PRD_002043

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	0.00Å	1.25Å
C1	C2	sing	0.00Å	1.56Å
C2	H1	sing	0.00Å	1.10Å
C2	H2	sing	0.00Å	1.10Å
C2	H3	sing	0.00Å	1.10Å
N1	C3	sing	0.00Å	1.51Å
N1	H4	sing	0.00Å	1.00Å
C3	C4	sing	0.00Å	1.56Å
C3	C5	sing	0.00Å	1.58Å
C3	H5	sing	0.00Å	1.10Å
C4	O2	doub	0.00Å	1.24Å
C5	C6	sing	0.00Å	1.53Å
C5	C7	sing	0.00Å	1.55Å
C5	H6	sing	0.00Å	1.10Å
C6	H7	sing	0.00Å	1.10Å
C6	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
C7	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C7	H12	sing	0.00Å	1.10Å
N2	C8	sing	0.00Å	1.47Å
N2	H13	sing	0.00Å	1.00Å
C8	C9	sing	0.00Å	1.56Å
C8	C10	sing	0.00Å	1.55Å
C8	H14	sing	0.00Å	1.10Å
C9	O3	doub	0.00Å	1.23Å
C10	O4	sing	0.00Å	1.42Å
C10	C11	sing	0.00Å	1.55Å
C10	H15	sing	0.00Å	1.10Å
O4	H16	sing	0.00Å	0.95Å
C11	H17	sing	0.00Å	1.10Å
C11	H18	sing	0.00Å	1.10Å
C11	H19	sing	0.00Å	1.10Å
N3	C12	sing	0.00Å	1.50Å
N3	C16	sing	0.00Å	1.50Å
C12	C13	sing	0.00Å	1.40Å
C12	C14	sing	0.00Å	1.52Å
C12	H20	sing	0.00Å	1.10Å
C13	O5	doub	0.00Å	1.24Å
C14	C15	sing	0.00Å	1.50Å
C14	H21	sing	0.00Å	1.10Å
C14	H22	sing	0.00Å	1.10Å
C15	C16	sing	0.00Å	1.51Å
C15	H23	sing	0.00Å	1.10Å
C15	H24	sing	0.00Å	1.10Å
C16	H25	sing	0.00Å	1.10Å
C16	H26	sing	0.00Å	1.10Å
N4	C17	sing	0.00Å	1.46Å
N4	H27	sing	0.00Å	1.00Å
C17	C18	sing	0.00Å	1.53Å
C17	C19	sing	0.00Å	1.52Å
C17	H28	sing	0.00Å	1.10Å
C18	O6	doub	0.00Å	1.24Å
C19	C20	sing	0.00Å	1.51Å
C19	C21	sing	0.00Å	1.51Å
C19	H29	sing	0.00Å	1.10Å
C20	H30	sing	0.00Å	1.10Å
C20	H31	sing	0.00Å	1.10Å
C20	H32	sing	0.00Å	1.10Å
C21	H33	sing	0.00Å	1.10Å
C21	H34	sing	0.00Å	1.10Å
C21	H35	sing	0.00Å	1.10Å
C22	C23	sing	0.00Å	1.52Å
C22	O9	sing	0.00Å	141.18Å
C23	C24	sing	0.00Å	1.52Å
C24	O7	sing	0.00Å	1.41Å
O7	C25	sing	0.00Å	1.42Å
C25	C26	sing	0.00Å	1.52Å
C26	C27	sing	0.00Å	1.50Å
C26	N5	sing	0.00Å	1.48Å
C27	O8	doub	0.00Å	1.23Å
C22	H36	sing	0.00Å	1.10Å
C22	H37	sing	0.00Å	1.10Å
C23	H38	sing	0.00Å	1.10Å
C23	H39	sing	0.00Å	1.10Å
O9	H40	sing	0.00Å	0.00Å
C24	H41	sing	0.00Å	1.10Å
C24	H42	sing	0.00Å	1.10Å
C25	H43	sing	0.00Å	1.10Å
C25	H44	sing	0.00Å	1.10Å
C26	H45	sing	0.00Å	1.10Å
N5	H46	sing	0.00Å	1.00Å
N6	C28	sing	0.00Å	1.49Å
N6	H47	sing	0.00Å	1.00Å
C28	C29	sing	0.00Å	1.52Å
C28	C30	sing	0.00Å	1.55Å
C28	H48	sing	0.00Å	1.10Å
C29	O10	doub	0.00Å	1.22Å
C30	O11	sing	0.00Å	1.41Å
C30	C31	sing	0.00Å	1.55Å
C30	H49	sing	0.00Å	1.10Å
O11	H50	sing	0.00Å	0.95Å
C31	H51	sing	0.00Å	1.10Å
C31	H52	sing	0.00Å	1.10Å
C31	H53	sing	0.00Å	1.10Å
N7	C32	sing	0.00Å	1.47Å
