KJT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C5	doub	1.36Å	1.39Å	Aromatic
C6	C7	sing	1.39Å	1.39Å	Aromatic
C5	C4	sing	1.41Å	1.39Å	Aromatic
C7	C8	doub	1.36Å	1.38Å	Aromatic
C4	C3	doub	1.40Å	1.40Å	Aromatic
C4	C9	sing	1.42Å	1.41Å	Aromatic
C3	C2	sing	1.36Å	1.39Å	Aromatic
C8	C9	sing	1.41Å	1.39Å	Aromatic
C9	C10	doub	1.40Å	1.40Å	Aromatic
C2	C1	doub	1.39Å	1.40Å	Aromatic
C10	C1	sing	1.36Å	1.39Å	Aromatic
C1	S1	sing	1.76Å	1.73Å
C14	C15	sing	1.53Å	1.55Å
C14	C13	sing	1.53Å	1.54Å
C15	N2	sing	1.47Å	1.47Å
C13	C12	sing	1.53Å	1.51Å
N1	S1	sing	1.66Å	1.73Å
N1	C24	sing	1.47Å	50.56Å
N1	C11	sing	1.46Å	1.48Å
S1	O1	doub	1.42Å	1.55Å
S1	O2	doub	1.42Å	1.54Å
C12	C11	sing	1.53Å	1.53Å
C12	C16	sing	1.53Å	1.51Å
C20	C19	doub	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.38Å	1.40Å	Aromatic
N2	C16	sing	1.47Å	1.48Å
N2	C17	sing	1.47Å	1.48Å
C19	C18	sing	1.38Å	1.40Å	Aromatic
C21	C22	doub	1.38Å	1.40Å	Aromatic
C18	C17	sing	1.51Å	1.40Å
C18	C23	doub	1.38Å	1.40Å	Aromatic
C22	C23	sing	1.38Å	1.39Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C23	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
C15	H17	sing	1.09Å	1.10Å
C16	H18	sing	1.09Å	1.10Å
C16	H19	sing	1.09Å	1.10Å
C12	H20	sing	1.09Å	1.10Å
C17	H21	sing	1.09Å	1.10Å
C17	H22	sing	1.09Å	1.10Å
C11	H23	sing	1.09Å	1.10Å
C11	H24	sing	1.09Å	1.10Å
C24	H25	sing	1.09Å	50.27Å
C24	H26	sing	1.09Å	48.90Å
C3	H28	sing	1.08Å	1.08Å
C24	C25	sing	1.53Å	0.00Å
O3	C25	sing	1.43Å	0.00Å
C27	C26	sing	1.53Å	0.00Å
C26	O3	sing	1.43Å	0.00Å
O4	C27	sing	1.43Å	0.00Å
C28	C29	sing	1.53Å	0.00Å
O4	C28	sing	1.43Å	0.00Å
C29	N3	sing	1.47Å	0.00Å
N3	C30	sing	1.47Å	0.00Å
C30	O5	sing	1.43Å	0.00Å
C33	C32	sing	1.51Å	0.00Å
C32	C31	sing	1.51Å	0.00Å
C31	C40	sing	1.53Å	0.00Å
C30	C31	sing	1.53Å	0.00Å
C32	O6	doub	1.21Å	0.00Å
C39	C38	sing	1.53Å	0.00Å
C38	C37	sing	1.53Å	0.00Å
C37	C36	sing	1.51Å	0.00Å
C39	C40	sing	1.53Å	0.00Å
C36	N4	doub	1.28Å	0.00Å
N4	C43	sing	1.47Å	0.00Å
N4	C41	sing	1.47Å	0.00Å
C41	C42	sing	1.53Å	0.00Å
C43	C44	sing	1.53Å	0.00Å
C26	H30	sing	1.09Å	0.00Å
C26	H31	sing	1.09Å	0.00Å
C28	H34	sing	1.09Å	0.00Å
C28	H35	sing	1.09Å	0.00Å
N3	H36	sing	1.01Å	0.00Å
O5	H38	sing	0.97Å	0.00Å
C31	H40	sing	1.09Å	0.00Å
C38	H42	sing	1.09Å	0.00Å
C37	H43	sing	1.09Å	0.00Å
C37	H44	sing	1.09Å	0.00Å
C36	C35	sing	1.51Å	0.00Å
C40	H49	sing	1.09Å	0.00Å
C41	H52	sing	1.09Å	0.00Å
C41	H53	sing	1.09Å	0.00Å
C42	H54	sing	1.09Å	0.00Å
C42	H55	sing	1.09Å	0.00Å
C44	H56	sing	1.09Å	0.00Å
C44	H57	sing	1.09Å	0.00Å
C44	H58	sing	1.09Å	0.00Å
C35	C34	sing	1.53Å	0.00Å
C34	C33	sing	1.54Å	0.00Å
C39	C34	sing	1.53Å	0.00Å
C25	H46	sing	1.09Å	0.00Å
C25	H47	sing	1.09Å	0.00Å
C27	H27	sing	1.09Å	0.00Å
C27	H29	sing	1.09Å	0.00Å
C29	H32	sing	1.09Å	0.00Å
C29	H33	sing	1.09Å	0.00Å
C30	H37	sing	1.09Å	0.00Å
C33	H39	sing	1.09Å	0.00Å
C33	H41	sing	1.09Å	0.00Å
C39	H48	sing	1.09Å	0.00Å
