H46	109.5°	90.0°
N2	C37	H47	109.5°	90.0°
N2	C37	H48	109.4°	90.0°
C6	N	C5	114.4°	90.0°
N	C6	H6	109.5°	90.0°
N	C6	H7	109.5°	90.0°
N	C6	H8	109.5°	90.0°
C32	C1	C	108.6°	90.0°
C1	C32	H39	109.5°	90.0°
C1	C32	H40	109.5°	90.0°
C1	C32	H41	109.5°	90.0°
C1	C	H9	109.5°	90.0°
C1	C	H10	109.5°	90.0°
C1	C	H11	109.5°	90.0°
N	C5	H3	109.5°	90.0°
N	C5	H4	109.5°	90.0°
N	C5	H5	109.4°	90.0°
H3	C5	H4	109.5°	90.0°
H3	C5	H5	109.5°	90.0°
H4	C5	H5	109.5°	90.0°
H6	C6	H7	109.4°	90.0°
H6	C6	H8	109.4°	90.0°
H7	C6	H8	109.5°	90.0°
H9	C	H10	109.5°	90.0°
H9	C	H11	109.5°	90.0°
H10	C	H11	109.4°	90.0°
H14	C15	H15	109.5°	90.0°
H16	C16	H17	109.4°	90.0°
H18	C17	H19	109.5°	90.0°
H20	C18	H21	109.4°	90.0°
H22	C19	H23	109.5°	90.0°
H24	C20	H25	109.5°	90.0°
H26	C21	H27	109.4°	90.0°
H28	C22	H29	109.5°	90.0°
H30	C23	H31	109.5°	90.0°
H32	C24	H33	109.5°	90.0°
H32	C24	CL1	109.0°	90.0°
H33	C24	CL1	109.0°	90.0°
H39	C32	H40	109.4°	90.0°
H39	C32	H41	109.5°	90.0°
H40	C32	H41	109.5°	90.0°
H43	C36	H44	109.4°	90.0°
H43	C36	H45	109.4°	90.0°
H44	C36	H45	109.5°	90.0°
H46	C37	H47	109.5°	90.0°
H46	C37	H48	109.5°	90.0°
H47	C37	H48	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C23	C22	H30	120.6°	90.0°
C24	C23	C22	H31	120.6°	90.0°
C24	C23	C22	C21	166.1°	90.0°
C24	C23	C22	H28	45.4°	90.0°
C24	C23	C22	H29	73.2°	90.0°
C24	C23	H30	H31	118.3°	90.0°
C23	C24	H32	H33	119.1°	90.0°
C23	C24	H32	CL1	121.8°	90.0°
C23	C24	H33	CL1	121.8°	90.0°
C23	C22	C21	H28	120.7°	90.0°
C23	C22	C21	H29	120.7°	90.0°
C23	C22	C21	C20	173.5°	90.0°
C23	C22	C21	H26	65.9°	90.0°
C23	C22	C21	H27	52.8°	90.0°
C23	C22	H28	H29	117.8°	90.0°
C22	C23	H30	H31	118.2°	90.0°
C22	C23	C24	H32	165.5°	90.0°
C22	C23	C24	H33	46.1°	90.0°
C22	C23	C24	CL1	74.2°	90.0°
C17	C18	O1	H20	120.1°	90.0°
C17	C18	O1	H21	120.1°	90.0°
C18	C17	O	H18	120.0°	90.0°
C18	C17	O	H19	119.9°	90.0°
C18	C17	O	C16	172.7°	90.0°
C17	C18	O1	C19	104.0°	90.0°
C18	C17	H18	H19	120.1°	90.0°
C17	C18	H20	H21	119.9°	90.0°
O1	C18	C17	O	74.8°	90.0°
C18	O1	C19	C20	154.5°	90.0°
O1	C18	C17	H18	165.3°	90.0°
O1	C18	C17	H19	45.2°	90.0°
O1	C18	H20	H21	119.8°	90.0°
C18	O1	C19	H22	85.5°	90.0°