N7	H54	sing	0.00Å	1.00Å
C32	C33	sing	0.00Å	1.50Å
C32	C34	sing	0.00Å	1.54Å
C32	H55	sing	0.00Å	1.10Å
C33	O12	doub	0.00Å	1.37Å
C34	H56	sing	0.00Å	1.10Å
C34	H57	sing	0.00Å	1.10Å
C34	H58	sing	0.00Å	1.10Å
N8	H59	sing	0.00Å	1.00Å
N8	H60	sing	0.00Å	1.00Å
C1	N1	sing	0.00Å	1.39Å
C4	N2	sing	0.00Å	1.34Å
C9	N3	sing	0.00Å	1.36Å
C13	N4	sing	0.00Å	1.34Å
C18	N5	sing	0.00Å	1.36Å
C27	N6	sing	0.00Å	1.33Å
C29	N7	sing	0.00Å	1.33Å
C33	N8	sing	0.00Å	1.32Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	119.2°	90.0°
O1	C1	N1	127.6°	90.0°
C1	C2	H1	109.5°	90.0°
C1	C2	H2	109.5°	90.0°
C1	C2	H3	109.5°	90.0°
C2	C1	N1	113.2°	90.0°
H1	C2	H2	109.4°	90.0°
H1	C2	H3	109.5°	90.0°
H2	C2	H3	109.5°	90.0°
C3	N1	H4	114.9°	90.0°
N1	C3	C4	112.4°	90.0°
N1	C3	C5	118.2°	90.0°
N1	C3	H5	105.4°	90.0°
C3	N1	C1	130.2°	90.0°
H4	N1	C1	114.9°	90.0°
C4	C3	C5	109.8°	90.0°
C4	C3	H5	104.9°	90.0°
C3	C4	O2	121.4°	90.0°
C3	C4	N2	114.6°	90.0°
C5	C3	H5	104.8°	90.0°
C3	C5	C6	106.1°	90.0°
C3	C5	C7	116.2°	90.0°
C3	C5	H6	108.8°	90.0°
O2	C4	N2	123.9°	90.0°
C6	C5	C7	107.1°	90.0°
C6	C5	H6	109.3°	90.0°
C5	C6	H7	109.5°	90.0°
C5	C6	H8	109.5°	90.0°
C5	C6	H9	109.5°	90.0°
C7	C5	H6	109.1°	90.0°
C5	C7	H10	109.5°	90.0°
C5	C7	H11	109.5°	90.0°
C5	C7	H12	109.5°	90.0°
H7	C6	H8	109.4°	90.0°
H7	C6	H9	109.5°	90.0°
H8	C6	H9	109.5°	90.0°
H10	C7	H11	109.4°	90.0°
H10	C7	H12	109.5°	90.0°
H11	C7	H12	109.5°	90.0°
C8	N2	H13	117.9°	90.0°
N2	C8	C9	105.7°	90.0°
N2	C8	C10	111.8°	90.0°
N2	C8	H14	108.7°	90.0°
C8	N2	C4	124.2°	90.0°
H13	N2	C4	117.9°	90.0°
C9	C8	C10	114.9°	90.0°
C9	C8	H14	107.6°	90.0°
C8	C9	O3	119.8°	90.0°
C8	C9	N3	115.8°	90.0°
C10	C8	H14	107.8°	90.0°
C8	C10	O4	107.1°	90.0°
C8	C10	C11	113.0°	90.0°
C8	C10	H15	108.3°	90.0°
O3	C9	N3	124.4°	90.0°
O4	C10	C11	109.9°	90.0°
O4	C10	H15	110.1°	90.0°
C10	O4	H16	109.5°	90.0°
C11	C10	H15	108.4°	90.0°
C10	C11	H17	109.5°	90.0°
C10	C11	H18	109.5°	90.0°
C10	C11	H19	109.4°	90.0°
H17	C11	H18	109.4°	90.0°
H17	C11	H19	109.5°	90.0°
H18	C11	H19	109.5°	90.0°
C12	N3	C16	106.7°	90.0°
N3	C12	C13	113.0°	90.0°
N3	C12	C14	106.4°	90.0°
N3	C12	H20	108.6°	90.0°
C12	N3	C9	130.5°	90.0°
N3	C16	C15	105.4°	90.0°
N3	C16	H25	110.5°	90.0°
N3	C16	H26	110.5°	90.0°
C16	N3	C9	122.7°	90.0°
C13	C12	C14	110.3°	90.0°
C13	C12	H20	110.0°	90.0°
C12	C13	O5	123.2°	90.0°
C12	C13	N4	112.8°	90.0°
C14	C12	H20	108.4°	90.0°
C12	C14	C15	104.1°	90.0°
C12	C14	H21	110.8°	90.0°
C12	C14	H22	110.8°	90.0°
O5	C13	N4	124.0°	90.0°
C15	C14	H21	110.8°	90.0°
C15	C14	H22	110.8°	90.0°
