PRD_000257

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.40Å
C1	C2	sing	1.51Å	1.47Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
N1	C3	sing	1.47Å	1.36Å
N1	H4	sing	0.97Å	1.00Å
C3	C4	sing	1.51Å	1.48Å
C3	C11	sing	1.53Å	1.65Å
C3	H5	sing	1.09Å	1.10Å
C4	O2	doub	1.21Å	1.29Å
N2	C12	sing	1.38Å	1.29Å
N2	H6	sing	0.97Å	1.00Å
N2	H7	sing	0.97Å	1.00Å
N3	C12	doub	1.30Å	1.20Å
N3	H8	sing	0.97Å	1.00Å
C5	C6	doub	1.38Å	1.35Å	Aromatic
C5	C10	sing	1.38Å	1.46Å	Aromatic
C5	C11	sing	1.51Å	1.39Å
C6	C7	sing	1.38Å	1.40Å	Aromatic
C6	H9	sing	1.08Å	1.08Å
C7	C8	doub	1.39Å	1.35Å	Aromatic
C7	H10	sing	1.08Å	1.08Å
C8	C9	sing	1.39Å	1.42Å	Aromatic
C8	C12	sing	1.48Å	1.28Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C9	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
N4	C13	sing	1.46Å	1.46Å
N4	H15	sing	0.97Å	1.00Å
C15	C13	sing	1.53Å	1.55Å
C13	C14	sing	1.51Å	1.56Å
C13	H16	sing	1.09Å	1.10Å
O3	C14	doub	1.21Å	1.26Å
C20	C15	sing	1.53Å	1.45Å
C16	C15	sing	1.53Å	1.56Å
C15	H17	sing	1.09Å	1.10Å
C17	C16	sing	1.53Å	1.52Å
C16	H18	sing	1.09Å	1.10Å
C16	H19	sing	1.09Å	1.10Å
C18	C17	sing	1.53Å	1.52Å
C17	H20	sing	1.09Å	1.10Å
C17	H21	sing	1.09Å	1.10Å
C18	C19	sing	1.53Å	1.54Å
C18	H22	sing	1.09Å	1.10Å
C18	H23	sing	1.09Å	1.10Å
C19	C20	sing	1.53Å	1.43Å
C19	H24	sing	1.09Å	1.10Å
C19	H25	sing	1.09Å	1.10Å
C20	H26	sing	1.09Å	1.10Å
C20	H27	sing	1.09Å	1.10Å
N5	C21	sing	1.46Å	1.51Å
N5	H28	sing	0.97Å	1.00Å
C21	C22	sing	1.51Å	1.49Å
C21	C26	sing	1.53Å	1.48Å
C21	H29	sing	1.09Å	1.10Å
C22	O4	doub	1.21Å	1.51Å
N6	C23	sing	1.32Å	1.41Å	Aromatic
N6	C28	doub	1.32Å	1.40Å	Aromatic
N6	C29	sing	1.47Å	1.33Å
C23	C24	doub	1.38Å	1.36Å	Aromatic
C23	H30	sing	1.08Å	1.08Å
C24	C25	sing	1.39Å	1.37Å	Aromatic
C24	H31	sing	1.08Å	1.08Å
C25	C27	doub	1.39Å	1.36Å	Aromatic
C25	H32	sing	1.08Å	1.08Å
C26	C27	sing	1.51Å	1.47Å
C26	H33	sing	1.09Å	1.10Å
C26	H34	sing	1.09Å	1.10Å
C27	C28	sing	1.38Å	1.40Å	Aromatic
C28	H35	sing	1.08Å	1.08Å
C29	H36	sing	1.09Å	1.10Å
C29	H37	sing	1.09Å	1.10Å
C29	H38	sing	1.09Å	1.10Å
N7	C30	sing	1.46Å	0.00Å
N7	H39	sing	0.97Å	0.00Å
C30	C31	sing	1.51Å	0.00Å
C30	C32	sing	1.53Å	0.00Å
C30	H40	sing	1.09Å	0.00Å
C31	O5	doub	1.21Å	0.00Å
C32	C33	sing	1.53Å	0.00Å
C32	H41	sing	1.09Å	0.00Å
C32	H42	sing	1.09Å	0.00Å
