W1K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	P	doub	1.48Å	1.48Å
O1	P	sing	1.61Å	1.53Å
P	O2	sing	1.61Å	1.59Å
P	O	sing	1.61Å	1.61Å
O11	P1	doub	1.48Å	1.48Å
O9	C6	sing	1.43Å	1.42Å
O2	P1	sing	1.61Å	1.59Å
O8	P2	doub	1.48Å	1.49Å
C6	C5	sing	1.55Å	1.53Å
C6	C7	sing	1.55Å	1.53Å
P1	O4	sing	1.61Å	1.60Å
P1	O3	sing	1.61Å	1.53Å
C5	O5	sing	1.43Å	1.44Å
C5	C4	sing	1.54Å	1.53Å
O5	P2	sing	1.61Å	1.61Å
P2	O6	sing	1.61Å	1.53Å
P2	O7	sing	1.61Å	1.53Å
O4	C3	sing	1.43Å	1.44Å
C12	N4	doub	1.30Å	1.31Å	Aromatic
C12	N	sing	1.36Å	1.37Å	Aromatic
N4	C11	sing	1.35Å	1.39Å	Aromatic
N	C7	sing	1.46Å	1.46Å
N	C8	sing	1.37Å	1.37Å	Aromatic
C7	O10	sing	1.44Å	1.42Å
C11	C8	doub	1.40Å	1.39Å	Aromatic
C11	C10	sing	1.41Å	1.41Å	Aromatic
C8	N1	sing	1.33Å	1.34Å	Aromatic
N3	C10	sing	1.38Å	1.34Å
C10	N2	doub	1.33Å	1.35Å	Aromatic
C4	C3	sing	1.53Å	1.51Å
C4	O10	sing	1.44Å	1.45Å
N1	C9	doub	1.32Å	1.34Å	Aromatic
N2	C9	sing	1.32Å	1.34Å	Aromatic
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
O	H6	sing	0.97Å	0.95Å
C12	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
N3	H10	sing	0.97Å	1.00Å
N3	H11	sing	0.97Å	1.00Å
O3	H13	sing	0.97Å	0.95Å
O6	H14	sing	0.97Å	0.95Å
O7	H15	sing	0.97Å	0.95Å
O9	H16	sing	0.97Å	0.95Å
O1	C1	sing	1.43Å	277.28Å
C1	C2	sing	1.53Å	0.00Å
C2	C13	sing	1.53Å	0.00Å
C2	C14	sing	1.53Å	0.00Å
C2	C15	sing	1.53Å	0.00Å
C13	O13	sing	1.43Å	0.00Å
N5	C16	sing	1.47Å	0.00Å
C16	C17	sing	1.53Å	0.00Å
C17	C18	sing	1.51Å	0.00Å
C18	O15	doub	1.21Å	0.00Å
C18	N6	sing	1.35Å	0.00Å
N6	C19	sing	1.46Å	0.00Å
C19	C20	sing	1.53Å	0.00Å
C20	S1	sing	1.81Å	0.00Å
S1	C22	sing	1.71Å	0.00Å
C22	O16	doub	1.21Å	0.00Å
C22	C23	sing	1.51Å	0.00Å
C23	C24	sing	1.53Å	0.00Å
C23	C25	sing	1.53Å	0.00Å
C23	C26	sing	1.53Å	0.00Å
C26	C27	sing	1.53Å	0.00Å
C27	C28	sing	1.53Å	0.00Å
C28	C29	sing	1.53Å	0.00Å
C29	C30	sing	1.51Å	0.00Å
C30	C31	doub	1.38Å	0.00Å	Aromatic
C31	C32	sing	1.38Å	0.00Å	Aromatic
C32	C33	doub	1.38Å	0.00Å	Aromatic
C33	C34	sing	1.38Å	0.00Å	Aromatic
C34	C35	doub	1.38Å	0.00Å	Aromatic
C35	C30	sing	1.38Å	0.00Å	Aromatic
C33	C36	sing	1.51Å	0.00Å
C36	C37	sing	1.53Å	0.00Å
C37	C38	sing	1.53Å	0.00Å
C38	C39	sing	1.53Å	0.00Å
C39	C40	sing	1.53Å	0.00Å
C40	C41	sing	1.51Å	0.00Å
C40	C42	sing	1.53Å	0.00Å
C40	C43	sing	1.53Å	0.00Å
C41	O18	doub	1.21Å	0.00Å
C1	H12	sing	1.09Å	0.00Å
C1	H17	sing	1.09Å	0.00Å
C14	H18	sing	1.09Å	0.00Å
C14	H19	sing	1.09Å	0.00Å
C14	H20	sing	1.09Å	0.00Å
C15	H21	sing	1.09Å	0.00Å
C15	H22	sing	1.09Å	0.00Å
C15	H23	sing	1.09Å	0.00Å
O13	H24	sing	0.97Å	0.00Å
N5	H25	sing	0.97Å	0.00Å
C16	H26	sing	1.09Å	0.00Å
C16	H27	sing	1.09Å	0.00Å
C17	H28	sing	1.09Å	0.00Å
C17	H29	sing	1.09Å	0.00Å
N6	H30	sing	0.97Å	0.00Å
C19	H31	sing	1.09Å	0.00Å
C19	H32	sing	1.09Å	0.00Å
C20	H33	sing	1.09Å	0.00Å
C20	H34	sing	1.09Å	0.00Å
C24	H37	sing	1.09Å	0.00Å
C24	H38	sing	1.09Å	0.00Å
C24	H39	sing	1.09Å	0.00Å
C25	H40	sing	1.09Å	0.00Å
C25	H41	sing	1.09Å	0.00Å
C25	H42	sing	1.09Å	0.00Å
C26	H43	sing	1.09Å	0.00Å
C26	H44	sing	1.09Å	0.00Å
C27	H45	sing	1.09Å	0.00Å
C27	H46	sing	1.09Å	0.00Å
C28	H47	sing	1.09Å	0.00Å
C28	H48	sing	1.09Å	0.00Å
C29	H49	sing	1.09Å	0.00Å
C29	H50	sing	1.09Å	0.00Å