C14	C15	C16	103.5°	90.0°
C14	C15	H23	110.9°	90.0°
C14	C15	H24	110.9°	90.0°
H21	C14	H22	109.5°	90.0°
C16	C15	H23	110.9°	90.0°
C16	C15	H24	110.9°	90.0°
C15	C16	H25	110.5°	90.0°
C15	C16	H26	110.5°	90.0°
H23	C15	H24	109.5°	90.0°
H25	C16	H26	109.5°	90.0°
C17	N4	H27	117.0°	90.0°
N4	C17	C18	109.1°	90.0°
N4	C17	C19	97.9°	90.0°
N4	C17	H28	114.5°	90.0°
C17	N4	C13	126.0°	90.0°
H27	N4	C13	117.0°	90.0°
C18	C17	C19	107.6°	90.0°
C18	C17	H28	113.2°	90.0°
C17	C18	O6	119.1°	90.0°
C17	C18	N5	117.4°	90.0°
C19	C17	H28	113.4°	90.0°
C17	C19	C20	108.9°	90.0°
C17	C19	C21	113.8°	90.0°
C17	C19	H29	108.2°	90.0°
O6	C18	N5	123.4°	90.0°
C20	C19	C21	109.1°	90.0°
C20	C19	H29	108.4°	90.0°
C19	C20	H30	109.5°	90.0°
C19	C20	H31	109.5°	90.0°
C19	C20	H32	109.5°	90.0°
C21	C19	H29	108.3°	90.0°
C19	C21	H33	109.5°	90.0°
C19	C21	H34	109.5°	90.0°
C19	C21	H35	109.4°	90.0°
H30	C20	H31	109.5°	90.0°
H30	C20	H32	109.4°	90.0°
H31	C20	H32	109.4°	90.0°
H33	C21	H34	109.4°	90.0°
H33	C21	H35	109.5°	90.0°
H34	C21	H35	109.5°	90.0°
C23	C22	O9	125.6°	90.0°
C22	C23	C24	106.1°	90.0°
C23	C22	H36	105.3°	90.0°
C23	C22	H37	105.3°	90.0°
C22	C23	H38	110.3°	90.0°
C22	C23	H39	110.3°	90.0°
O9	C22	H36	105.3°	90.0°
O9	C22	H37	105.3°	90.0°
C22	O9	H40	90.0°	90.0°
C23	C24	O7	106.5°	90.0°
C24	C23	H38	110.3°	90.0°
C24	C23	H39	110.3°	90.0°
C23	C24	H41	110.2°	90.0°
C23	C24	H42	110.2°	90.0°
C24	O7	C25	108.8°	90.0°
O7	C24	H41	110.2°	90.0°
O7	C24	H42	110.2°	90.0°
O7	C25	C26	108.6°	90.0°
O7	C25	H43	109.7°	90.0°
O7	C25	H44	109.7°	90.0°
C25	C26	C27	105.7°	90.0°
C25	C26	N5	110.9°	90.0°
C26	C25	H43	109.7°	90.0°
C26	C25	H44	109.7°	90.0°
C25	C26	H45	110.6°	90.0°
C27	C26	N5	107.4°	90.0°
C26	C27	O8	119.3°	90.0°
C27	C26	H45	110.9°	90.0°
C26	C27	N6	115.7°	90.0°
N5	C26	H45	111.2°	90.0°
C26	N5	H46	118.9°	90.0°
C26	N5	C18	122.2°	90.0°
O8	C27	N6	125.0°	90.0°
H36	C22	H37	109.5°	90.0°
H38	C23	H39	109.5°	90.0°
H41	C24	H42	109.5°	90.0°
H43	C25	H44	109.4°	90.0°
H46	N5	C18	118.9°	90.0°
C28	N6	H47	119.7°	90.0°
N6	C28	C29	109.8°	90.0°
N6	C28	C30	113.0°	90.0°
N6	C28	H48	107.9°	90.0°
C28	N6	C27	120.7°	90.0°
H47	N6	C27	119.7°	90.0°
C29	C28	C30	111.1°	90.0°
C29	C28	H48	107.5°	90.0°
C28	C29	O10	120.3°	90.0°
C28	C29	N7	115.2°	90.0°
C30	C28	H48	107.2°	90.0°
C28	C30	O11	109.5°	90.0°
C28	C30	C31	111.9°	90.0°
C28	C30	H49	108.7°	90.0°
O10	C29	N7	124.5°	90.0°
O11	C30	C31	107.4°	90.0°
O11	C30	H49	110.7°	90.0°
C30	O11	H50	109.5°	90.0°
C31	C30	H49	108.7°	90.0°
C30	C31	H51	109.5°	90.0°