C33	C34	sing	1.53Å	0.00Å
C33	C35	sing	1.53Å	0.00Å
C33	H43	sing	1.09Å	0.00Å
C34	H44	sing	1.09Å	0.00Å
C34	H45	sing	1.09Å	0.00Å
C34	H46	sing	1.09Å	0.00Å
C35	H47	sing	1.09Å	0.00Å
C35	H48	sing	1.09Å	0.00Å
C35	H49	sing	1.09Å	0.00Å
N8	C36	sing	1.47Å	0.00Å
N8	C40	sing	1.48Å	0.00Å
C36	C37	sing	1.51Å	0.00Å
C36	C38	sing	1.54Å	0.00Å
C36	H50	sing	1.09Å	0.00Å
C37	O6	doub	1.21Å	0.00Å
C38	C39	sing	1.55Å	0.00Å
C38	H51	sing	1.09Å	0.00Å
C38	H52	sing	1.09Å	0.00Å
C39	C40	sing	1.55Å	0.00Å
C39	H53	sing	1.09Å	0.00Å
C39	H54	sing	1.09Å	0.00Å
C40	H55	sing	1.09Å	0.00Å
C40	H56	sing	1.09Å	0.00Å
N9	H57	sing	0.97Å	0.00Å
N9	H58	sing	0.97Å	0.00Å
C1	N1	sing	1.35Å	1.29Å
C4	N4	sing	1.35Å	1.30Å
C14	N5	sing	1.35Å	1.50Å
C22	N7	sing	1.35Å	35.53Å
C37	N9	sing	1.35Å	0.00Å
C31	N8	sing	1.35Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	119.8°	120.0°
O1	C1	N1	118.5°	120.0°
C1	C2	H1	109.5°	109.5°
C1	C2	H2	109.5°	109.5°
C1	C2	H3	109.5°	109.4°
C2	C1	N1	121.7°	120.0°
H1	C2	H2	109.5°	109.5°
H1	C2	H3	109.5°	109.5°
H2	C2	H3	109.5°	109.5°
C3	N1	H4	115.3°	120.0°
N1	C3	C4	108.8°	109.5°
N1	C3	C11	112.1°	109.4°
N1	C3	H5	110.5°	109.4°
C3	N1	C1	129.4°	120.0°
H4	N1	C1	115.3°	120.0°
C4	C3	C11	109.9°	109.5°
C4	C3	H5	108.8°	109.5°
C3	C4	O2	123.2°	120.0°
C3	C4	N4	117.3°	120.0°
C11	C3	H5	106.8°	109.5°
C3	C11	C5	111.1°	109.5°
C3	C11	H13	109.1°	109.5°
C3	C11	H14	109.1°	109.4°
O2	C4	N4	118.9°	120.0°
C12	N2	H6	120.0°	120.0°
C12	N2	H7	120.0°	119.9°
N2	C12	N3	117.4°	120.0°
N2	C12	C8	119.1°	120.0°
H6	N2	H7	120.0°	120.0°
C12	N3	H8	112.0°	120.0°
N3	C12	C8	123.5°	120.0°
C6	C5	C10	118.1°	120.3°
C6	C5	C11	123.7°	119.9°
C5	C6	C7	122.7°	120.2°
C5	C6	H9	118.6°	119.9°
C10	C5	C11	118.2°	119.9°
C5	C10	C9	117.8°	120.1°
C5	C10	H12	121.1°	120.0°
C5	C11	H13	109.1°	109.5°
C5	C11	H14	109.1°	109.5°
C7	C6	H9	118.6°	119.9°
C6	C7	C8	120.5°	119.8°
C6	C7	H10	119.7°	120.1°
C8	C7	H10	119.8°	120.1°
C7	C8	C9	118.8°	119.7°
C7	C8	C12	121.1°	120.1°
C9	C8	C12	120.1°	120.1°
C8	C9	C10	121.9°	119.8°
C8	C9	H11	119.1°	120.1°
C10	C9	H11	119.0°	120.1°
C9	C10	H12	121.1°	119.9°
H13	C11	H14	109.5°	109.5°
C13	N4	H15	117.3°	120.0°
N4	C13	C15	113.1°	109.5°
N4	C13	C14	108.7°	109.5°
N4	C13	H16	108.0°	109.4°
C13	N4	C4	125.4°	120.0°