C31	H51	sing	1.08Å	0.00Å
C32	H52	sing	1.08Å	0.00Å
C34	H53	sing	1.08Å	0.00Å
C35	H54	sing	1.08Å	0.00Å
C36	H55	sing	1.09Å	0.00Å
C36	H56	sing	1.09Å	0.00Å
C37	H57	sing	1.09Å	0.00Å
C37	H58	sing	1.09Å	0.00Å
C38	H59	sing	1.09Å	0.00Å
C38	H60	sing	1.09Å	0.00Å
C39	H61	sing	1.09Å	0.00Å
C39	H62	sing	1.09Å	0.00Å
C42	H63	sing	1.09Å	0.00Å
C42	H64	sing	1.09Å	0.00Å
C42	H65	sing	1.09Å	0.00Å
C43	H66	sing	1.09Å	0.00Å
C43	H67	sing	1.09Å	0.00Å
C43	H68	sing	1.09Å	0.00Å
C13	C45	sing	1.51Å	0.00Å
N5	C45	sing	1.35Å	0.00Å
C13	H70	sing	1.09Å	0.00Å
C41	O19	sing	1.34Å	0.00Å
O19	H69	sing	0.97Å	0.00Å
C45	O17	doub	1.21Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	P	O1	114.9°	109.5°
O12	P	O2	111.4°	109.4°
O12	P	O	111.4°	109.5°
O1	P	O2	107.0°	109.5°
O1	P	O	106.7°	109.5°
P	O1	C1	105.9°	123.0°
O2	P	O	104.9°	109.4°
P	O2	P1	133.0°	134.0°
P	O	H6	109.5°	113.9°
O11	P1	O2	111.5°	109.5°
O11	P1	O4	111.5°	109.5°
O11	P1	O3	114.9°	109.4°
O9	C6	C5	110.6°	110.9°
O9	C6	C7	110.7°	110.9°
O9	C6	H5	112.6°	110.8°
C6	O9	H16	109.5°	114.0°
O2	P1	O4	104.5°	109.5°
O2	P1	O3	107.0°	109.4°
O8	P2	O5	109.8°	109.5°
O8	P2	O6	113.1°	109.5°
O8	P2	O7	113.1°	109.4°
C5	C6	C7	100.3°	102.1°
C6	C5	O5	107.7°	110.5°
C6	C5	C4	103.5°	104.2°
C6	C5	H4	111.9°	110.6°
C5	C6	H5	111.0°	110.9°
C6	C7	N	114.2°	110.6°
C6	C7	O10	106.2°	103.5°
C7	C6	H5	110.9°	110.9°
C6	C7	H8	108.5°	110.6°
O4	P1	O3	106.8°	109.5°
P1	O4	C3	125.4°	123.0°
P1	O3	H13	109.5°	114.0°
O5	C5	C4	107.9°	110.5°
C5	O5	P2	126.6°	123.0°
O5	C5	H4	113.3°	110.5°
C5	C4	C3	115.5°	109.9°
C5	C4	O10	105.8°	107.3°
C5	C4	H3	108.2°	110.0°
C4	C5	H4	111.9°	110.4°
O5	P2	O6	106.1°	109.5°
O5	P2	O7	106.1°	109.5°
O6	P2	O7	108.2°	109.5°
P2	O6	H14	109.5°	114.0°
P2	O7	H15	109.5°	114.0°
O4	C3	C4	109.5°	109.5°
O4	C3	H1	109.5°	109.5°
O4	C3	H2	109.5°	109.5°
N4	C12	N	114.1°	110.0°
C12	N4	C11	103.8°	109.4°
N4	C12	H7	123.0°	125.0°
C12	N	C7	127.1°	126.2°
C12	N	C8	105.7°	107.4°
N	C12	H7	123.0°	125.0°
N4	C11	C8	110.6°	107.2°
N4	C11	C10	132.5°	134.7°
C7	N	C8	127.3°	126.3°
N	C7	O10	108.4°	110.7°
N	C7	H8	109.4°	110.5°
N	C8	C11	105.9°	106.0°
N	C8	N1	127.5°	134.9°
C7	O10	C4	109.8°	107.0°
O10	C7	H8	110.1°	110.8°
C8	C11	C10	116.9°	118.2°
C11	C8	N1	126.6°	119.1°
C11	C10	N3	123.8°	120.7°
C11	C10	N2	117.7°	118.5°
C8	N1	C9	111.2°	120.7°
N3	C10	N2	118.5°	120.8°
C10	N3	H10	109.5°	120.0°
C10	N3	H11	109.4°	120.0°
C10	N2	C9	118.8°	121.2°
C3	C4	O10	109.6°	109.9°
C4	C3	H1	109.5°	109.5°
C4	C3	H2	109.5°	109.4°
C3	C4	H3	108.4°	109.9°
O10	C4	H3	109.2°	109.8°
N1	C9	N2	128.8°	122.4°
N1	C9	H9	115.6°	118.8°
N2	C9	H9	115.6°	118.8°
H1	C3	H2	109.5°	109.4°
H10	N3	H11	109.5°	120.0°
O1	C1	C2	90.0°	109.5°
O1	C1	H12	90.0°	109.5°
O1	C1	H17	90.0°	109.5°
C1	C2	C13	90.0°	109.5°
C1	C2	C14	90.0°	109.5°
C1	C2	C15	90.0°	109.5°
C2	C1	H12	90.0°	109.4°
C2	C1	H17	90.0°	109.4°
C13	C2	C14	90.0°	109.4°
C13	C2	C15	90.0°	109.5°
C2	C13	O13	90.0°	109.4°
C2	C13	C45	90.0°	109.5°
C2	C13	H70	90.0°	109.5°
C14	C2	C15	90.0°	109.5°
C2	C14	H18	90.0°	109.5°
C2	C14	H19	90.0°	109.5°
C2	C14	H20	90.0°	109.5°
C2	C15	H21	90.0°	109.5°
C2	C15	H22	90.0°	109.5°