C18	O1	C19	H23	34.6°	90.0°
C22	C21	C20	H26	120.6°	90.0°
C22	C21	C20	H27	120.6°	90.0°
C22	C21	C20	C19	172.3°	90.0°
C22	C21	C20	H24	51.8°	90.0°
C22	C21	C20	H25	67.1°	90.0°
C22	C21	H26	H27	118.0°	90.0°
C21	C22	H28	H29	117.8°	90.0°
C21	C22	C23	H30	73.3°	90.0°
C21	C22	C23	H31	45.5°	90.0°
C21	C20	C19	O1	54.1°	90.0°
C21	C20	C19	H24	120.6°	90.0°
C21	C20	C19	H25	120.6°	90.0°
C21	C20	C19	H22	174.1°	90.0°
C21	C20	C19	H23	65.8°	90.0°
C21	C20	H24	H25	118.1°	90.0°
C20	C21	H26	H27	118.1°	90.0°
C20	C21	C22	H28	52.8°	90.0°
C20	C21	C22	H29	65.8°	90.0°
C17	O	C16	C15	179.9°	90.0°
C17	O	C16	H16	59.9°	90.0°
C17	O	C16	H17	60.1°	90.0°
O	C17	H18	H19	120.1°	90.0°
O	C17	C18	H20	165.2°	90.0°
O	C17	C18	H21	45.3°	90.0°
O	C16	C15	H16	120.0°	90.0°
O	C16	C15	H17	120.0°	90.0°
O	C16	C15	N1	177.3°	90.0°
O	C16	C15	H14	62.4°	90.0°
O	C16	C15	H15	57.1°	90.0°
O	C16	H16	H17	120.0°	90.0°
C16	O	C17	H18	67.3°	90.0°
C16	O	C17	H19	52.7°	90.0°
O1	C19	C20	H22	119.9°	90.0°
O1	C19	C20	H23	119.9°	90.0°
C19	O1	C18	H20	16.1°	90.0°
C19	O1	C18	H21	136.0°	90.0°
O1	C19	H22	H23	120.1°	90.0°
O1	C19	C20	H24	174.7°	90.0°
O1	C19	C20	H25	66.5°	90.0°
C16	C15	N1	H14	120.3°	90.0°
C16	C15	N1	H15	120.2°	90.0°
C16	C15	N1	C14	88.0°	90.0°
C16	C15	N1	H1	92.0°	90.0°
C16	C15	H14	H15	119.2°	90.0°
C15	C16	H16	H17	120.0°	90.0°
C15	N1	C14	H1	180.0°	90.0°
C15	N1	C14	O2	1.5°	90.0°
C15	N1	C14	C13	177.5°	90.0°
N1	C15	H14	H15	119.3°	90.0°
N1	C15	C16	H16	57.3°	90.0°
N1	C15	C16	H17	62.7°	90.0°
C20	C19	H22	H23	120.2°	90.0°
C19	C20	H24	H25	118.1°	90.0°
C19	C20	C21	H26	67.0°	90.0°
C19	C20	C21	H27	51.7°	90.0°
N1	C14	C13	C25	34.0°	90.0°
N1	C14	O2	C13	179.0°	90.0°
N1	C14	C13	C12	146.8°	90.0°
C14	N1	C15	H14	32.3°	90.0°
C14	N1	C15	H15	151.8°	90.0°
C26	C25	C13	H35	180.0°	90.0°
C26	C25	C13	C14	179.3°	90.0°
C25	C26	C27	H36	180.0°	90.0°
C26	C25	C13	C12	0.1°	90.0°
C25	C26	C27	C28	179.6°	90.0°
C25	C26	C27	C11	0.2°	90.0°
C25	C13	C14	O2	146.9°	90.0°
C25	C13	C14	C12	179.2°	90.0°
C13	C25	C26	C27	0.1°	90.0°
C25	C13	C12	C11	0.2°	90.0°
C25	C13	C12	H13	179.8°	90.0°
C13	C25	C26	H36	179.9°	90.0°
O2	C14	C13	C12	32.3°	90.0°