C38	H59	sing	1.09Å	0.00Å
C35	H45	sing	1.09Å	0.00Å
C35	H60	sing	1.09Å	0.00Å
C34	H61	sing	1.09Å	0.00Å
C40	H62	sing	1.09Å	0.00Å
C43	H50	sing	1.09Å	0.00Å
C43	H51	sing	1.09Å	0.00Å
C42	H63	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C6	C7	120.8°	121.0°
C6	C5	C4	119.4°	119.6°
C5	C6	H1	119.6°	119.5°
C6	C5	H5	120.3°	120.2°
C6	C7	C8	120.1°	121.0°
C7	C6	H1	119.6°	119.5°
C6	C7	H2	120.0°	119.5°
C5	C4	C3	119.8°	121.3°
C5	C4	C9	119.6°	119.3°
C4	C5	H5	120.3°	120.2°
C7	C8	C9	119.6°	119.7°
C8	C7	H2	119.9°	119.5°
C7	C8	H6	120.2°	120.2°
C3	C4	C9	120.5°	119.4°
C4	C3	C2	119.0°	119.6°
C4	C3	H28	120.5°	120.2°
C4	C9	C8	120.4°	119.3°
C4	C9	C10	120.4°	119.3°
C3	C2	C1	120.3°	121.0°
C3	C2	H11	119.9°	119.5°
C2	C3	H28	120.5°	120.1°
C8	C9	C10	119.2°	121.3°
C9	C8	H6	120.2°	120.1°
C9	C10	C1	118.3°	119.7°
C9	C10	H9	120.8°	120.2°
C2	C1	C10	121.5°	121.0°
C2	C1	S1	116.8°	119.5°
C1	C2	H11	119.9°	119.5°
C10	C1	S1	121.6°	119.5°
C1	C10	H9	120.9°	120.2°
C1	S1	N1	108.3°	107.2°
C1	S1	O1	104.1°	106.4°
C1	S1	O2	110.6°	106.4°
C15	C14	C13	112.0°	109.3°
C14	C15	N2	110.1°	109.5°
C15	C14	H12	108.8°	109.5°
C15	C14	H13	108.9°	109.5°
C14	C15	H16	109.3°	109.4°
C14	C15	H17	109.3°	109.5°
C14	C13	C12	107.5°	109.2°
C13	C14	H12	108.8°	109.5°
C13	C14	H13	108.8°	109.5°
C14	C13	H14	110.0°	109.6°
C14	C13	H15	110.0°	109.5°
C15	N2	C16	112.3°	111.3°
C15	N2	C17	111.1°	111.0°
N2	C15	H16	109.3°	109.4°
N2	C15	H17	109.3°	109.5°
C13	C12	C11	112.4°	109.5°
C13	C12	C16	108.9°	109.3°
C12	C13	H14	110.0°	109.5°
C12	C13	H15	109.9°	109.5°
C13	C12	H20	108.7°	109.5°
S1	N1	C24	117.6°	120.0°
S1	N1	C11	110.8°	120.0°
N1	S1	O1	106.2°	106.4°
N1	S1	O2	115.6°	106.4°
C24	N1	C11	62.7°	120.0°
N1	C24	H25	2.4°	109.5°
N1	C24	H26	1.5°	109.5°
N1	C24	C25	90.0°	109.4°
N1	C11	C12	109.4°	109.5°
N1	C11	H23	109.5°	109.5°
N1	C11	H24	109.5°	109.5°
O1	S1	O2	111.2°	123.1°
C11	C12	C16	109.7°	109.5°
C11	C12	H20	108.4°	109.5°
C12	C11	H23	109.5°	109.5°
C12	C11	H24	109.5°	109.5°
C12	C16	N2	112.0°	109.5°
C12	C16	H18	108.8°	109.5°
C12	C16	H19	108.8°	109.4°
C16	C12	H20	108.6°	109.5°
C19	C20	C21	119.5°	120.0°
C20	C19	C18	120.3°	120.0°
C19	C20	H4	120.3°	120.0°
C20	C19	H8	119.8°	120.0°
C20	C21	C22	120.2°	120.0°
C21	C20	H4	120.2°	120.0°
C20	C21	H10	119.9°	120.0°
C16	N2	C17	107.9°	111.0°
N2	C16	H18	108.8°	109.5°
N2	C16	H19	108.8°	109.4°
N2	C17	C18	110.5°	109.5°
N2	C17	H21	109.2°	109.4°
N2	C17	H22	109.2°	109.4°
C19	C18	C17	120.3°	120.0°
C19	C18	C23	120.1°	120.0°
C18	C19	H8	119.9°	120.0°
C21	C22	C23	120.6°	120.0°
C21	C22	H3	119.7°	120.0°
C22	C21	H10	119.9°	120.0°
C17	C18	C23	119.7°	120.0°
C18	C17	H21	109.2°	109.5°
C18	C17	H22	109.2°	109.5°
C18	C23	C22	119.3°	120.0°
C18	C23	H7	120.3°	120.0°
C23	C22	H3	119.7°	120.0°
C22	C23	H7	120.4°	120.0°
H12	C14	H13	109.5°	109.5°
H14	C13	H15	109.5°	109.5°
H16	C15	H17	109.5°	109.5°