C2	C15	H23	90.0°	109.5°
C13	O13	H24	90.0°	114.0°
O13	C13	C45	90.0°	109.5°
O13	C13	H70	90.0°	109.5°
N5	C16	C17	90.0°	109.5°
C16	N5	H25	90.0°	120.0°
N5	C16	H26	90.0°	109.4°
N5	C16	H27	90.0°	109.5°
C16	N5	C45	90.0°	120.0°
C16	C17	C18	90.0°	109.5°
C17	C16	H26	90.0°	109.5°
C17	C16	H27	90.0°	109.5°
C16	C17	H28	90.0°	109.5°
C16	C17	H29	90.0°	109.5°
C17	C18	O15	90.0°	119.9°
C17	C18	N6	90.0°	120.0°
C18	C17	H28	90.0°	109.4°
C18	C17	H29	90.0°	109.5°
O15	C18	N6	90.0°	120.0°
C18	N6	C19	90.0°	120.0°
C18	N6	H30	90.0°	120.0°
N6	C19	C20	90.0°	109.5°
C19	N6	H30	90.0°	120.0°
N6	C19	H31	90.0°	109.5°
N6	C19	H32	90.0°	109.5°
C19	C20	S1	90.0°	109.5°
C20	C19	H31	90.0°	109.5°
C20	C19	H32	90.0°	109.5°
C19	C20	H33	90.0°	109.5°
C19	C20	H34	90.0°	109.5°
C20	S1	C22	90.0°	100.0°
S1	C20	H33	90.0°	109.5°
S1	C20	H34	90.0°	109.5°
S1	C22	O16	90.0°	120.0°
S1	C22	C23	90.0°	120.0°
O16	C22	C23	90.0°	120.0°
C22	C23	C24	90.0°	109.5°
C22	C23	C25	90.0°	109.5°
C22	C23	C26	90.0°	109.5°
C24	C23	C25	90.0°	109.5°
C24	C23	C26	90.0°	109.5°
C23	C24	H37	90.0°	109.4°
C23	C24	H38	90.0°	109.4°
C23	C24	H39	90.0°	109.5°
C25	C23	C26	90.0°	109.5°
C23	C25	H40	90.0°	109.4°
C23	C25	H41	90.0°	109.5°
C23	C25	H42	90.0°	109.4°
C23	C26	C27	90.0°	109.4°
C23	C26	H43	90.0°	109.5°
C23	C26	H44	90.0°	109.5°
C26	C27	C28	90.0°	109.5°
C27	C26	H43	90.0°	109.4°
C27	C26	H44	90.0°	109.5°
C26	C27	H45	90.0°	109.5°
C26	C27	H46	90.0°	109.5°
C27	C28	C29	90.0°	109.5°
C28	C27	H45	90.0°	109.4°
C28	C27	H46	90.0°	109.5°
C27	C28	H47	90.0°	109.4°
C27	C28	H48	90.0°	109.5°
C28	C29	C30	90.0°	109.5°
C29	C28	H47	90.0°	109.5°
C29	C28	H48	90.0°	109.5°
C28	C29	H49	90.0°	109.5°
C28	C29	H50	90.0°	109.4°
C29	C30	C31	90.0°	120.0°
C29	C30	C35	90.0°	120.0°
C30	C29	H49	90.0°	109.5°
C30	C29	H50	90.0°	109.5°
C30	C31	C32	90.0°	120.0°
C31	C30	C35	90.0°	120.0°
C30	C31	H51	90.0°	120.0°
C31	C32	C33	90.0°	120.0°
C32	C31	H51	90.0°	119.9°
C31	C32	H52	90.0°	120.0°
C32	C33	C34	90.0°	120.0°
C32	C33	C36	90.0°	120.0°
C33	C32	H52	90.0°	120.0°
C33	C34	C35	90.0°	120.0°
C34	C33	C36	90.0°	120.0°
C33	C34	H53	90.0°	120.1°
C34	C35	C30	90.0°	120.0°
C35	C34	H53	90.0°	119.9°
C34	C35	H54	90.0°	120.0°
C30	C35	H54	90.0°	120.0°
C33	C36	C37	90.0°	109.5°
C33	C36	H55	90.0°	109.5°
C33	C36	H56	90.0°	109.5°
C36	C37	C38	90.0°	109.5°
C37	C36	H55	90.0°	109.5°
C37	C36	H56	90.0°	109.5°
C36	C37	H57	90.0°	109.4°
C36	C37	H58	90.0°	109.5°
C37	C38	C39	90.0°	109.4°
C38	C37	H57	90.0°	109.5°
C38	C37	H58	90.0°	109.5°
C37	C38	H59	90.0°	109.4°
C37	C38	H60	90.0°	109.5°
C38	C39	C40	90.0°	109.4°
C39	C38	H59	90.0°	109.5°
C39	C38	H60	90.0°	109.5°
C38	C39	H61	90.0°	109.5°
C38	C39	H62	90.0°	109.5°
C39	C40	C41	90.0°	109.5°
C39	C40	C42	90.0°	109.5°
C39	C40	C43	90.0°	109.5°
C40	C39	H61	90.0°	109.5°
C40	C39	H62	90.0°	109.5°
C41	C40	C42	90.0°	109.5°
C41	C40	C43	90.0°	109.5°
C40	C41	O18	90.0°	120.0°
C40	C41	O19	90.0°	120.0°
C42	C40	C43	90.0°	109.5°
C40	C42	H63	90.0°	109.5°
C40	C42	H64	90.0°	109.5°
C40	C42	H65	90.0°	109.5°
C40	C43	H66	90.0°	109.5°
C40	C43	H67	90.0°	109.5°
C40	C43	H68	90.0°	109.5°
O18	C41	O19	90.0°	120.0°
H12	C1	H17	90.0°	109.5°