O2	C14	N1	H1	178.6°	90.0°
C14	C13	C12	C11	179.1°	90.0°
C13	C14	N1	H1	2.4°	90.0°
C14	C13	C12	H13	0.9°	90.0°
C14	C13	C25	H35	0.7°	90.0°
C26	C27	C28	O3	2.3°	90.0°
C26	C27	C28	C11	179.4°	90.0°
C26	C27	C11	C12	0.5°	90.0°
C26	C27	C28	O4	178.9°	90.0°
C26	C27	C11	C10	176.1°	90.0°
C27	C26	C25	H35	179.9°	90.0°
C13	C12	C11	C27	0.4°	90.0°
C13	C12	C11	H13	180.0°	90.0°
C13	C12	C11	C10	176.3°	90.0°
C12	C13	C25	H35	179.9°	90.0°
O3	C28	C27	O4	178.7°	90.0°
O3	C28	C27	C11	177.0°	90.0°
O3	C28	O4	H51	0.0°	90.0°
C28	C27	C11	C12	179.8°	90.0°
C28	C27	C11	C10	3.2°	90.0°
C28	C27	C26	H36	0.4°	90.0°
C27	C28	O4	H51	178.6°	90.0°
C27	C11	C12	C10	176.8°	90.0°
C11	C27	C28	O4	1.7°	90.0°
C27	C11	C10	C29	109.8°	90.0°
C27	C11	C10	C9	70.1°	90.0°
C27	C11	C12	H13	179.6°	90.0°
C11	C27	C26	H36	179.8°	90.0°
C12	C11	C10	C29	73.6°	90.0°
C12	C11	C10	C9	106.6°	90.0°
C11	C10	C29	C30	0.9°	90.0°
C11	C10	C29	C9	179.9°	90.0°
C11	C10	C9	C8	0.6°	90.0°
C11	C10	C29	C33	179.2°	90.0°
C11	C10	C9	C2	179.9°	90.0°
C10	C11	C12	H13	3.7°	90.0°
C31	C30	C29	H37	180.0°	90.0°
C31	C30	C29	C10	179.3°	90.0°
C30	C31	C35	H38	180.0°	90.0°
C31	C30	C29	C33	0.7°	90.0°
C30	C31	C35	N2	179.4°	90.0°
C30	C31	C35	C34	0.6°	90.0°
C30	C29	C10	C33	180.0°	90.0°
C30	C29	C10	C9	179.0°	90.0°
C29	C30	C31	C35	0.1°	90.0°
C30	C29	C33	C34	0.9°	90.0°
C30	C29	C33	C1	178.9°	90.0°
C29	C30	C31	H38	180.0°	90.0°
C29	C10	C9	C8	179.3°	90.0°
C29	C10	C9	C2	0.2°	90.0°
C10	C29	C33	C34	179.1°	90.0°
C10	C29	C33	C1	1.1°	90.0°
C10	C29	C30	H37	0.7°	90.0°
C10	C9	C8	C2	179.5°	90.0°
C10	C9	C8	C7	179.0°	90.0°
C9	C10	C29	C33	1.0°	90.0°
C10	C9	C2	C3	179.4°	90.0°
C10	C9	C2	C1	0.4°	90.0°
C10	C9	C8	H50	1.0°	90.0°
C9	C8	C7	H50	180.0°	90.0°
C9	C8	C7	C4	0.4°	90.0°
C8	C9	C2	C3	0.2°	90.0°
C8	C9	C2	C1	179.9°	90.0°
C9	C8	C7	H49	179.6°	90.0°
C7	C8	C9	C2	0.5°	90.0°
C8	C7	C4	H49	180.0°	90.0°
C8	C7	C4	C3	0.1°	90.0°
C8	C7	C4	N	179.6°	90.0°
C31	C35	N2	C36	0.7°	90.0°
C31	C35	N2	C34	180.0°	90.0°
C31	C35	C34	C33	0.4°	90.0°
C31	C35	N2	C37	153.4°	90.0°
C35	C31	C30	H37	179.9°	90.0°
C31	C35	C34	H42	179.6°	90.0°
C29	C33	C34	C35	0.4°	90.0°