H18	C16	H19	109.5°	109.5°
H21	C17	H22	109.5°	109.5°
H23	C11	H24	109.5°	109.4°
H25	C24	H26	1.3°	109.5°
H25	C24	C25	90.0°	109.5°
H26	C24	C25	90.0°	109.4°
C24	C25	O3	90.0°	109.5°
C24	C25	H46	90.0°	109.5°
C24	C25	H47	90.0°	109.5°
C25	O3	C26	90.0°	114.0°
O3	C25	H46	90.0°	109.5°
O3	C25	H47	90.0°	109.5°
C27	C26	O3	90.0°	109.5°
C26	C27	O4	90.0°	109.5°
C27	C26	H30	90.0°	109.5°
C27	C26	H31	90.0°	109.4°
C26	C27	H27	90.0°	109.5°
C26	C27	H29	90.0°	109.4°
O3	C26	H30	90.0°	109.5°
O3	C26	H31	90.0°	109.5°
C27	O4	C28	90.0°	114.0°
O4	C27	H27	90.0°	109.5°
O4	C27	H29	90.0°	109.5°
C29	C28	O4	90.0°	109.5°
C28	C29	N3	90.0°	109.5°
C29	C28	H34	90.0°	109.5°
C29	C28	H35	90.0°	109.5°
C28	C29	H32	90.0°	109.4°
C28	C29	H33	90.0°	109.5°
O4	C28	H34	90.0°	109.5°
O4	C28	H35	90.0°	109.4°
C29	N3	C30	90.0°	111.0°
C29	N3	H36	90.0°	111.0°
N3	C29	H32	90.0°	109.5°
N3	C29	H33	90.0°	109.5°
N3	C30	O5	90.0°	109.5°
N3	C30	C31	90.0°	109.5°
C30	N3	H36	90.0°	111.0°
N3	C30	H37	90.0°	109.5°
O5	C30	C31	90.0°	109.4°
C30	O5	H38	90.0°	114.0°
O5	C30	H37	90.0°	109.5°
C33	C32	C31	90.0°	117.9°
C33	C32	O6	90.0°	121.1°
C32	C33	C34	90.0°	109.1°
C32	C33	H39	90.0°	109.6°
C32	C33	H41	90.0°	109.5°
C32	C31	C40	90.0°	108.0°
C32	C31	C30	90.0°	109.8°
C31	C32	O6	90.0°	121.0°
C32	C31	H40	90.0°	109.8°
C40	C31	C30	90.0°	109.7°
C31	C40	C39	90.0°	110.2°
C40	C31	H40	90.0°	109.7°
C31	C40	H49	90.0°	109.4°
C31	C40	H62	90.0°	109.4°
C30	C31	H40	90.0°	109.8°
C31	C30	H37	90.0°	109.5°
C39	C38	C37	90.0°	109.9°
C38	C39	C40	90.0°	107.9°
C39	C38	H42	90.0°	109.4°
C38	C39	C34	90.0°	110.2°
C38	C39	H48	90.0°	109.6°
C39	C38	H59	90.0°	109.4°
C38	C37	C36	90.0°	108.1°
C37	C38	H42	90.0°	109.4°
C38	C37	H43	90.0°	109.7°
C38	C37	H44	90.0°	109.8°
C37	C38	H59	90.0°	109.4°
C37	C36	N4	90.0°	121.1°
C36	C37	H43	90.0°	109.7°
C36	C37	H44	90.0°	109.7°
C37	C36	C35	90.0°	117.8°
C39	C40	H49	90.0°	109.1°
C40	C39	C34	90.0°	110.2°
C40	C39	H48	90.0°	109.5°
C39	C40	H62	90.0°	109.4°
C36	N4	C43	90.0°	120.0°
C36	N4	C41	90.0°	120.0°
N4	C36	C35	90.0°	121.2°
C43	N4	C41	90.0°	120.0°
N4	C43	C44	90.0°	109.5°
N4	C43	H50	90.0°	109.4°
N4	C43	H51	90.0°	109.4°
N4	C41	C42	90.0°	109.5°
N4	C41	H52	90.0°	109.4°
N4	C41	H53	90.0°	109.4°
C42	C41	H52	90.0°	109.5°
C42	C41	H53	90.0°	109.5°
C41	C42	H54	90.0°	109.5°
C41	C42	H55	90.0°	109.5°
C41	C42	H63	90.0°	109.5°
C43	C44	H56	90.0°	109.5°
C43	C44	H57	90.0°	109.4°
C43	C44	H58	90.0°	109.5°
C44	C43	H50	90.0°	109.5°
C44	C43	H51	90.0°	109.5°
H30	C26	H31	90.0°	109.5°
H34	C28	H35	90.0°	109.5°
H42	C38	H59	90.0°	109.3°
H43	C37	H44	90.0°	109.8°
C36	C35	C34	90.0°	109.1°
C36	C35	H45	90.0°	109.5°
C36	C35	H60	90.0°	109.5°
H49	C40	H62	90.0°	109.3°
H52	C41	H53	90.0°	109.5°
H54	C42	H55	90.0°	109.5°
H54	C42	H63	90.0°	109.5°
H55	C42	H63	90.0°	109.5°
H56	C44	H57	90.0°	109.5°
H56	C44	H58	90.0°	109.5°
H57	C44	H58	90.0°	109.5°