H18	C14	H19	90.0°	109.4°
H18	C14	H20	90.0°	109.4°
H19	C14	H20	90.0°	109.4°
H21	C15	H22	90.0°	109.5°
H21	C15	H23	90.0°	109.5°
H22	C15	H23	90.0°	109.5°
H25	N5	C45	90.0°	120.0°
H26	C16	H27	90.0°	109.5°
H28	C17	H29	90.0°	109.5°
H31	C19	H32	90.0°	109.4°
H33	C20	H34	90.0°	109.4°
H37	C24	H38	90.0°	109.5°
H37	C24	H39	90.0°	109.5°
H38	C24	H39	90.0°	109.5°
H40	C25	H41	90.0°	109.5°
H40	C25	H42	90.0°	109.5°
H41	C25	H42	90.0°	109.5°
H43	C26	H44	90.0°	109.5°
H45	C27	H46	90.0°	109.5°
H47	C28	H48	90.0°	109.4°
H49	C29	H50	90.0°	109.4°
H55	C36	H56	90.0°	109.5°
H57	C37	H58	90.0°	109.4°
H59	C38	H60	90.0°	109.5°
H61	C39	H62	90.0°	109.5°
H63	C42	H64	90.0°	109.4°
H63	C42	H65	90.0°	109.5°
H64	C42	H65	90.0°	109.5°
H66	C43	H67	90.0°	109.5°
H66	C43	H68	90.0°	109.4°
H67	C43	H68	90.0°	109.5°
C13	C45	N5	90.0°	120.0°
C45	C13	H70	90.0°	109.5°
C13	C45	O17	90.0°	120.0°
N5	C45	O17	90.0°	120.0°
C41	O19	H69	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	P	O1	O2	124.2°	120.0°
O12	P	O1	O	124.0°	120.0°
O12	P	O2	O	120.6°	120.0°
O12	P	O2	P1	142.3°	45.0°
O12	P	O	H6	0.0°	180.0°
O12	P	O1	C1	55.0°	55.0°
O1	P	O2	O	113.1°	120.0°
O1	P	O2	P1	16.0°	165.0°
O1	P	O	H6	126.1°	60.0°
P	O1	C1	C2	90.0°	180.0°
P	O1	C1	H12	90.0°	60.0°
P	O1	C1	H17	90.0°	60.0°
P	O2	P1	O11	70.9°	39.9°
P	O2	P1	O4	49.6°	160.0°
P	O2	P1	O3	162.7°	80.0°
O2	P	O	H6	120.6°	60.0°
O2	P	O1	C1	69.1°	175.0°
O	P	O2	P1	97.1°	75.0°
O	P	O1	C1	179.0°	65.0°
O11	P1	O2	O4	120.6°	120.1°
O11	P1	O2	O3	126.4°	119.9°
O11	P1	O4	O3	126.3°	120.0°
O11	P1	O4	C3	102.5°	55.0°
O11	P1	O3	H13	0.0°	180.0°
O9	C6	C5	C7	117.0°	118.2°
O9	C6	C5	H5	125.7°	123.6°
O9	C6	C7	H5	125.8°	123.6°
O9	C6	C5	O5	38.2°	20.4°
O9	C6	C5	C4	152.3°	139.1°
O9	C6	C7	N	87.4°	86.2°
O9	C6	C7	O10	153.2°	155.2°
O9	C6	C5	H4	87.0°	102.2°
O9	C6	C7	H8	34.9°	36.5°
O2	P1	O4	O3	113.2°	120.0°
O2	P1	O4	C3	137.0°	175.0°
O2	P1	O3	H13	124.3°	60.1°
O8	P2	O5	C5	55.8°	55.0°
O8	P2	O5	O6	122.6°	120.0°
O8	P2	O5	O7	122.5°	120.0°
O8	P2	O6	O7	126.1°	120.0°
O8	P2	O6	H14	0.0°	179.9°
O8	P2	O7	H15	0.0°	60.0°
C5	C6	C7	H5	117.3°	118.2°
C6	C5	O5	C4	111.1°	114.7°
C6	C5	O5	H4	124.4°	122.8°
C6	C5	C4	H4	120.7°	118.8°
C6	C5	O5	P2	159.3°	125.3°
C5	C6	C7	N	155.7°	155.6°
C5	C6	C7	O10	36.3°	37.0°
C6	C5	C4	C3	98.0°	121.5°
C6	C5	C4	O10	23.4°	2.0°
C6	C5	C4	H3	140.4°	117.4°
C5	C6	C7	H8	82.0°	81.7°
C5	C6	O9	H16	180.0°	180.0°
C7	C6	C5	O5	78.7°	97.8°
C7	C6	C5	C4	35.4°	20.9°
C6	C7	N	C12	43.6°	95.5°
C6	C7	N	O10	118.1°	114.1°
C6	C7	N	H8	121.8°	122.8°
C6	C7	N	C8	136.7°	85.0°
C6	C7	O10	H8	117.3°	118.5°
C6	C7	O10	C4	23.0°	40.0°
C7	C6	C5	H4	156.0°	139.6°
C7	C6	O9	H16	69.7°	67.3°
P1	O4	C3	C4	133.7°	180.0°
P1	O4	C3	H1	13.7°	60.0°
P1	O4	C3	H2	106.3°	60.0°
O4	P1	O3	H13	124.2°	59.9°
O3	P1	O4	C3	23.8°	65.0°
O5	C5	C4	H4	125.3°	122.5°
C5	O5	P2	O6	178.4°	65.0°
C5	O5	P2	O7	66.7°	175.0°
O5	C5	C4	C3	148.0°	119.8°
O5	C5	C4	O10	90.6°	120.7°
O5	C5	C4	H3	26.4°	1.3°
O5	C5	C6	H5	164.0°	144.0°
C4	C5	O5	P2	89.6°	120.0°
C5	C4	C3	O4	24.1°	175.7°
C5	C4	O10	C7	0.4°	26.4°
C5	C4	C3	O10	119.3°	117.9°
C5	C4	C3	H3	121.5°	121.2°
C5	C4	O10	H3	116.2°	119.5°
C5	C4	C3	H1	95.8°	55.6°