C30	C31	H52	109.5°	90.0°
C30	C31	H53	109.5°	90.0°
H51	C31	H52	109.4°	90.0°
H51	C31	H53	109.5°	90.0°
H52	C31	H53	109.5°	90.0°
C32	N7	H54	119.0°	90.0°
N7	C32	C33	110.3°	90.0°
N7	C32	C34	111.0°	90.0°
N7	C32	H55	109.6°	90.0°
C32	N7	C29	122.0°	90.0°
H54	N7	C29	119.0°	90.0°
C33	C32	C34	107.8°	90.0°
C33	C32	H55	109.3°	90.0°
C32	C33	O12	118.4°	90.0°
C32	C33	N8	114.2°	90.0°
C34	C32	H55	108.7°	90.0°
C32	C34	H56	109.5°	90.0°
C32	C34	H57	109.4°	90.0°
C32	C34	H58	109.5°	90.0°
O12	C33	N8	127.4°	90.0°
H56	C34	H57	109.5°	90.0°
H56	C34	H58	109.4°	90.0°
H57	C34	H58	109.5°	90.0°
H59	N8	H60	120.0°	90.0°
H59	N8	C33	120.0°	90.0°
H60	N8	C33	120.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	N1	179.8°	90.0°
O1	C1	C2	H1	0.0°	90.0°
O1	C1	C2	H2	120.0°	90.0°
O1	C1	C2	H3	120.0°	90.0°
O1	C1	N1	C3	2.6°	90.0°
O1	C1	N1	H4	177.4°	90.0°
C1	C2	H1	H2	120.0°	90.0°
C1	C2	H1	H3	120.0°	90.0°
C1	C2	H2	H3	120.0°	90.0°
C2	C1	N1	C3	177.6°	90.0°
C2	C1	N1	H4	2.4°	90.0°
H1	C2	H2	H3	120.0°	90.0°
H1	C2	C1	N1	179.8°	90.0°
H2	C2	C1	N1	59.9°	90.0°
H3	C2	C1	N1	60.1°	90.0°
C3	N1	H4	C1	180.0°	90.0°
N1	C3	C4	C5	133.8°	90.0°
N1	C3	C4	H5	114.1°	90.0°
N1	C3	C5	H5	117.0°	90.0°
N1	C3	C4	O2	145.5°	90.0°
N1	C3	C5	C6	142.9°	90.0°
N1	C3	C5	C7	98.1°	90.0°
N1	C3	C5	H6	25.4°	90.0°
N1	C3	C4	N2	37.0°	90.0°
H4	N1	C3	C4	91.4°	90.0°
H4	N1	C3	C5	139.1°	90.0°
H4	N1	C3	H5	22.4°	90.0°
C4	C3	C5	H5	112.2°	90.0°
C3	C4	O2	N2	177.2°	90.0°
C4	C3	C5	C6	86.3°	90.0°
C4	C3	C5	C7	32.7°	90.0°
C4	C3	C5	H6	156.2°	90.0°
C3	C4	N2	C8	177.8°	90.0°
C3	C4	N2	H13	2.2°	90.0°
C4	C3	N1	C1	88.6°	90.0°
C5	C3	C4	O2	80.7°	90.0°
C3	C5	C6	C7	124.8°	90.0°
C3	C5	C6	H6	117.1°	90.0°
C3	C5	C7	H6	123.4°	90.0°
C3	C5	C6	H7	180.0°	90.0°
C3	C5	C6	H8	60.0°	90.0°
C3	C5	C6	H9	60.0°	90.0°
C3	C5	C7	H10	180.0°	90.0°
C3	C5	C7	H11	60.0°	90.0°
C3	C5	C7	H12	60.0°	90.0°
C5	C3	N1	C1	40.9°	90.0°
C5	C3	C4	N2	96.7°	90.0°
H5	C3	C4	O2	31.4°	90.0°
H5	C3	C5	C6	25.9°	90.0°
H5	C3	C5	C7	144.9°	90.0°
H5	C3	C5	H6	91.5°	90.0°
H5	C3	N1	C1	157.6°	90.0°
H5	C3	C4	N2	151.1°	90.0°
O2	C4	N2	C8	4.8°	90.0°
O2	C4	N2	H13	175.2°	90.0°
C6	C5	C7	H6	118.2°	90.0°
C5	C6	H7	H8	120.0°	90.0°
C5	C6	H7	H9	120.0°	90.0°
C5	C6	H8	H9	120.0°	90.0°
C6	C5	C7	H10	61.6°	90.0°
C6	C5	C7	H11	178.4°	90.0°
C6	C5	C7	H12	58.4°	90.0°
C7	C5	C6	H7	55.2°	90.0°
C7	C5	C6	H8	64.8°	90.0°
C7	C5	C6	H9	175.2°	90.0°
C5	C7	H10	H11	120.0°	90.0°
C5	C7	H10	H12	120.0°	90.0°
C5	C7	H11	H12	120.0°	90.0°
H6	C5	C6	H7	62.9°	90.0°
H6	C5	C6	H8	177.1°	90.0°