C29	C33	C34	C1	179.8°	90.0°
C29	C33	C1	C2	0.5°	90.0°
C29	C33	C1	C32	120.6°	90.0°
C29	C33	C1	C	121.4°	90.0°
C33	C29	C30	H37	179.3°	90.0°
C29	C33	C34	H42	179.6°	90.0°
C9	C2	C1	C33	0.2°	90.0°
C9	C2	C3	C1	179.8°	90.0°
C9	C2	C3	C4	0.4°	90.0°
C9	C2	C1	C32	121.3°	90.0°
C9	C2	C1	C	120.7°	90.0°
C9	C2	C3	H2	179.7°	90.0°
C2	C9	C8	H50	179.5°	90.0°
C7	C4	C3	C2	0.5°	90.0°
C7	C4	C3	N	179.5°	90.0°
C7	C4	N	C6	29.9°	90.0°
C7	C4	N	C5	178.4°	90.0°
C7	C4	C3	H2	179.5°	90.0°
C4	C7	C8	H50	179.6°	90.0°
C36	N2	C35	C37	154.0°	90.0°
C36	N2	C35	C34	179.3°	90.0°
N2	C36	H43	H44	120.0°	90.0°
N2	C36	H43	H45	120.0°	90.0°
N2	C36	H44	H45	120.0°	90.0°
C36	N2	C37	H46	180.0°	90.0°
C36	N2	C37	H47	60.0°	90.0°
C36	N2	C37	H48	60.0°	90.0°
N2	C35	C34	C33	179.6°	90.0°
N2	C35	C31	H38	0.6°	90.0°
N2	C35	C34	H42	0.4°	90.0°
C35	N2	C36	H43	180.0°	90.0°
C35	N2	C36	H44	60.0°	90.0°
C35	N2	C36	H45	60.0°	90.0°
C35	N2	C37	H46	24.5°	90.0°
C35	N2	C37	H47	144.5°	90.0°
C35	N2	C37	H48	95.5°	90.0°
C35	C34	C33	H42	180.0°	90.0°
C35	C34	C33	C1	179.4°	90.0°
C34	C35	N2	C37	26.6°	90.0°
C34	C35	C31	H38	179.4°	90.0°
C34	C33	C1	C2	179.7°	90.0°
C34	C33	C1	C32	59.2°	90.0°
C34	C33	C1	C	58.8°	90.0°
C33	C1	C2	C3	179.5°	90.0°
C33	C1	C2	C32	121.0°	90.0°
C33	C1	C2	C	121.0°	90.0°
C33	C1	C32	C	118.0°	90.0°
C33	C1	C	H9	180.0°	90.0°
C33	C1	C	H10	60.0°	90.0°
C33	C1	C	H11	60.0°	90.0°
C33	C1	C32	H39	180.0°	90.0°
C33	C1	C32	H40	60.0°	90.0°
C33	C1	C32	H41	60.0°	90.0°
C1	C33	C34	H42	0.6°	90.0°
C2	C3	C4	H2	180.0°	90.0°
C2	C3	C4	N	180.0°	90.0°
C3	C2	C1	C32	58.5°	90.0°
C3	C2	C1	C	59.5°	90.0°
C1	C2	C3	C4	179.4°	90.0°
C2	C1	C32	C	118.0°	90.0°
C1	C2	C3	H2	0.6°	90.0°
C2	C1	C	H9	56.0°	90.0°
C2	C1	C	H10	176.1°	90.0°
C2	C1	C	H11	64.0°	90.0°
C2	C1	C32	H39	56.0°	90.0°
C2	C1	C32	H40	64.0°	90.0°
C2	C1	C32	H41	176.0°	90.0°
C3	C4	N	C6	150.7°	90.0°
C3	C4	N	C5	1.0°	90.0°
C3	C4	C7	H49	179.9°	90.0°
C4	N	C6	C5	153.2°	90.0°
N	C4	C3	H2	0.1°	90.0°
C4	N	C5	H3	180.0°	90.0°
C4	N	C5	H4	60.0°	90.0°
C4	N	C5	H5	60.0°	90.0°
C4	N	C6	H6	180.0°	90.0°
C4	N	C6	H7	60.0°	90.0°
C4	N	C6	H8	60.0°	90.0°
N	C4	C7	H49	0.4°	90.0°
C37	N2	C36	H43	24.5°	90.0°