C5	C4	C3	H2	144.2°	64.3°
C4	C5	C6	H5	81.9°	97.3°
O5	P2	O6	O7	113.5°	120.0°
P2	O5	C5	H4	34.9°	2.5°
O5	P2	O6	H14	120.5°	60.1°
O5	P2	O7	H15	120.5°	180.0°
O6	P2	O7	H15	126.1°	60.0°
O7	P2	O6	H14	126.1°	60.0°
O4	C3	C4	H1	120.0°	120.1°
O4	C3	C4	H2	120.0°	120.0°
O4	C3	C4	O10	95.2°	66.4°
O4	C3	H1	H2	120.0°	120.0°
O4	C3	C4	H3	145.7°	54.5°
N4	C12	N	H7	180.0°	179.8°
N4	C12	N	C7	179.7°	180.0°
N4	C12	N	C8	0.1°	0.4°
C12	N4	C11	C8	0.1°	0.1°
C12	N4	C11	C10	180.0°	179.7°
N	C12	N4	C11	0.0°	0.2°
C12	N	C7	C8	179.7°	179.5°
C12	N	C7	O10	74.6°	18.6°
C12	N	C8	C11	0.1°	0.4°
C12	N	C8	N1	179.9°	179.7°
C12	N	C7	H8	165.4°	141.7°
N4	C11	C8	N	0.1°	0.3°
N4	C11	C8	C10	179.9°	179.6°
N4	C11	C8	N1	179.9°	179.7°
N4	C11	C10	N3	0.1°	0.4°
N4	C11	C10	N2	179.9°	179.6°
C11	N4	C12	H7	180.0°	180.0°
N	C7	O10	H8	119.7°	122.9°
C7	N	C8	C11	179.7°	180.0°
C7	N	C8	N1	0.3°	0.1°
N	C7	O10	C4	146.1°	158.5°
N	C7	C6	H5	38.4°	37.3°
C7	N	C12	H7	0.4°	0.2°
C8	N	C7	O10	105.1°	160.9°
N	C8	C11	N1	180.0°	179.9°
N	C8	C11	C10	180.0°	180.0°
N	C8	N1	C9	180.0°	180.0°
C8	N	C12	H7	179.9°	179.8°
C8	N	C7	H8	14.9°	37.8°
C7	O10	C4	C3	124.7°	145.9°
C7	O10	C4	H3	116.7°	93.1°
O10	C7	C6	H5	81.0°	81.3°
C8	C11	C10	N3	179.9°	179.9°
C8	C11	C10	N2	0.0°	0.1°
C11	C8	N1	C9	0.0°	0.1°
C10	C11	C8	N1	0.0°	0.1°
C11	C10	N3	N2	179.9°	180.0°
C11	C10	N2	C9	0.0°	0.0°
C11	C10	N3	H10	179.9°	0.0°
C11	C10	N3	H11	60.0°	179.9°
C8	N1	C9	N2	0.1°	0.0°
C8	N1	C9	H9	179.9°	180.0°
N3	C10	N2	C9	180.0°	180.0°
C10	N3	H10	H11	120.0°	179.9°
C10	N2	C9	N1	0.1°	0.0°
C10	N2	C9	H9	179.9°	180.0°
N2	C10	N3	H10	0.0°	180.0°
N2	C10	N3	H11	120.0°	0.1°
C3	C4	O10	H3	118.6°	121.0°
C4	C3	H1	H2	120.0°	119.9°
C3	C4	C5	H4	22.7°	2.7°
O10	C4	C3	H1	144.8°	173.5°
O10	C4	C3	H2	24.8°	53.6°
O10	C4	C5	H4	144.1°	116.8°
C4	O10	C7	H8	94.3°	78.5°
N1	C9	N2	H9	180.0°	180.0°
H1	C3	C4	H3	25.7°	65.5°
H2	C3	C4	H3	94.3°	174.5°
H3	C4	C5	H4	99.0°	123.8°
H4	C5	C6	H5	38.7°	21.3°
H5	C6	C7	H8	160.7°	160.1°
H5	C6	O9	H16	55.1°	56.3°
O1	C1	C2	H12	90.0°	120.0°
O1	C1	C2	H17	90.0°	120.0°
O1	C1	C2	C13	90.0°	180.0°
O1	C1	C2	C14	90.0°	60.0°
O1	C1	C2	C15	90.0°	60.0°
O1	C1	H12	H17	90.0°	120.1°
C1	C2	C13	C14	90.0°	120.0°
C1	C2	C13	C15	90.0°	120.0°
C1	C2	C14	C15	90.0°	120.1°
C1	C2	C13	O13	90.0°	65.6°
C2	C1	H12	H17	90.0°	120.0°
C1	C2	C14	H18	90.0°	66.4°
C1	C2	C14	H19	90.0°	173.6°
C1	C2	C14	H20	90.0°	53.6°
C1	C2	C15	H21	90.0°	64.5°
C1	C2	C15	H22	90.0°	175.4°
C1	C2	C15	H23	90.0°	55.4°
C1	C2	C13	C45	90.0°	54.4°
C1	C2	C13	H70	90.0°	174.4°
C13	C2	C14	C15	90.0°	120.0°
C2	C13	O13	C45	90.0°	120.0°
C2	C13	O13	H70	90.0°	120.0°
C13	C2	C1	H12	90.0°	60.0°
C13	C2	C1	H17	90.0°	60.0°
C13	C2	C14	H18	90.0°	173.6°
C13	C2	C14	H19	90.0°	53.6°
C13	C2	C14	H20	90.0°	66.4°
C13	C2	C15	H21	90.0°	55.5°
C13	C2	C15	H22	90.0°	64.6°
C13	C2	C15	H23	90.0°	175.4°
C2	C13	O13	H24	90.0°	60.0°
C2	C13	C45	H70	90.0°	120.0°
C2	C13	C45	N5	90.0°	68.5°
C2	C13	C45	O17	90.0°	111.5°
C14	C2	C13	O13	90.0°	174.4°
C14	C2	C1	H12	90.0°	180.0°
C14	C2	C1	H17	90.0°	60.0°
C2	C14	H18	H19	90.0°	120.0°
C2	C14	H18	H20	90.0°	120.0°
C2	C14	H19	H20	90.0°	120.1°
C14	C2	C15	H21	90.0°	175.4°