H6	C5	C6	H9	57.1°	90.0°
H6	C5	C7	H10	56.6°	90.0°
H6	C5	C7	H11	63.3°	90.0°
H6	C5	C7	H12	176.6°	90.0°
H7	C6	H8	H9	120.0°	90.0°
H10	C7	H11	H12	120.0°	90.0°
C8	N2	H13	C4	180.0°	90.0°
N2	C8	C9	C10	123.8°	90.0°
N2	C8	C9	H14	116.1°	90.0°
N2	C8	C10	H14	119.5°	90.0°
N2	C8	C9	O3	88.8°	90.0°
N2	C8	C10	O4	149.9°	90.0°
N2	C8	C10	C11	28.7°	90.0°
N2	C8	C10	H15	91.4°	90.0°
N2	C8	C9	N3	88.2°	90.0°
H13	N2	C8	C9	41.1°	90.0°
H13	N2	C8	C10	84.6°	90.0°
H13	N2	C8	H14	156.5°	90.0°
C9	C8	C10	H14	120.0°	90.0°
C8	C9	O3	N3	176.8°	90.0°
C9	C8	C10	O4	29.4°	90.0°
C9	C8	C10	C11	91.8°	90.0°
C9	C8	C10	H15	148.1°	90.0°
C8	C9	N3	C12	179.2°	90.0°
C8	C9	N3	C16	3.4°	90.0°
C9	C8	N2	C4	138.8°	90.0°
C10	C8	C9	O3	35.0°	90.0°
C8	C10	O4	C11	123.1°	90.0°
C8	C10	O4	H15	117.6°	90.0°
C8	C10	C11	H15	120.1°	90.0°
C8	C10	O4	H16	38.5°	90.0°
C8	C10	C11	H17	180.0°	90.0°
C8	C10	C11	H18	60.0°	90.0°
C8	C10	C11	H19	60.0°	90.0°
C10	C8	N2	C4	95.4°	90.0°
C10	C8	C9	N3	147.9°	90.0°
H14	C8	C9	O3	155.1°	90.0°
H14	C8	C10	O4	90.6°	90.0°
H14	C8	C10	C11	148.2°	90.0°
H14	C8	C10	H15	28.1°	90.0°
H14	C8	N2	C4	23.5°	90.0°
H14	C8	C9	N3	27.9°	90.0°
O3	C9	N3	C12	2.2°	90.0°
O3	C9	N3	C16	179.7°	90.0°
O4	C10	C11	H15	120.3°	90.0°
O4	C10	C11	H17	60.4°	90.0°
O4	C10	C11	H18	179.6°	90.0°
O4	C10	C11	H19	59.6°	90.0°
C11	C10	O4	H16	84.6°	90.0°
C10	C11	H17	H18	120.0°	90.0°
C10	C11	H17	H19	120.0°	90.0°
C10	C11	H18	H19	120.0°	90.0°
H15	C10	O4	H16	156.1°	90.0°
H15	C10	C11	H17	59.9°	90.0°
H15	C10	C11	H18	60.0°	90.0°
H15	C10	C11	H19	179.9°	90.0°
H17	C11	H18	H19	120.0°	90.0°
C12	N3	C16	C9	178.0°	90.0°
N3	C12	C13	C14	119.0°	90.0°
N3	C12	C13	H20	121.5°	90.0°
N3	C12	C14	H20	116.7°	90.0°
N3	C12	C13	O5	41.8°	90.0°
N3	C12	C14	C15	25.2°	90.0°
N3	C12	C14	H21	144.4°	90.0°
N3	C12	C14	H22	93.9°	90.0°
C12	N3	C16	C15	19.1°	90.0°
C12	N3	C16	H25	100.2°	90.0°
C12	N3	C16	H26	138.5°	90.0°
N3	C12	C13	N4	140.0°	90.0°
C16	N3	C12	C13	117.5°	90.0°
C16	N3	C12	C14	3.7°	90.0°
C16	N3	C12	H20	120.2°	90.0°
N3	C16	C15	C14	34.8°	90.0°
N3	C16	C15	H25	119.4°	90.0°
N3	C16	C15	H26	119.4°	90.0°
N3	C16	C15	H23	84.2°	90.0°
N3	C16	C15	H24	153.9°	90.0°
N3	C16	H25	H26	121.9°	90.0°
C13	C12	C14	H20	120.4°	90.0°
C12	C13	O5	N4	178.0°	90.0°
C13	C12	C14	C15	97.7°	90.0°
C13	C12	C14	H21	21.5°	90.0°
C13	C12	C14	H22	143.2°	90.0°
C12	C13	N4	C17	173.2°	90.0°
C12	C13	N4	H27	6.9°	90.0°
C13	C12	N3	C9	60.3°	90.0°
C14	C12	C13	O5	77.2°	90.0°
C12	C14	C15	H21	119.2°	90.0°
C12	C14	C15	H22	119.1°	90.0°
C12	C14	H21	H22	122.5°	90.0°