C35	C34	C33	90.0°	107.9°
C35	C34	C39	90.0°	109.8°
C34	C35	H45	90.0°	109.4°
C34	C35	H60	90.0°	109.8°
C35	C34	H61	90.0°	109.6°
C33	C34	C39	90.0°	109.8°
C34	C33	H39	90.0°	109.5°
C34	C33	H41	90.0°	109.6°
C33	C34	H61	90.0°	110.0°
C34	C39	H48	90.0°	109.4°
C39	C34	H61	90.0°	109.7°
H46	C25	H47	90.0°	109.5°
H27	C27	H29	90.0°	109.5°
H32	C29	H33	90.0°	109.5°
H39	C33	H41	90.0°	109.6°
H45	C35	H60	90.0°	109.5°
H50	C43	H51	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C6	C7	H1	180.0°	179.7°
C6	C5	C4	H5	180.0°	180.0°
C5	C6	C7	C8	0.6°	0.0°
C6	C5	C4	C3	179.9°	180.0°
C6	C5	C4	C9	0.3°	0.0°
C5	C6	C7	H2	179.4°	180.0°
C7	C6	C5	C4	0.1°	0.0°
C6	C7	C8	H2	180.0°	180.0°
C6	C7	C8	C9	0.7°	0.1°
C7	C6	C5	H5	179.9°	180.0°
C6	C7	C8	H6	179.3°	180.0°
C5	C4	C3	C9	179.7°	180.0°
C5	C4	C3	C2	179.8°	180.0°
C5	C4	C9	C8	0.2°	0.0°
C5	C4	C9	C10	180.0°	180.0°
C4	C5	C6	H1	180.0°	179.7°
C5	C4	C3	H28	0.2°	0.0°
C7	C8	C9	C4	0.3°	0.1°
C7	C8	C9	H6	180.0°	180.0°
C7	C8	C9	C10	179.4°	180.0°
C8	C7	C6	H1	179.4°	179.8°
C4	C3	C2	H28	180.0°	180.0°
C3	C4	C9	C8	179.9°	180.0°
C3	C4	C9	C10	0.3°	0.1°
C4	C3	C2	C1	0.5°	0.1°
C3	C4	C5	H5	0.1°	0.0°
C4	C3	C2	H11	179.5°	180.0°
C9	C4	C3	C2	0.5°	0.0°
C4	C9	C8	C10	179.8°	179.9°
C4	C9	C10	C1	0.2°	0.1°
C9	C4	C5	H5	179.7°	180.0°
C4	C9	C8	H6	179.7°	180.0°
C4	C9	C10	H9	179.8°	180.0°
C9	C4	C3	H28	179.6°	180.0°
C3	C2	C1	H11	180.0°	179.9°
C3	C2	C1	C10	0.4°	0.1°
C3	C2	C1	S1	179.3°	179.9°
C8	C9	C10	C1	180.0°	180.0°
C9	C8	C7	H2	179.3°	180.0°
C8	C9	C10	H9	0.0°	0.0°
C9	C10	C1	C2	0.2°	0.0°
C9	C10	C1	H9	180.0°	179.9°
C9	C10	C1	S1	179.1°	180.0°
C10	C9	C8	H6	0.6°	0.0°
C2	C1	C10	S1	178.9°	180.0°
C2	C1	S1	N1	54.4°	86.5°
C2	C1	S1	O1	58.3°	160.0°
C2	C1	S1	O2	177.9°	27.1°
C2	C1	C10	H9	179.8°	180.0°
C1	C2	C3	H28	179.5°	179.9°
C10	C1	S1	N1	126.6°	93.5°
C10	C1	S1	O1	120.6°	20.0°
C10	C1	S1	O2	1.0°	152.9°
C10	C1	C2	H11	179.6°	180.0°
C1	S1	N1	O1	111.4°	113.5°
C1	S1	N1	O2	124.7°	113.6°
C1	S1	N1	C24	172.9°	83.7°
C1	S1	N1	C11	117.8°	96.2°
C1	S1	O1	O2	119.1°	123.0°
S1	C1	C10	H9	0.9°	0.0°
S1	C1	C2	H11	0.7°	0.0°
C15	C14	C13	H12	120.4°	120.0°
C15	C14	C13	H13	120.4°	119.9°
C14	C15	N2	H16	120.1°	119.9°
C14	C15	N2	H17	120.1°	120.1°
C15	C14	C13	C12	23.6°	57.6°
C14	C15	N2	C16	61.9°	61.7°
C14	C15	N2	C17	177.1°	62.4°
C15	C14	H12	H13	118.9°	120.1°
C15	C14	C13	H14	143.3°	177.6°
C15	C14	C13	H15	96.0°	62.2°
C14	C15	H16	H17	119.7°	120.0°
C13	C14	C15	N2	38.7°	59.1°
C14	C13	C12	H14	119.7°	120.0°
C14	C13	C12	H15	119.7°	119.9°
C14	C13	C12	C11	170.4°	177.6°
C14	C13	C12	C16	67.9°	57.6°
C13	C14	H12	H13	118.8°	120.1°
C14	C13	H14	H15	120.9°	120.2°
C13	C14	C15	H16	158.8°	60.8°
C13	C14	C15	H17	81.4°	179.2°
C14	C13	C12	H20	50.3°	62.3°
C15	N2	C16	C12	18.0°	61.7°
C15	N2	C16	C17	122.8°	124.1°
C15	N2	C17	C18	78.3°	66.0°
N2	C15	C14	H12	159.0°	179.1°
N2	C15	C14	H13	81.7°	60.8°