C14	C2	C15	H22	90.0°	55.4°
C14	C2	C15	H23	90.0°	64.6°
C14	C2	C13	C45	90.0°	65.6°
C14	C2	C13	H70	90.0°	54.4°
C15	C2	C13	O13	90.0°	54.4°
C15	C2	C1	H12	90.0°	60.0°
C15	C2	C1	H17	90.0°	180.0°
C15	C2	C14	H18	90.0°	53.7°
C15	C2	C14	H19	90.0°	66.3°
C15	C2	C14	H20	90.0°	173.7°
C2	C15	H21	H22	90.0°	120.0°
C2	C15	H21	H23	90.0°	120.0°
C2	C15	H22	H23	90.0°	120.0°
C15	C2	C13	C45	90.0°	174.4°
C15	C2	C13	H70	90.0°	65.5°
O13	C13	C45	H70	90.0°	120.0°
O13	C13	C45	N5	90.0°	171.5°
O13	C13	C45	O17	90.0°	8.5°
N5	C16	C17	H26	90.0°	119.9°
N5	C16	C17	H27	90.0°	120.0°
N5	C16	C17	C18	90.0°	180.0°
C16	N5	H25	C45	90.0°	180.0°
N5	C16	H26	H27	90.0°	120.0°
N5	C16	C17	H28	90.0°	60.1°
N5	C16	C17	H29	90.0°	60.0°
C16	N5	C45	C13	90.0°	175.6°
C16	N5	C45	O17	90.0°	4.4°
C16	C17	C18	H28	90.0°	120.0°
C16	C17	C18	H29	90.0°	120.1°
C16	C17	C18	O15	90.0°	0.1°
C16	C17	C18	N6	90.0°	180.0°
C17	C16	N5	H25	90.0°	0.0°
C17	C16	H26	H27	90.0°	120.1°
C16	C17	H28	H29	90.0°	120.1°
C17	C16	N5	C45	90.0°	180.0°
C17	C18	O15	N6	90.0°	179.9°
C17	C18	N6	C19	90.0°	180.0°
C18	C17	C16	H26	90.0°	60.1°
C18	C17	C16	H27	90.0°	60.0°
C18	C17	H28	H29	90.0°	120.0°
C17	C18	N6	H30	90.0°	0.0°
O15	C18	N6	C19	90.0°	0.0°
O15	C18	C17	H28	90.0°	120.0°
O15	C18	C17	H29	90.0°	120.0°
O15	C18	N6	H30	90.0°	180.0°
C18	N6	C19	H30	90.0°	180.0°
C18	N6	C19	C20	90.0°	180.0°
N6	C18	C17	H28	90.0°	60.0°
N6	C18	C17	H29	90.0°	59.9°
C18	N6	C19	H31	90.0°	60.0°
C18	N6	C19	H32	90.0°	60.0°
N6	C19	C20	H31	90.0°	120.0°
N6	C19	C20	H32	90.0°	120.0°
N6	C19	C20	S1	90.0°	180.0°
N6	C19	H31	H32	90.0°	119.9°
N6	C19	C20	H33	90.0°	60.0°
N6	C19	C20	H34	90.0°	60.0°
C19	C20	S1	H33	90.0°	120.0°
C19	C20	S1	H34	90.0°	120.1°
C19	C20	S1	C22	90.0°	180.0°
C20	C19	N6	H30	90.0°	0.0°
C20	C19	H31	H32	90.0°	120.0°
C19	C20	H33	H34	90.0°	120.0°
C20	S1	C22	O16	90.0°	0.0°
C20	S1	C22	C23	90.0°	180.0°
S1	C20	C19	H31	90.0°	60.0°
S1	C20	C19	H32	90.0°	60.0°
S1	C20	H33	H34	90.0°	120.0°
S1	C22	O16	C23	90.0°	180.0°
S1	C22	C23	C24	90.0°	60.0°
S1	C22	C23	C25	90.0°	60.0°
S1	C22	C23	C26	90.0°	180.0°
C22	S1	C20	H33	90.0°	60.0°
C22	S1	C20	H34	90.0°	59.9°
O16	C22	C23	C24	90.0°	120.0°
O16	C22	C23	C25	90.0°	120.0°
O16	C22	C23	C26	90.0°	0.0°
C22	C23	C24	C25	90.0°	120.0°
C22	C23	C24	C26	90.0°	120.0°
C22	C23	C25	C26	90.0°	120.0°
C22	C23	C26	C27	90.0°	180.0°
C22	C23	C24	H37	90.0°	60.1°
C22	C23	C24	H38	90.0°	180.0°
C22	C23	C24	H39	90.0°	60.0°
C22	C23	C25	H40	90.0°	60.0°
C22	C23	C25	H41	90.0°	180.0°
C22	C23	C25	H42	90.0°	60.0°
C22	C23	C26	H43	90.0°	60.0°
C22	C23	C26	H44	90.0°	60.0°
C24	C23	C25	C26	90.0°	120.0°
C24	C23	C26	C27	90.0°	60.0°
C23	C24	H37	H38	90.0°	119.9°
C23	C24	H37	H39	90.0°	120.0°
C23	C24	H38	H39	90.0°	120.0°
C24	C23	C25	H40	90.0°	180.0°
C24	C23	C25	H41	90.0°	60.0°
C24	C23	C25	H42	90.0°	60.0°
C24	C23	C26	H43	90.0°	180.0°
C24	C23	C26	H44	90.0°	60.0°
C25	C23	C26	C27	90.0°	60.0°
C25	C23	C24	H37	90.0°	60.0°
C25	C23	C24	H38	90.0°	60.0°
C25	C23	C24	H39	90.0°	180.0°
C23	C25	H40	H41	90.0°	120.0°
C23	C25	H40	H42	90.0°	120.0°
C23	C25	H41	H42	90.0°	120.0°
C25	C23	C26	H43	90.0°	60.0°
C25	C23	C26	H44	90.0°	180.0°