C12	C14	C15	C16	36.7°	90.0°
C12	C14	C15	H23	82.3°	90.0°
C12	C14	C15	H24	155.7°	90.0°
C14	C12	N3	C9	178.6°	90.0°
C14	C12	C13	N4	101.1°	90.0°
H20	C12	C13	O5	163.3°	90.0°
H20	C12	C14	C15	141.9°	90.0°
H20	C12	C14	H21	98.9°	90.0°
H20	C12	C14	H22	22.8°	90.0°
H20	C12	N3	C9	62.0°	90.0°
H20	C12	C13	N4	18.4°	90.0°
O5	C13	N4	C17	8.6°	90.0°
O5	C13	N4	H27	171.4°	90.0°
C15	C14	H21	H22	122.5°	90.0°
C14	C15	C16	H23	119.0°	90.0°
C14	C15	C16	H24	119.0°	90.0°
C14	C15	H23	H24	122.8°	90.0°
C14	C15	C16	H25	84.5°	90.0°
C14	C15	C16	H26	154.2°	90.0°
H21	C14	C15	C16	155.9°	90.0°
H21	C14	C15	H23	36.8°	90.0°
H21	C14	C15	H24	85.1°	90.0°
H22	C14	C15	C16	82.4°	90.0°
H22	C14	C15	H23	158.5°	90.0°
H22	C14	C15	H24	36.6°	90.0°
C16	C15	H23	H24	122.8°	90.0°
C15	C16	H25	H26	121.9°	90.0°
C15	C16	N3	C9	158.8°	90.0°
H23	C15	C16	H25	156.4°	90.0°
H23	C15	C16	H26	35.1°	90.0°
H24	C15	C16	H25	34.5°	90.0°
H24	C15	C16	H26	86.8°	90.0°
H25	C16	N3	C9	81.8°	90.0°
H26	C16	N3	C9	39.5°	90.0°
C17	N4	H27	C13	180.0°	90.0°
N4	C17	C18	C19	105.2°	90.0°
N4	C17	C18	H28	128.7°	90.0°
N4	C17	C19	H28	121.0°	90.0°
N4	C17	C18	O6	31.7°	90.0°
N4	C17	C19	C20	70.5°	90.0°
N4	C17	C19	C21	167.6°	90.0°
N4	C17	C19	H29	47.1°	90.0°
N4	C17	C18	N5	152.2°	90.0°
H27	N4	C17	C18	43.7°	90.0°
H27	N4	C17	C19	68.0°	90.0°
H27	N4	C17	H28	171.7°	90.0°
C18	C17	C19	H28	126.0°	90.0°
C17	C18	O6	N5	175.9°	90.0°
C18	C17	C19	C20	176.6°	90.0°
C18	C17	C19	C21	54.6°	90.0°
C18	C17	C19	H29	65.9°	90.0°
C17	C18	N5	C26	175.6°	90.0°
C17	C18	N5	H46	4.4°	90.0°
C18	C17	N4	C13	136.3°	90.0°
C19	C17	C18	O6	73.6°	90.0°
C17	C19	C20	C21	124.8°	90.0°
C17	C19	C20	H29	117.5°	90.0°
C17	C19	C21	H29	120.4°	90.0°
C17	C19	C20	H30	180.0°	90.0°
C17	C19	C20	H31	60.0°	90.0°
C17	C19	C20	H32	60.0°	90.0°
C17	C19	C21	H33	180.0°	90.0°
C17	C19	C21	H34	60.0°	90.0°
C17	C19	C21	H35	60.0°	90.0°
C19	C17	N4	C13	112.0°	90.0°
C19	C17	C18	N5	102.6°	90.0°
H28	C17	C18	O6	160.4°	90.0°
H28	C17	C19	C20	50.6°	90.0°
H28	C17	C19	C21	71.4°	90.0°
H28	C17	C19	H29	168.1°	90.0°
H28	C17	N4	C13	8.2°	90.0°
H28	C17	C18	N5	23.5°	90.0°
O6	C18	N5	C26	0.4°	90.0°
O6	C18	N5	H46	179.6°	90.0°
C20	C19	C21	H29	117.8°	90.0°
C19	C20	H30	H31	120.0°	90.0°
C19	C20	H30	H32	120.0°	90.0°
C19	C20	H31	H32	120.0°	90.0°
C20	C19	C21	H33	58.2°	90.0°
C20	C19	C21	H34	178.2°	90.0°
C20	C19	C21	H35	61.8°	90.0°
C21	C19	C20	H30	55.2°	90.0°
C21	C19	C20	H31	64.8°	90.0°
C21	C19	C20	H32	175.2°	90.0°
C19	C21	H33	H34	120.0°	90.0°
C19	C21	H33	H35	120.0°	90.0°