N2	C15	H16	H17	119.7°	120.0°
C15	N2	C16	H18	102.4°	178.2°
C15	N2	C16	H19	138.3°	58.2°
C15	N2	C17	H21	41.8°	174.0°
C15	N2	C17	H22	161.5°	54.0°
C13	C12	C11	N1	103.0°	65.9°
C13	C12	C11	C16	121.3°	119.8°
C13	C12	C11	H20	120.2°	120.1°
C13	C12	C16	H20	118.3°	119.9°
C13	C12	C16	N2	47.0°	59.1°
C12	C13	C14	H12	96.8°	177.6°
C12	C13	C14	H13	144.0°	62.3°
C12	C13	H14	H15	120.9°	120.1°
C13	C12	C16	H18	167.4°	179.2°
C13	C12	C16	H19	73.3°	60.8°
C13	C12	C11	H23	137.0°	54.1°
C13	C12	C11	H24	17.0°	174.0°
S1	N1	C24	C11	100.4°	179.9°
N1	S1	O1	O2	126.6°	122.9°
S1	N1	C11	C12	66.1°	115.5°
S1	N1	C11	H23	53.9°	4.5°
S1	N1	C11	H24	173.9°	124.5°
S1	N1	C24	H25	86.6°	145.0°
S1	N1	C24	H26	58.5°	24.9°
S1	N1	C24	C25	90.0°	95.0°
C24	N1	S1	O1	61.6°	162.8°
C24	N1	S1	O2	62.4°	29.9°
C24	N1	C11	C12	177.4°	64.4°
C24	N1	C11	H23	57.4°	175.6°
C24	N1	C11	H24	62.6°	55.6°
N1	C24	H25	H26	33.8°	120.1°
N1	C24	H25	C25	90.0°	120.0°
N1	C24	H26	C25	90.0°	119.9°
N1	C24	C25	O3	90.0°	65.0°
N1	C24	C25	H46	90.0°	175.0°
N1	C24	C25	H47	90.0°	55.0°
C11	N1	S1	O1	130.8°	17.3°
C11	N1	S1	O2	6.9°	150.2°
N1	C11	C12	H23	120.0°	120.1°
N1	C11	C12	H24	120.0°	120.0°
N1	C11	C12	C16	135.7°	174.2°
N1	C11	C12	H20	17.3°	54.1°
N1	C11	H23	H24	120.0°	120.0°
C11	N1	C24	H25	173.0°	34.9°
C11	N1	C24	H26	158.9°	155.0°
C11	N1	C24	C25	90.0°	85.1°
C11	C12	C16	H20	118.3°	120.1°
C11	C12	C16	N2	170.4°	179.1°
C11	C12	C13	H14	50.7°	62.4°
C11	C12	C13	H15	70.0°	57.7°
C11	C12	C16	H18	69.2°	60.8°
C11	C12	C16	H19	50.1°	59.1°
C12	C11	H23	H24	120.0°	119.9°
C12	C16	N2	H18	120.4°	120.1°
C12	C16	N2	H19	120.4°	119.9°
C12	C16	N2	C17	140.7°	62.4°
C16	C12	C13	H14	172.4°	177.6°
C16	C12	C13	H15	51.8°	62.3°
C12	C16	H18	H19	118.8°	119.9°
C16	C12	C11	H23	15.7°	65.7°
C16	C12	C11	H24	104.3°	54.2°
C19	C20	C21	H4	180.0°	179.2°
C20	C19	C18	H8	180.0°	179.2°
C19	C20	C21	C22	0.1°	0.6°
C20	C19	C18	C17	179.9°	179.5°
C20	C19	C18	C23	0.1°	0.6°
C19	C20	C21	H10	179.9°	180.0°
C21	C20	C19	C18	0.1°	0.9°
C20	C21	C22	H10	180.0°	179.4°
C20	C21	C22	C23	0.2°	0.0°
C20	C21	C22	H3	179.8°	179.8°
C21	C20	C19	H8	180.0°	180.0°
C16	N2	C17	C18	158.2°	169.7°
C16	N2	C15	H16	177.9°	58.2°
C16	N2	C15	H17	58.1°	178.3°
N2	C16	H18	H19	118.9°	120.0°
N2	C16	C12	H20	71.2°	60.8°
C16	N2	C17	H21	81.7°	49.7°
C16	N2	C17	H22	38.0°	70.3°
N2	C17	C18	C19	129.5°	90.0°
N2	C17	C18	H21	120.2°	120.0°
N2	C17	C18	H22	120.1°	119.9°
N2	C17	C18	C23	50.5°	90.0°
C17	N2	C15	H16	57.0°	177.6°
C17	N2	C15	H17	62.8°	57.6°
C17	N2	C16	H18	20.4°	57.6°
C17	N2	C16	H19	98.9°	177.6°
N2	C17	H21	H22	119.5°	119.9°
C19	C18	C17	C23	180.0°	179.9°
C19	C18	C23	C22	0.1°	0.0°
C18	C19	C20	H4	179.9°	180.0°
C19	C18	C23	H7	180.0°	180.0°
C19	C18	C17	H21	9.4°	150.1°
C19	C18	C17	H22	110.3°	30.0°
C21	C22	C23	C18	0.2°	0.2°
C21	C22	C23	H3	180.0°	179.8°
C22	C21	C20	H4	180.0°	179.8°
C21	C22	C23	H7	179.8°	179.7°