C23	C26	C27	H43	90.0°	120.0°
C23	C26	C27	H44	90.0°	120.0°
C23	C26	C27	C28	90.0°	180.0°
C26	C23	C24	H37	90.0°	180.0°
C26	C23	C24	H38	90.0°	60.0°
C26	C23	C24	H39	90.0°	60.0°
C26	C23	C25	H40	90.0°	60.0°
C26	C23	C25	H41	90.0°	60.0°
C26	C23	C25	H42	90.0°	180.0°
C23	C26	H43	H44	90.0°	120.0°
C23	C26	C27	H45	90.0°	60.0°
C23	C26	C27	H46	90.0°	60.0°
C26	C27	C28	H45	90.0°	120.0°
C26	C27	C28	H46	90.0°	120.0°
C26	C27	C28	C29	90.0°	180.0°
C27	C26	H43	H44	90.0°	120.0°
C26	C27	H45	H46	90.0°	120.0°
C26	C27	C28	H47	90.0°	60.0°
C26	C27	C28	H48	90.0°	59.9°
C27	C28	C29	H47	90.0°	120.0°
C27	C28	C29	H48	90.0°	120.0°
C27	C28	C29	C30	90.0°	180.0°
C28	C27	C26	H43	90.0°	60.0°
C28	C27	C26	H44	90.0°	60.0°
C28	C27	H45	H46	90.0°	120.0°
C27	C28	H47	H48	90.0°	120.0°
C27	C28	C29	H49	90.0°	60.0°
C27	C28	C29	H50	90.0°	59.9°
C28	C29	C30	H49	90.0°	120.0°
C28	C29	C30	H50	90.0°	120.0°
C28	C29	C30	C31	90.0°	90.0°
C28	C29	C30	C35	90.0°	90.3°
C29	C28	C27	H45	90.0°	60.0°
C29	C28	C27	H46	90.0°	60.0°
C29	C28	H47	H48	90.0°	120.0°
C28	C29	H49	H50	90.0°	119.9°
C29	C30	C31	C35	90.0°	179.7°
C29	C30	C31	C32	90.0°	180.0°
C29	C30	C35	C34	90.0°	179.8°
C30	C29	C28	H47	90.0°	60.0°
C30	C29	C28	H48	90.0°	60.0°
C30	C29	H49	H50	90.0°	120.0°
C29	C30	C31	H51	90.0°	0.1°
C29	C30	C35	H54	90.0°	0.2°
C30	C31	C32	H51	90.0°	179.9°
C30	C31	C32	C33	90.0°	0.1°
C31	C30	C35	C34	90.0°	0.5°
C31	C30	C29	H49	90.0°	30.0°
C31	C30	C29	H50	90.0°	150.0°
C30	C31	C32	H52	90.0°	179.9°
C31	C30	C35	H54	90.0°	179.9°
C31	C32	C33	H52	90.0°	180.0°
C31	C32	C33	C34	90.0°	0.0°
C32	C31	C30	C35	90.0°	0.3°
C31	C32	C33	C36	90.0°	180.0°
C32	C33	C34	C36	90.0°	180.0°
C32	C33	C34	C35	90.0°	0.2°
C32	C33	C36	C37	90.0°	90.0°
C33	C32	C31	H51	90.0°	180.0°
C32	C33	C34	H53	90.0°	180.0°
C32	C33	C36	H55	90.0°	150.0°
C32	C33	C36	H56	90.0°	30.0°
C33	C34	C35	H53	90.0°	179.9°
C33	C34	C35	C30	90.0°	0.4°
C34	C33	C36	C37	90.0°	90.0°
C34	C33	C32	H52	90.0°	180.0°
C33	C34	C35	H54	90.0°	180.0°
C34	C33	C36	H55	90.0°	30.0°
C34	C33	C36	H56	90.0°	150.0°
C34	C35	C30	H54	90.0°	179.6°
C35	C34	C33	C36	90.0°	179.9°
C35	C30	C29	H49	90.0°	149.7°
C35	C30	C29	H50	90.0°	29.7°
C35	C30	C31	H51	90.0°	179.8°
C30	C35	C34	H53	90.0°	179.7°
C33	C36	C37	H55	90.0°	120.0°
C33	C36	C37	H56	90.0°	120.0°
C33	C36	C37	C38	90.0°	180.0°
C36	C33	C32	H52	90.0°	0.0°
C36	C33	C34	H53	90.0°	0.0°
C33	C36	H55	H56	90.0°	120.0°
C33	C36	C37	H57	90.0°	60.0°
C33	C36	C37	H58	90.0°	60.0°
C36	C37	C38	H57	90.0°	120.0°
C36	C37	C38	H58	90.0°	120.0°
C36	C37	C38	C39	90.0°	180.0°
C37	C36	H55	H56	90.0°	120.0°
C36	C37	H57	H58	90.0°	120.0°
C36	C37	C38	H59	90.0°	60.0°
C36	C37	C38	H60	90.0°	60.0°
C37	C38	C39	H59	90.0°	119.9°
C37	C38	C39	H60	90.0°	120.0°
C37	C38	C39	C40	90.0°	180.0°
C38	C37	C36	H55	90.0°	60.0°
C38	C37	C36	H56	90.0°	60.0°
C38	C37	H57	H58	90.0°	120.0°
C37	C38	H59	H60	90.0°	120.0°
C37	C38	C39	H61	90.0°	60.0°
C37	C38	C39	H62	90.0°	60.0°
C38	C39	C40	H61	90.0°	120.0°
C38	C39	C40	H62	90.0°	120.0°
C38	C39	C40	C41	90.0°	180.0°
C38	C39	C40	C42	90.0°	60.0°
C38	C39	C40	C43	90.0°	60.0°
C39	C38	C37	H57	90.0°	60.0°
C39	C38	C37	H58	90.0°	60.0°