C19	C21	H34	H35	120.0°	90.0°
H29	C19	C20	H30	62.5°	90.0°
H29	C19	C20	H31	177.4°	90.0°
H29	C19	C20	H32	57.5°	90.0°
H29	C19	C21	H33	59.6°	90.0°
H29	C19	C21	H34	60.4°	90.0°
H29	C19	C21	H35	179.6°	90.0°
H30	C20	H31	H32	119.9°	90.0°
H33	C21	H34	H35	120.0°	90.0°
C23	C22	O9	H36	122.2°	90.0°
C23	C22	O9	H37	122.2°	90.0°
C22	C23	C24	H38	119.5°	90.0°
C22	C23	C24	H39	119.5°	90.0°
C22	C23	C24	O7	117.8°	90.0°
C23	C22	H36	H37	112.8°	90.0°
C22	C23	H38	H39	121.5°	90.0°
C23	C22	O9	H40	90.0°	90.0°
C22	C23	C24	H41	122.6°	90.0°
C22	C23	C24	H42	1.7°	90.0°
O9	C22	C23	C24	40.6°	90.0°
O9	C22	H36	H37	112.7°	90.0°
O9	C22	C23	H38	78.9°	90.0°
O9	C22	C23	H39	160.0°	90.0°
C23	C24	O7	H41	119.6°	90.0°
C23	C24	O7	H42	119.5°	90.0°
C23	C24	O7	C25	110.4°	90.0°
C24	C23	C22	H36	81.6°	90.0°
C24	C23	C22	H37	162.7°	90.0°
C24	C23	H38	H39	121.5°	90.0°
C23	C24	H41	H42	121.3°	90.0°
C24	O7	C25	C26	174.3°	90.0°
O7	C24	C23	H38	1.6°	90.0°
O7	C24	C23	H39	122.7°	90.0°
O7	C24	H41	H42	121.3°	90.0°
C24	O7	C25	H43	65.9°	90.0°
C24	O7	C25	H44	54.4°	90.0°
O7	C25	C26	H43	119.9°	90.0°
O7	C25	C26	H44	119.9°	90.0°
O7	C25	C26	C27	158.5°	90.0°
O7	C25	C26	N5	85.4°	90.0°
C25	O7	C24	H41	130.0°	90.0°
C25	O7	C24	H42	9.1°	90.0°
O7	C25	H43	H44	120.4°	90.0°
O7	C25	C26	H45	38.4°	90.0°
C25	C26	C27	N5	118.4°	90.0°
C25	C26	C27	H45	119.9°	90.0°
C25	C26	N5	H45	123.5°	90.0°
C25	C26	C27	O8	52.5°	90.0°
C26	C25	H43	H44	120.4°	90.0°
C25	C26	N5	H46	1.4°	90.0°
C25	C26	N5	C18	178.6°	90.0°
C25	C26	C27	N6	129.5°	90.0°
C27	C26	N5	H45	121.5°	90.0°
C26	C27	O8	N6	177.8°	90.0°
C27	C26	C25	H43	38.6°	90.0°
C27	C26	C25	H44	81.7°	90.0°
C27	C26	N5	H46	113.6°	90.0°
C26	C27	N6	C28	178.3°	90.0°
C26	C27	N6	H47	1.7°	90.0°
C27	C26	N5	C18	66.4°	90.0°
N5	C26	C27	O8	65.9°	90.0°
N5	C26	C25	H43	154.7°	90.0°
N5	C26	C25	H44	34.4°	90.0°
C26	N5	H46	C18	180.0°	90.0°
N5	C26	C27	N6	112.1°	90.0°
O8	C27	C26	H45	172.4°	90.0°
O8	C27	N6	C28	0.5°	90.0°
O8	C27	N6	H47	179.5°	90.0°
H36	C22	C23	H38	158.9°	90.0°
H36	C22	C23	H39	37.9°	90.0°
H36	C22	O9	H40	90.0°	90.0°
H37	C22	C23	H38	43.2°	90.0°
H37	C22	C23	H39	77.8°	90.0°
H37	C22	O9	H40	90.0°	90.0°
H38	C23	C24	H41	117.9°	90.0°
H38	C23	C24	H42	121.1°	90.0°
H39	C23	C24	H41	3.1°	90.0°
H39	C23	C24	H42	117.8°	90.0°
H43	C25	C26	H45	81.5°	90.0°
H44	C25	C26	H45	158.3°	90.0°
H45	C26	N5	H46	124.9°	90.0°
H45	C26	N5	C18	55.1°	90.0°
H45	C26	C27	N6	9.6°	90.0°
C28	N6	H47	C27	180.0°	90.0°
N6	C28	C29	C30	125.8°	90.0°
N6	C28	C29	H48	117.2°	90.0°