C37	N2	C36	H44	144.5°	90.0°
C37	N2	C36	H45	95.5°	90.0°
N2	C37	H46	H47	120.0°	90.0°
N2	C37	H46	H48	120.0°	90.0°
N2	C37	H47	H48	120.0°	90.0°
C6	N	C5	H3	26.9°	90.0°
C6	N	C5	H4	93.2°	90.0°
C6	N	C5	H5	146.9°	90.0°
N	C6	H6	H7	120.0°	90.0°
N	C6	H6	H8	120.0°	90.0°
N	C6	H7	H8	120.0°	90.0°
C32	C1	C	H9	62.1°	90.0°
C32	C1	C	H10	57.9°	90.0°
C32	C1	C	H11	177.9°	90.0°
C1	C32	H39	H40	120.0°	90.0°
C1	C32	H39	H41	120.0°	90.0°
C1	C32	H40	H41	120.0°	90.0°
C1	C	H9	H10	120.0°	90.0°
C1	C	H9	H11	120.0°	90.0°
C1	C	H10	H11	120.0°	90.0°
C	C1	C32	H39	62.0°	90.0°
C	C1	C32	H40	178.0°	90.0°
C	C1	C32	H41	58.0°	90.0°
N	C5	H3	H4	120.0°	90.0°
N	C5	H3	H5	120.0°	90.0°
N	C5	H4	H5	119.9°	90.0°
C5	N	C6	H6	26.8°	90.0°
C5	N	C6	H7	146.7°	90.0°
C5	N	C6	H8	93.2°	90.0°
H1	N1	C15	H14	147.8°	90.0°
H1	N1	C15	H15	28.2°	90.0°
H3	C5	H4	H5	120.0°	90.0°
H6	C6	H7	H8	120.0°	90.0°
H9	C	H10	H11	120.0°	90.0°
H14	C15	C16	H16	177.6°	90.0°
H14	C15	C16	H17	57.6°	90.0°
H15	C15	C16	H16	62.9°	90.0°
H15	C15	C16	H17	177.1°	90.0°
H18	C17	C18	H20	45.2°	90.0°
H18	C17	C18	H21	74.7°	90.0°
H19	C17	C18	H20	74.9°	90.0°
H19	C17	C18	H21	165.2°	90.0°
H22	C19	C20	H24	65.3°	90.0°
H22	C19	C20	H25	53.5°	90.0°
H23	C19	C20	H24	54.8°	90.0°
H23	C19	C20	H25	173.6°	90.0°
H24	C20	C21	H26	172.4°	90.0°
H24	C20	C21	H27	68.9°	90.0°
H25	C20	C21	H26	53.6°	90.0°
H25	C20	C21	H27	172.3°	90.0°
H26	C21	C22	H28	173.4°	90.0°
H26	C21	C22	H29	54.8°	90.0°
H27	C21	C22	H28	67.9°	90.0°
H27	C21	C22	H29	173.5°	90.0°
H28	C22	C23	H30	166.0°	90.0°
H28	C22	C23	H31	75.2°	90.0°
H29	C22	C23	H30	47.4°	90.0°
H29	C22	C23	H31	166.2°	90.0°
H30	C23	C24	H32	45.0°	90.0°
H30	C23	C24	H33	74.4°	90.0°
H30	C23	C24	CL1	165.3°	90.0°
H31	C23	C24	H32	73.9°	90.0°
H31	C23	C24	H33	166.6°	90.0°
H31	C23	C24	CL1	46.4°	90.0°
H32	C24	H33	CL1	119.1°	90.0°
H35	C25	C26	H36	0.0°	90.0°
H37	C30	C31	H38	0.1°	90.0°
H39	C32	H40	H41	120.0°	90.0°
H43	C36	H44	H45	120.0°	90.0°
H46	C37	H47	H48	120.0°	90.0°
H49	C7	C8	H50	0.4°	90.0°

Release date:	2021-03-31
Definition date:	2020-02-28
Last modified:	2021-03-26
Release status:	REL
Processing site:	PDBE
Derived from:	6Y7B