H15	N4	C4	117.3°	120.0°
C15	C13	C14	113.0°	109.5°
C15	C13	H16	107.0°	109.5°
C13	C15	C20	103.6°	109.5°
C13	C15	C16	105.1°	109.4°
C13	C15	H17	113.0°	109.5°
C14	C13	H16	106.9°	109.5°
C13	C14	O3	122.1°	120.0°
C13	C14	N5	115.9°	120.0°
O3	C14	N5	121.3°	120.0°
C20	C15	C16	106.6°	109.5°
C20	C15	H17	114.7°	109.5°
C15	C20	C19	115.2°	109.5°
C15	C20	H26	108.0°	109.5°
C15	C20	H27	108.0°	109.5°
C16	C15	H17	112.9°	109.5°
C15	C16	C17	109.3°	109.5°
C15	C16	H18	109.5°	109.5°
C15	C16	H19	109.5°	109.4°
C17	C16	H18	109.5°	109.5°
C17	C16	H19	109.5°	109.4°
C16	C17	C18	108.5°	109.5°
C16	C17	H20	109.7°	109.5°
C16	C17	H21	109.7°	109.5°
H18	C16	H19	109.5°	109.5°
C18	C17	H20	109.7°	109.5°
C18	C17	H21	109.7°	109.4°
C17	C18	C19	103.4°	109.5°
C17	C18	H22	111.0°	109.4°
C17	C18	H23	111.0°	109.5°
H20	C17	H21	109.4°	109.5°
C19	C18	H22	111.0°	109.5°
C19	C18	H23	111.0°	109.5°
C18	C19	C20	106.0°	109.4°
C18	C19	H24	110.3°	109.5°
C18	C19	H25	110.3°	109.5°
H22	C18	H23	109.4°	109.5°
C20	C19	H24	110.3°	109.5°
C20	C19	H25	110.3°	109.5°
C19	C20	H26	108.0°	109.5°
C19	C20	H27	108.0°	109.5°
H24	C19	H25	109.5°	109.5°
H26	C20	H27	109.5°	109.5°
C21	N5	H28	118.9°	120.0°
N5	C21	C22	110.5°	109.5°
N5	C21	C26	101.5°	109.5°
N5	C21	H29	105.6°	109.5°
C21	N5	C14	122.2°	120.0°
H28	N5	C14	118.9°	120.0°
C22	C21	C26	125.8°	109.5°
C22	C21	H29	105.8°	109.5°
C21	C22	O4	124.9°	120.0°
C21	C22	N7	64.4°	120.0°
C26	C21	H29	106.0°	109.4°
C21	C26	C27	110.9°	109.5°
C21	C26	H33	109.1°	109.5°
C21	C26	H34	109.1°	109.5°
O4	C22	N7	74.1°	120.0°
C23	N6	C28	121.6°	121.8°
C23	N6	C29	120.3°	119.1°
N6	C23	C24	117.5°	120.8°
N6	C23	H30	121.2°	119.7°
C28	N6	C29	118.1°	119.1°
N6	C28	C27	117.9°	120.7°
N6	C28	H35	121.1°	119.6°
N6	C29	H36	109.5°	109.5°
N6	C29	H37	109.5°	109.5°
N6	C29	H38	109.5°	109.5°
C24	C23	H30	121.3°	119.6°
C23	C24	C25	122.4°	119.1°
C23	C24	H31	118.8°	120.5°
C25	C24	H31	118.8°	120.4°
C24	C25	C27	120.4°	118.5°
C24	C25	H32	119.8°	120.8°
C27	C25	H32	119.8°	120.8°
C25	C27	C26	120.9°	120.4°
C25	C27	C28	120.1°	119.1°
C27	C26	H33	109.1°	109.5°
C27	C26	H34	109.1°	109.4°
C26	C27	C28	118.8°	120.4°
H33	C26	H34	109.5°	109.4°
C27	C28	H35	121.1°	119.7°
H36	C29	H37	109.5°	109.5°
H36	C29	H38	109.5°	109.4°
H37	C29	H38	109.4°	109.4°