C17	C18	C23	C22	179.9°	180.0°
C17	C18	C23	H7	0.0°	0.1°
C17	C18	C19	H8	0.0°	0.3°
C18	C17	H21	H22	119.5°	120.1°
C18	C23	C22	H7	180.0°	179.9°
C18	C23	C22	H3	179.8°	179.9°
C23	C18	C19	H8	180.0°	179.7°
C23	C18	C17	H21	170.6°	30.0°
C23	C18	C17	H22	69.7°	150.1°
C23	C22	C21	H10	179.8°	179.4°
H1	C6	C7	H2	0.6°	0.3°
H1	C6	C5	H5	0.1°	0.2°
H2	C7	C8	H6	0.7°	0.0°
H3	C22	C23	H7	0.2°	0.1°
H3	C22	C21	H10	0.2°	0.4°
H4	C20	C19	H8	0.0°	0.8°
H4	C20	C21	H10	0.1°	0.8°
H11	C2	C3	H28	0.5°	0.0°
H12	C14	C13	H14	23.0°	62.5°
H12	C14	C13	H15	143.6°	57.7°
H12	C14	C15	H16	80.9°	59.2°
H12	C14	C15	H17	38.9°	60.9°
H13	C14	C13	H14	96.3°	57.6°
H13	C14	C13	H15	24.3°	177.8°
H13	C14	C15	H16	38.4°	179.3°
H13	C14	C15	H17	158.2°	59.2°
H14	C13	C12	H20	69.4°	57.7°
H15	C13	C12	H20	170.0°	177.8°
H18	C16	C12	H20	49.1°	59.3°
H19	C16	C12	H20	168.4°	179.3°
H20	C12	C11	H23	102.7°	174.2°
H20	C12	C11	H24	137.2°	65.9°
H25	C24	H26	C25	90.0°	120.0°
H25	C24	C25	O3	90.0°	55.0°
H25	C24	C25	H46	90.0°	65.0°
H25	C24	C25	H47	90.0°	175.0°
H26	C24	C25	O3	90.0°	175.0°
H26	C24	C25	H46	90.0°	55.0°
H26	C24	C25	H47	90.0°	65.0°
C24	C25	O3	H46	90.0°	120.0°
C24	C25	O3	H47	90.0°	120.0°
C24	C25	O3	C26	90.0°	180.0°
C24	C25	H46	H47	90.0°	120.0°
C25	O3	C26	C27	90.0°	180.0°
C25	O3	C26	H30	90.0°	60.0°
C25	O3	C26	H31	90.0°	60.0°
O3	C25	H46	H47	90.0°	120.0°
C27	C26	O3	H30	90.0°	120.0°
C27	C26	O3	H31	90.0°	120.0°
C26	C27	O4	H27	90.0°	120.0°
C26	C27	O4	H29	90.0°	119.9°
C26	C27	O4	C28	90.0°	180.0°
C27	C26	H30	H31	90.0°	120.0°
C26	C27	H27	H29	90.0°	120.0°
O3	C26	C27	O4	90.0°	65.0°
O3	C26	H30	H31	90.0°	120.0°
C26	O3	C25	H46	90.0°	60.0°
C26	O3	C25	H47	90.0°	60.0°
O3	C26	C27	H27	90.0°	175.0°
O3	C26	C27	H29	90.0°	55.0°
C27	O4	C28	C29	90.0°	179.9°
O4	C27	C26	H30	90.0°	55.0°
O4	C27	C26	H31	90.0°	175.1°
C27	O4	C28	H34	90.0°	59.9°
C27	O4	C28	H35	90.0°	60.1°
O4	C27	H27	H29	90.0°	120.0°
C29	C28	O4	H34	90.0°	120.0°
C29	C28	O4	H35	90.0°	120.0°
C28	C29	N3	H32	90.0°	120.0°
C28	C29	N3	H33	90.0°	120.0°
C28	C29	N3	C30	90.0°	180.0°
C29	C28	H34	H35	90.0°	120.1°
C28	C29	N3	H36	90.0°	56.1°
C28	C29	H32	H33	90.0°	119.9°
O4	C28	C29	N3	90.0°	65.0°
O4	C28	H34	H35	90.0°	119.9°
C28	O4	C27	H27	90.0°	60.0°
C28	O4	C27	H29	90.0°	60.1°
O4	C28	C29	H32	90.0°	174.9°
O4	C28	C29	H33	90.0°	55.0°
C29	N3	C30	H36	90.0°	123.9°
C29	N3	C30	O5	90.0°	100.0°
C29	N3	C30	C31	90.0°	140.0°
N3	C29	C28	H34	90.0°	55.0°
N3	C29	C28	H35	90.0°	175.0°
N3	C29	H32	H33	90.0°	120.0°
C29	N3	C30	H37	90.0°	20.0°
N3	C30	O5	C31	90.0°	120.0°
N3	C30	O5	H37	90.0°	120.0°
N3	C30	C31	C32	90.0°	173.4°
N3	C30	C31	C40	90.0°	54.8°
N3	C30	C31	H37	90.0°	120.0°
N3	C30	O5	H38	90.0°	64.8°
N3	C30	C31	H40	90.0°	65.9°
C30	N3	C29	H32	90.0°	60.0°
C30	N3	C29	H33	90.0°	60.0°
O5	C30	C31	C32	90.0°	66.6°
O5	C30	C31	C40	90.0°	174.8°
O5	C30	C31	H37	90.0°	120.0°
O5	C30	N3	H36	90.0°	23.9°