C39	C38	H59	H60	90.0°	120.1°
C38	C39	H61	H62	90.0°	120.1°
C39	C40	C41	C42	90.0°	120.0°
C39	C40	C41	C43	90.0°	120.0°
C39	C40	C42	C43	90.0°	120.0°
C39	C40	C41	O18	90.0°	0.0°
C40	C39	C38	H59	90.0°	60.1°
C40	C39	C38	H60	90.0°	60.0°
C40	C39	H61	H62	90.0°	120.0°
C39	C40	C42	H63	90.0°	60.0°
C39	C40	C42	H64	90.0°	180.0°
C39	C40	C42	H65	90.0°	60.0°
C39	C40	C43	H66	90.0°	59.9°
C39	C40	C43	H67	90.0°	180.0°
C39	C40	C43	H68	90.0°	60.0°
C39	C40	C41	O19	90.0°	180.0°
C41	C40	C42	C43	90.0°	120.0°
C40	C41	O18	O19	90.0°	180.0°
C41	C40	C39	H61	90.0°	60.0°
C41	C40	C39	H62	90.0°	60.0°
C41	C40	C42	H63	90.0°	180.0°
C41	C40	C42	H64	90.0°	60.0°
C41	C40	C42	H65	90.0°	60.0°
C41	C40	C43	H66	90.0°	60.1°
C41	C40	C43	H67	90.0°	60.0°
C41	C40	C43	H68	90.0°	180.0°
C40	C41	O19	H69	90.0°	180.0°
C42	C40	C41	O18	90.0°	120.0°
C42	C40	C39	H61	90.0°	180.0°
C42	C40	C39	H62	90.0°	60.0°
C40	C42	H63	H64	90.0°	120.0°
C40	C42	H63	H65	90.0°	120.0°
C40	C42	H64	H65	90.0°	120.0°
C42	C40	C43	H66	90.0°	179.9°
C42	C40	C43	H67	90.0°	60.0°
C42	C40	C43	H68	90.0°	60.0°
C42	C40	C41	O19	90.0°	60.0°
C43	C40	C41	O18	90.0°	120.0°
C43	C40	C39	H61	90.0°	60.0°
C43	C40	C39	H62	90.0°	180.0°
C43	C40	C42	H63	90.0°	60.0°
C43	C40	C42	H64	90.0°	60.0°
C43	C40	C42	H65	90.0°	180.0°
C40	C43	H66	H67	90.0°	120.0°
C40	C43	H66	H68	90.0°	119.9°
C40	C43	H67	H68	90.0°	120.0°
C43	C40	C41	O19	90.0°	60.0°
O18	C41	O19	H69	90.0°	0.0°
H18	C14	H19	H20	90.0°	119.9°
H21	C15	H22	H23	90.0°	120.0°
H24	O13	C13	C45	90.0°	60.0°
H24	O13	C13	H70	90.0°	180.0°
H25	N5	C16	H26	90.0°	120.0°
H25	N5	C16	H27	90.0°	120.0°
H25	N5	C45	C13	90.0°	4.4°
H25	N5	C45	O17	90.0°	175.5°
H26	C16	C17	H28	90.0°	180.0°
H26	C16	C17	H29	90.0°	60.0°
H26	C16	N5	C45	90.0°	60.0°
H27	C16	C17	H28	90.0°	60.0°
H27	C16	C17	H29	90.0°	180.0°
H27	C16	N5	C45	90.0°	60.0°
H30	N6	C19	H31	90.0°	120.0°
H30	N6	C19	H32	90.0°	120.1°
H31	C19	C20	H33	90.0°	180.0°
H31	C19	C20	H34	90.0°	60.1°
H32	C19	C20	H33	90.0°	60.1°
H32	C19	C20	H34	90.0°	NaN°
H37	C24	H38	H39	90.0°	120.1°
H40	C25	H41	H42	90.0°	120.0°
H43	C26	C27	H45	90.0°	180.0°
H43	C26	C27	H46	90.0°	60.0°
H44	C26	C27	H45	90.0°	60.0°
H44	C26	C27	H46	90.0°	180.0°
H45	C27	C28	H47	90.0°	180.0°
H45	C27	C28	H48	90.0°	60.0°
H46	C27	C28	H47	90.0°	60.0°
H46	C27	C28	H48	90.0°	180.0°
H47	C28	C29	H49	90.0°	180.0°
H47	C28	C29	H50	90.0°	60.1°
H48	C28	C29	H49	90.0°	60.1°
H48	C28	C29	H50	90.0°	180.0°
H51	C31	C32	H52	90.0°	0.0°
H53	C34	C35	H54	90.0°	0.1°
H55	C36	C37	H57	90.0°	180.0°
H55	C36	C37	H58	90.0°	60.0°
H56	C36	C37	H57	90.0°	60.0°
H56	C36	C37	H58	90.0°	180.0°
H57	C37	C38	H59	90.0°	180.0°
H57	C37	C38	H60	90.0°	60.0°
H58	C37	C38	H59	90.0°	60.0°
H58	C37	C38	H60	90.0°	180.0°
H59	C38	C39	H61	90.0°	180.0°
H59	C38	C39	H62	90.0°	59.9°
H60	C38	C39	H61	90.0°	59.9°
H60	C38	C39	H62	90.0°	180.0°
H63	C42	H64	H65	90.0°	120.0°
H66	C43	H67	H68	90.0°	120.0°
C13	C45	N5	O17	90.0°	180.0°
N5	C45	C13	H70	90.0°	51.5°
H70	C13	C45	O17	90.0°	128.5°

Release date:	2026-03-04
Definition date:	2023-04-24
Last modified:	2026-02-27
Release status:	REL
Processing site:	PDBE
Derived from:	8OS4