C30	N7	H39	90.0°	120.1°
N7	C30	C31	90.0°	109.4°
N7	C30	C32	90.0°	109.5°
N7	C30	H40	90.0°	109.5°
C30	N7	C22	90.0°	119.9°
H39	N7	C22	90.0°	120.0°
C31	C30	C32	90.0°	109.4°
C31	C30	H40	90.0°	109.5°
C30	C31	O5	90.0°	120.0°
C30	C31	N8	90.0°	120.0°
C32	C30	H40	90.0°	109.5°
C30	C32	C33	90.0°	109.5°
C30	C32	H41	90.0°	109.4°
C30	C32	H42	90.0°	109.5°
O5	C31	N8	90.0°	120.0°
C33	C32	H41	90.0°	109.5°
C33	C32	H42	90.0°	109.5°
C32	C33	C34	90.0°	109.5°
C32	C33	C35	90.0°	109.4°
C32	C33	H43	90.0°	109.5°
H41	C32	H42	90.0°	109.4°
C34	C33	C35	90.0°	109.5°
C34	C33	H43	90.0°	109.5°
C33	C34	H44	90.0°	109.5°
C33	C34	H45	90.0°	109.4°
C33	C34	H46	90.0°	109.4°
C35	C33	H43	90.0°	109.4°
C33	C35	H47	90.0°	109.4°
C33	C35	H48	90.0°	109.5°
C33	C35	H49	90.0°	109.5°
H44	C34	H45	90.0°	109.5°
H44	C34	H46	90.0°	109.5°
H45	C34	H46	90.0°	109.5°
H47	C35	H48	90.0°	109.5°
H47	C35	H49	90.0°	109.4°
H48	C35	H49	90.0°	109.5°
C36	N8	C40	90.0°	108.7°
N8	C36	C37	90.0°	109.9°
N8	C36	C38	90.0°	107.3°
N8	C36	H50	90.0°	109.9°
C36	N8	C31	90.0°	125.7°
N8	C40	C39	90.0°	104.7°
N8	C40	H55	90.0°	110.3°
N8	C40	H56	90.0°	110.4°
C40	N8	C31	90.0°	125.6°
C37	C36	C38	90.0°	109.9°
C37	C36	H50	90.0°	109.9°
C36	C37	O6	90.0°	120.0°
C36	C37	N9	90.0°	120.0°
C38	C36	H50	90.0°	110.0°
C36	C38	C39	90.0°	103.0°
C36	C38	H51	90.0°	110.7°
C36	C38	H52	90.0°	110.7°
O6	C37	N9	90.0°	120.0°
C39	C38	H51	90.0°	110.8°
C39	C38	H52	90.0°	110.7°
C38	C39	C40	90.0°	101.5°
C38	C39	H53	90.0°	111.0°
C38	C39	H54	90.0°	111.0°
H51	C38	H52	90.0°	110.8°
C40	C39	H53	90.0°	111.2°
C40	C39	H54	90.0°	110.9°
C39	C40	H55	90.0°	110.5°
C39	C40	H56	90.0°	110.4°
H53	C39	H54	90.0°	110.9°
H55	C40	H56	90.0°	110.5°
H57	N9	H58	90.0°	120.0°
H57	N9	C37	90.0°	120.0°
H58	N9	C37	90.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	N1	179.4°	179.6°
O1	C1	C2	H1	0.0°	0.1°
O1	C1	C2	H2	120.0°	120.0°
O1	C1	C2	H3	120.0°	120.1°
O1	C1	N1	C3	33.0°	0.1°
O1	C1	N1	H4	147.0°	180.0°
C1	C2	H1	H2	120.0°	120.1°
C1	C2	H1	H3	120.0°	120.0°
C1	C2	H2	H3	120.0°	120.0°
C2	C1	N1	C3	146.5°	179.7°
C2	C1	N1	H4	33.5°	0.4°
H1	C2	H2	H3	120.0°	120.0°
H1	C2	C1	N1	179.4°	179.7°
H2	C2	C1	N1	60.6°	59.7°
H3	C2	C1	N1	59.4°	60.3°
C3	N1	H4	C1	180.0°	179.9°
N1	C3	C4	C11	123.0°	120.0°