O5	C30	C31	H40	90.0°	54.2°
C33	C32	C31	O6	90.0°	179.8°
C33	C32	C31	C40	90.0°	52.3°
C33	C32	C31	C30	90.0°	67.3°
C33	C32	C31	H40	90.0°	171.9°
C32	C33	C34	C35	90.0°	173.1°
C32	C33	C34	H39	90.0°	119.9°
C32	C33	C34	H41	90.0°	119.9°
C32	C33	C34	C39	90.0°	53.5°
C32	C33	H39	H41	90.0°	120.2°
C32	C33	C34	H61	90.0°	67.3°
C32	C31	C40	C30	90.0°	119.6°
C32	C31	C40	H40	90.0°	119.7°
C32	C31	C30	H40	90.0°	120.8°
C32	C31	C40	C39	90.0°	55.2°
C32	C31	C40	H49	90.0°	64.7°
C31	C32	C33	C34	90.0°	51.7°
C32	C31	C30	H37	90.0°	53.4°
C31	C32	C33	H39	90.0°	68.1°
C31	C32	C33	H41	90.0°	171.7°
C32	C31	C40	H62	90.0°	175.6°
C40	C31	C30	H40	90.0°	120.7°
C40	C31	C32	O6	90.0°	127.5°
C31	C40	C39	C38	90.0°	176.9°
C31	C40	C39	H49	90.0°	120.1°
C31	C40	C39	H62	90.0°	120.3°
C31	C40	H49	H62	90.0°	119.8°
C31	C40	C39	C34	90.0°	62.7°
C40	C31	C30	H37	90.0°	65.2°
C31	C40	C39	H48	90.0°	57.7°
C30	C31	C32	O6	90.0°	112.9°
C30	C31	C40	C39	90.0°	64.4°
C31	C30	N3	H36	90.0°	96.0°
C31	C30	O5	H38	90.0°	55.2°
C30	C31	C40	H49	90.0°	175.7°
C30	C31	C40	H62	90.0°	55.9°
O6	C32	C31	H40	90.0°	7.9°
O6	C32	C33	C34	90.0°	128.1°
O6	C32	C33	H39	90.0°	112.1°
O6	C32	C33	H41	90.0°	8.1°
C39	C38	C37	H42	90.0°	120.1°
C39	C38	C37	H59	90.0°	120.1°
C39	C38	C37	C36	90.0°	55.5°
C38	C39	C40	C34	90.0°	120.4°
C38	C39	C40	H48	90.0°	119.2°
C39	C38	H42	H59	90.0°	119.8°
C39	C38	C37	H43	90.0°	175.1°
C39	C38	C37	H44	90.0°	64.2°
C38	C39	C40	H49	90.0°	63.0°
C38	C39	C34	C35	90.0°	61.3°
C38	C39	C34	C33	90.0°	179.7°
C38	C39	C34	H48	90.0°	120.5°
C38	C39	C34	H61	90.0°	59.3°
C38	C39	C40	H62	90.0°	56.6°
C38	C37	C36	H43	90.0°	119.6°
C38	C37	C36	H44	90.0°	119.7°
C37	C38	C39	C40	90.0°	176.9°
C38	C37	C36	N4	90.0°	127.4°
C37	C38	H42	H59	90.0°	119.8°
C38	C37	H43	H44	90.0°	120.7°
C38	C37	C36	C35	90.0°	52.8°
C37	C38	C39	C34	90.0°	62.7°
C37	C38	C39	H48	90.0°	57.7°
C37	C36	N4	C35	90.0°	179.8°
C37	C36	N4	C43	90.0°	11.8°
C37	C36	N4	C41	90.0°	168.2°
C36	C37	C38	H42	90.0°	64.6°
C36	C37	H43	H44	90.0°	120.7°
C37	C36	C35	C34	90.0°	51.9°
C36	C37	C38	H59	90.0°	175.6°
C37	C36	C35	H45	90.0°	171.6°
C37	C36	C35	H60	90.0°	68.2°
C39	C40	C31	H40	90.0°	174.9°
C40	C39	C38	H42	90.0°	63.0°
C39	C40	H49	H62	90.0°	119.7°
C40	C39	C34	C35	90.0°	179.7°
C40	C39	C34	C33	90.0°	61.3°
C40	C39	C34	H48	90.0°	120.4°
C40	C39	C38	H59	90.0°	56.8°
C40	C39	C34	H61	90.0°	59.8°
C36	N4	C43	C41	90.0°	180.0°
C36	N4	C41	C42	90.0°	115.2°
C36	N4	C43	C44	90.0°	116.7°
N4	C36	C37	H43	90.0°	7.8°
N4	C36	C37	H44	90.0°	112.8°
C36	N4	C41	H52	90.0°	4.8°
C36	N4	C41	H53	90.0°	124.8°
N4	C36	C35	C34	90.0°	128.3°
N4	C36	C35	H45	90.0°	8.6°
N4	C36	C35	H60	90.0°	111.5°
C36	N4	C43	H50	90.0°	3.4°
C36	N4	C43	H51	90.0°	123.3°
C43	N4	C41	C42	90.0°	64.8°
N4	C43	C44	H50	90.0°	120.0°
N4	C43	C44	H51	90.0°	120.0°
C43	N4	C36	C35	90.0°	167.9°
C43	N4	C41	H52	90.0°	175.2°
C43	N4	C41	H53	90.0°	55.2°