N6	C28	C30	H48	118.8°	90.0°
N6	C28	C29	O10	20.1°	90.0°
N6	C28	C30	O11	40.7°	90.0°
N6	C28	C30	C31	78.2°	90.0°
N6	C28	C30	H49	161.7°	90.0°
N6	C28	C29	N7	157.3°	90.0°
H47	N6	C28	C29	68.9°	90.0°
H47	N6	C28	C30	55.9°	90.0°
H47	N6	C28	H48	174.2°	90.0°
C29	C28	C30	H48	117.2°	90.0°
C28	C29	O10	N7	177.1°	90.0°
C29	C28	C30	O11	83.3°	90.0°
C29	C28	C30	C31	157.8°	90.0°
C29	C28	C30	H49	37.7°	90.0°
C28	C29	N7	C32	177.7°	90.0°
C28	C29	N7	H54	2.2°	90.0°
C29	C28	N6	C27	111.2°	90.0°
C30	C28	C29	O10	105.7°	90.0°
C28	C30	O11	C31	121.6°	90.0°
C28	C30	O11	H49	119.8°	90.0°
C28	C30	C31	H49	120.1°	90.0°
C28	C30	O11	H50	180.0°	90.0°
C28	C30	C31	H51	180.0°	90.0°
C28	C30	C31	H52	60.0°	90.0°
C28	C30	C31	H53	60.0°	90.0°
C30	C28	N6	C27	124.1°	90.0°
C30	C28	C29	N7	76.9°	90.0°
H48	C28	C29	O10	137.3°	90.0°
H48	C28	C30	O11	159.5°	90.0°
H48	C28	C30	C31	40.6°	90.0°
H48	C28	C30	H49	79.5°	90.0°
H48	C28	N6	C27	5.8°	90.0°
H48	C28	C29	N7	40.1°	90.0°
O10	C29	N7	C32	0.5°	90.0°
O10	C29	N7	H54	179.5°	90.0°
O11	C30	C31	H49	119.8°	90.0°
O11	C30	C31	H51	59.9°	90.0°
O11	C30	C31	H52	179.9°	90.0°
O11	C30	C31	H53	60.2°	90.0°
C31	C30	O11	H50	58.4°	90.0°
C30	C31	H51	H52	120.0°	90.0°
C30	C31	H51	H53	120.0°	90.0°
C30	C31	H52	H53	120.0°	90.0°
H49	C30	O11	H50	60.2°	90.0°
H49	C30	C31	H51	59.9°	90.0°
H49	C30	C31	H52	60.1°	90.0°
H49	C30	C31	H53	180.0°	90.0°
H51	C31	H52	H53	120.0°	90.0°
C32	N7	H54	C29	180.0°	90.0°
N7	C32	C33	C34	121.4°	90.0°
N7	C32	C33	H55	120.6°	90.0°
N7	C32	C34	H55	120.7°	90.0°
N7	C32	C33	O12	35.2°	90.0°
N7	C32	C34	H56	180.0°	90.0°
N7	C32	C34	H57	60.0°	90.0°
N7	C32	C34	H58	60.0°	90.0°
N7	C32	C33	N8	148.2°	90.0°
H54	N7	C32	C33	95.8°	90.0°
H54	N7	C32	C34	23.6°	90.0°
H54	N7	C32	H55	143.8°	90.0°
C33	C32	C34	H55	118.4°	90.0°
C32	C33	O12	N8	176.0°	90.0°
C33	C32	C34	H56	59.0°	90.0°
C33	C32	C34	H57	179.0°	90.0°
C33	C32	C34	H58	60.9°	90.0°
C32	C33	N8	H59	176.2°	90.0°
C32	C33	N8	H60	3.8°	90.0°
C33	C32	N7	C29	84.2°	90.0°
C34	C32	C33	O12	86.1°	90.0°
C32	C34	H56	H57	120.0°	90.0°
C32	C34	H56	H58	120.0°	90.0°
C32	C34	H57	H58	120.0°	90.0°
C34	C32	N7	C29	156.4°	90.0°
C34	C32	C33	N8	90.4°	90.0°
H55	C32	C33	O12	155.9°	90.0°
H55	C32	C34	H56	59.3°	90.0°
H55	C32	C34	H57	60.7°	90.0°
H55	C32	C34	H58	179.3°	90.0°
H55	C32	N7	C29	36.2°	90.0°
H55	C32	C33	N8	27.6°	90.0°
O12	C33	N8	H59	0.0°	90.0°
O12	C33	N8	H60	180.0°	90.0°
H56	C34	H57	H58	120.0°	90.0°
H59	N8	H60	C33	180.0°	90.0°

Release date:	2013-12-04
Last modified:	2022-10-29
Processing site:	RCSB