N1	C3	C4	H5	120.4°	120.0°
N1	C3	C11	H5	121.1°	120.0°
N1	C3	C4	O2	139.2°	20.0°
N1	C3	C11	C5	173.8°	65.0°
N1	C3	C11	H13	66.0°	55.0°
N1	C3	C11	H14	53.5°	175.0°
N1	C3	C4	N4	49.4°	160.1°
H4	N1	C3	C4	97.2°	120.0°
H4	N1	C3	C11	24.6°	120.1°
H4	N1	C3	H5	143.5°	0.0°
C4	C3	C11	H5	117.8°	120.1°
C3	C4	O2	N4	171.2°	180.0°
C4	C3	C11	C5	52.7°	175.0°
C4	C3	C11	H13	172.9°	65.0°
C4	C3	C11	H14	67.6°	55.0°
C3	C4	N4	C13	170.4°	180.0°
C3	C4	N4	H15	9.6°	0.1°
C4	C3	N1	C1	82.9°	59.9°
C11	C3	C4	O2	97.7°	100.0°
C3	C11	C5	C6	84.0°	90.0°
C3	C11	C5	C10	96.6°	90.3°
C3	C11	C5	H13	120.2°	120.0°
C3	C11	C5	H14	120.3°	120.0°
C3	C11	H13	H14	119.3°	120.0°
C11	C3	N1	C1	155.4°	60.0°
C11	C3	C4	N4	73.7°	80.0°
H5	C3	C4	O2	18.9°	140.0°
H5	C3	C11	C5	65.2°	55.0°
H5	C3	C11	H13	55.1°	174.9°
H5	C3	C11	H14	174.6°	65.0°
H5	C3	N1	C1	36.5°	180.0°
H5	C3	C4	N4	169.8°	40.1°
O2	C4	N4	C13	1.4°	0.1°
O2	C4	N4	H15	178.7°	179.9°
C12	N2	H6	H7	180.0°	180.0°
N2	C12	N3	C8	178.9°	180.0°
N2	C12	N3	H8	178.9°	180.0°
N2	C12	C8	C7	179.6°	180.0°
N2	C12	C8	C9	1.1°	0.1°
H6	N2	C12	N3	178.9°	0.0°
H6	N2	C12	C8	0.0°	179.9°
H7	N2	C12	N3	1.1°	180.0°
H7	N2	C12	C8	180.0°	0.0°
N3	C12	C8	C7	0.7°	0.0°
N3	C12	C8	C9	177.8°	180.0°
H8	N3	C12	C8	0.0°	0.0°
C6	C5	C10	C11	179.4°	179.7°
C5	C6	C7	H9	180.0°	180.0°
C5	C6	C7	C8	2.1°	0.0°
C5	C6	C7	H10	177.9°	180.0°
C6	C5	C10	C9	0.7°	0.0°
C6	C5	C10	H12	179.3°	180.0°
C6	C5	C11	H13	36.2°	30.0°
C6	C5	C11	H14	155.7°	150.0°
C10	C5	C6	C7	2.0°	0.0°
C10	C5	C6	H9	178.0°	180.0°
C5	C10	C9	C8	3.4°	0.0°
C5	C10	C9	H12	180.0°	180.0°
C5	C10	C9	H11	176.6°	180.0°
C10	C5	C11	H13	143.2°	149.7°
C10	C5	C11	H14	23.7°	29.7°
C11	C5	C6	C7	178.6°	179.7°
C11	C5	C6	H9	1.4°	0.3°
C11	C5	C10	C9	178.7°	179.7°
C11	C5	C10	H12	1.3°	0.3°
C5	C11	H13	H14	119.3°	120.0°
C6	C7	C8	H10	180.0°	180.0°
C6	C7	C8	C9	0.7°	0.0°
C6	C7	C8	C12	179.2°	179.9°
H9	C6	C7	C8	177.9°	180.0°
H9	C6	C7	H10	2.1°	0.0°
C7	C8	C9	C12	178.5°	180.0°
C7	C8	C9	C10	3.5°	0.0°
C7	C8	C9	H11	176.6°	180.0°
H10	C7	C8	C9	179.3°	180.0°
H10	C7	C8	C12	0.8°	0.0°
C8	C9	C10	H11	180.0°	180.0°
C8	C9	C10	H12	176.5°	180.0°
C12	C8	C9	C10	178.0°	179.9°
C12	C8	C9	H11	2.0°	0.1°
H11	C9	C10	H12	3.4°	0.0°
C13	N4	H15	C4	180.0°	179.9°
N4	C13	C15	C14	123.9°	120.0°
N4	C13	C15	H16	118.7°	120.0°