N4	C43	C44	H56	90.0°	60.0°
N4	C43	C44	H57	90.0°	60.0°
N4	C43	C44	H58	90.0°	180.0°
N4	C43	H50	H51	90.0°	119.9°
N4	C41	C42	H52	90.0°	120.0°
N4	C41	C42	H53	90.0°	120.0°
C41	N4	C43	C44	90.0°	63.4°
C41	N4	C36	C35	90.0°	12.0°
N4	C41	H52	H53	90.0°	120.0°
N4	C41	C42	H54	90.0°	60.0°
N4	C41	C42	H55	90.0°	60.0°
C41	N4	C43	H50	90.0°	176.6°
C41	N4	C43	H51	90.0°	56.6°
N4	C41	C42	H63	90.0°	180.0°
C42	C41	H52	H53	90.0°	120.0°
C41	C42	H54	H55	90.0°	120.0°
C41	C42	H54	H63	90.0°	120.0°
C41	C42	H55	H63	90.0°	120.0°
C43	C44	H56	H57	90.0°	119.9°
C43	C44	H56	H58	90.0°	120.0°
C43	C44	H57	H58	90.0°	120.0°
C44	C43	H50	H51	90.0°	120.0°
H30	C26	C27	H27	90.0°	65.0°
H30	C26	C27	H29	90.0°	175.0°
H31	C26	C27	H27	90.0°	55.0°
H31	C26	C27	H29	90.0°	65.0°
H34	C28	C29	H32	90.0°	65.0°
H34	C28	C29	H33	90.0°	175.0°
H35	C28	C29	H32	90.0°	55.0°
H35	C28	C29	H33	90.0°	65.0°
H36	N3	C29	H32	90.0°	176.1°
H36	N3	C29	H33	90.0°	63.9°
H36	N3	C30	H37	90.0°	143.9°
H38	O5	C30	H37	90.0°	175.1°
H40	C31	C40	H49	90.0°	55.0°
H40	C31	C30	H37	90.0°	174.1°
H40	C31	C40	H62	90.0°	64.8°
H42	C38	C37	H43	90.0°	55.0°
H42	C38	C37	H44	90.0°	175.7°
H42	C38	C39	C34	90.0°	57.4°
H42	C38	C39	H48	90.0°	177.8°
H43	C37	C36	C35	90.0°	172.4°
H43	C37	C38	H59	90.0°	64.8°
H44	C37	C36	C35	90.0°	66.9°
H44	C37	C38	H59	90.0°	55.9°
C36	C35	C34	H45	90.0°	119.7°
C36	C35	C34	H60	90.0°	120.0°
C36	C35	C34	C33	90.0°	173.1°
C36	C35	C34	C39	90.0°	53.5°
C36	C35	H45	H60	90.0°	120.1°
C36	C35	C34	H61	90.0°	67.1°
H49	C40	C39	C34	90.0°	57.4°
H49	C40	C39	H48	90.0°	177.8°
H52	C41	C42	H54	90.0°	179.9°
H52	C41	C42	H55	90.0°	60.0°
H52	C41	C42	H63	90.0°	60.0°
H53	C41	C42	H54	90.0°	60.0°
H53	C41	C42	H55	90.0°	180.0°
H53	C41	C42	H63	90.0°	60.0°
H54	C42	H55	H63	90.0°	120.0°
H56	C44	H57	H58	90.0°	120.1°
H56	C44	C43	H50	90.0°	179.9°
H56	C44	C43	H51	90.0°	60.0°
H57	C44	C43	H50	90.0°	60.0°
H57	C44	C43	H51	90.0°	180.0°
H58	C44	C43	H50	90.0°	60.0°
H58	C44	C43	H51	90.0°	60.0°
C35	C34	C33	C39	90.0°	119.6°
C35	C34	C33	H61	90.0°	119.5°
C35	C34	C39	H61	90.0°	120.5°
C35	C34	C33	H39	90.0°	53.2°
C35	C34	C33	H41	90.0°	67.0°
C35	C34	C39	H48	90.0°	59.3°
C34	C35	H45	H60	90.0°	120.4°
C33	C34	C39	H61	90.0°	121.0°
C34	C33	H39	H41	90.0°	120.2°
C33	C34	C39	H48	90.0°	59.2°
C33	C34	C35	H45	90.0°	67.1°
C33	C34	C35	H60	90.0°	53.1°
C39	C34	C33	H39	90.0°	66.4°
C39	C34	C33	H41	90.0°	173.4°
C34	C39	C38	H59	90.0°	177.1°
C39	C34	C35	H45	90.0°	173.2°
C39	C34	C35	H60	90.0°	66.5°
C34	C39	C40	H62	90.0°	177.0°
H39	C33	C34	H61	90.0°	172.7°
H41	C33	C34	H61	90.0°	52.6°
H48	C39	C38	H59	90.0°	62.4°
H48	C39	C34	H61	90.0°	179.8°
H48	C39	C40	H62	90.0°	62.6°
H45	C35	C34	H61	90.0°	52.7°
H60	C35	C34	H61	90.0°	172.9°

Release date:	2020-01-22
Definition date:	2019-05-28
Last modified:	2020-01-17
Release status:	REL
Processing site:	PDBE
Derived from:	6RUA