N4	C13	C14	H16	116.3°	120.0°
N4	C13	C14	O3	57.3°	0.1°
N4	C13	C15	C20	61.5°	60.0°
N4	C13	C15	C16	173.2°	60.0°
N4	C13	C15	H17	63.2°	180.0°
N4	C13	C14	N5	113.5°	180.0°
H15	N4	C13	C15	27.2°	94.9°
H15	N4	C13	C14	99.1°	25.1°
H15	N4	C13	H16	145.3°	145.1°
C15	C13	C14	H16	117.4°	120.0°
C15	C13	C14	O3	69.0°	120.0°
C13	C15	C20	C16	110.5°	120.0°
C13	C15	C20	H17	123.7°	120.0°
C13	C15	C16	H17	123.6°	120.0°
C13	C15	C16	C17	163.1°	180.0°
C13	C15	C16	H18	77.0°	60.0°
C13	C15	C16	H19	43.1°	60.0°
C13	C15	C20	C19	169.7°	NaN°
C13	C15	C20	H26	48.9°	60.0°
C13	C15	C20	H27	69.5°	60.0°
C15	C13	N4	C4	152.8°	85.0°
C15	C13	C14	N5	120.2°	60.0°
C13	C14	O3	N5	170.3°	180.0°
C14	C13	C15	C20	174.6°	60.0°
C14	C13	C15	C16	62.9°	180.0°
C14	C13	C15	H17	60.7°	60.0°
C13	C14	N5	C21	176.0°	180.0°
C13	C14	N5	H28	4.0°	0.0°
C14	C13	N4	C4	80.9°	155.0°
H16	C13	C14	O3	173.6°	120.0°
H16	C13	C15	C20	57.2°	180.0°
H16	C13	C15	C16	54.4°	60.0°
H16	C13	C15	H17	178.0°	60.0°
H16	C13	N4	C4	34.7°	35.0°
H16	C13	C14	N5	2.8°	60.0°
O3	C14	N5	C21	13.1°	0.0°
O3	C14	N5	H28	167.0°	180.0°
C20	C15	C16	H17	126.9°	120.1°
C20	C15	C16	C17	53.6°	60.0°
C20	C15	C16	H18	173.5°	180.0°
C20	C15	C16	H19	66.4°	59.9°
C15	C20	C19	C18	67.7°	60.1°
C15	C20	C19	H26	120.9°	120.0°
C15	C20	C19	H27	120.8°	120.0°
C15	C20	C19	H24	51.7°	60.0°
C15	C20	C19	H25	172.8°	180.0°
C15	C20	H26	H27	117.4°	120.0°
C15	C16	C17	H18	120.0°	120.0°
C15	C16	C17	H19	120.0°	119.9°
C15	C16	H18	H19	120.1°	120.0°
C15	C16	C17	C18	61.8°	60.0°
C15	C16	C17	H20	58.1°	60.0°
C15	C16	C17	H21	178.4°	180.0°
C16	C15	C20	C19	59.2°	60.0°
C16	C15	C20	H26	61.7°	60.0°
C16	C15	C20	H27	180.0°	180.0°
H17	C15	C16	C17	73.3°	60.0°
H17	C15	C16	H18	46.7°	60.0°
H17	C15	C16	H19	166.7°	180.0°
H17	C15	C20	C19	66.6°	60.0°
H17	C15	C20	H26	172.5°	179.9°
H17	C15	C20	H27	54.2°	60.0°
C17	C16	H18	H19	120.0°	120.0°
C16	C17	C18	H20	119.9°	120.0°
C16	C17	C18	H21	119.9°	120.0°
C16	C17	H20	H21	120.4°	120.0°
C16	C17	C18	C19	67.0°	60.0°
C16	C17	C18	H22	174.0°	180.0°
C16	C17	C18	H23	52.1°	60.1°
H18	C16	C17	C18	178.2°	180.0°
H18	C16	C17	H20	61.9°	60.0°
H18	C16	C17	H21	58.4°	60.0°
H19	C16	C17	C18	58.2°	60.0°
H19	C16	C17	H20	178.1°	180.0°
H19	C16	C17	H21	61.6°	60.0°
C18	C17	H20	H21	120.4°	120.0°
C17	C18	C19	H22	119.0°	119.9°
C17	C18	C19	H23	119.0°	120.0°
C17	C18	H22	H23	122.8°	119.9°
C17	C18	C19	C20	67.2°	60.0°
C17	C18	C19	H24	52.3°	60.0°
C17	C18	C19	H25	173.4°	180.0°
H20	C17	C18	C19	52.9°	60.0°
H20	C17	C18	H22	66.2°	60.0°
H20	C17	C18	H23	171.9°	179.9°
H21	C17	C18	C19	173.2°	180.0°
H21	C17	C18	H22	54.1°	60.0°
H21	C17	C18	H23	67.8°	60.0°
C19	C18	H22	H23	122.8°	120.1°
C18	C19	C20	H24	119.5°	120.0°
C18	C19	C20	H25	119.5°	120.0°
C18	C19	H24	H25	121.6°	120.0°
C18	C19	C20	H26	53.1°	60.0°
C18	C19	C20	H27	171.4°	180.0°
H22	C18	C19	C20	173.8°	180.0°
H22	C18	C19	H24	66.8°	59.9°
H22	C18	C19	H25	54.3°	60.1°
H23	C18	C19	C20	51.9°	60.0°
H23	C18	C19	H24	171.3°	180.0°
H23	C18	C19	H25	67.6°	60.0°
C20	C19	H24	H25	121.6°	120.0°
C19	C20	H26	H27	117.4°	120.0°
H24	C19	C20	H26	172.6°	180.0°
H24	C19	C20	H27	69.1°	60.0°
H25	C19	C20	H26	66.4°	60.0°
H25	C19	C20	H27	51.9°	60.0°
C21	N5	H28	C14	180.0°	180.0°
N5	C21	C22	C26	122.2°	120.0°
N5	C21	C22	H29	113.9°	120.1°
N5	C21	C26	H29	110.1°	120.0°
N5	C21	C22	O4	29.9°	0.0°
N5	C21	C26	C27	91.4°	65.0°
N5	C21	C26	H33	28.8°	55.0°
N5	C21	C26	H34	148.3°	175.0°
N5	C21	C22	N7	15.4°	180.0°
H28	N5	C21	C22	89.2°	25.0°
H28	N5	C21	C26	46.3°	95.0°
H28	N5	C21	H29	156.8°	145.0°
C22	C21	C26	H29	123.8°	120.0°
C21	C22	O4	N7	41.8°	180.0°
C22	C21	C26	C27	142.5°	175.0°
C22	C21	C26	H33	97.2°	65.0°
C22	C21	C26	H34	22.3°	55.0°
C21	C22	N7	C30	90.0°	175.1°
C21	C22	N7	H39	90.0°	4.9°
C22	C21	N5	C14	90.8°	155.0°
C26	C21	C22	O4	92.4°	120.0°
C21	C26	C27	C25	73.0°	90.0°
C21	C26	C27	H33	120.2°	120.0°
C21	C26	C27	H34	120.2°	120.0°
C21	C26	H33	H34	119.3°	120.0°
C21	C26	C27	C28	101.8°	89.9°
C26	C21	N5	C14	133.7°	85.0°
C26	C21	C22	N7	137.6°	60.0°
H29	C21	C22	O4	143.7°	120.1°
H29	C21	C26	C27	18.7°	55.0°
H29	C21	C26	H33	138.9°	175.0°
H29	C21	C26	H34	101.5°	65.0°
H29	C21	N5	C14	23.2°	35.0°
H29	C21	C22	N7	98.5°	59.9°
O4	C22	N7	C30	90.0°	5.0°
O4	C22	N7	H39	90.0°	175.1°
C23	N6	C28	C29	178.6°	179.7°
N6	C23	C24	H30	180.0°	180.0°
N6	C23	C24	C25	1.2°	0.0°
N6	C23	C24	H31	178.8°	180.0°
C23	N6	C28	C27	2.5°	0.0°
C23	N6	C28	H35	177.5°	180.0°
C23	N6	C29	H36	180.0°	90.0°
C23	N6	C29	H37	60.0°	150.0°
C23	N6	C29	H38	60.0°	30.0°
C28	N6	C23	C24	0.1°	0.0°
C28	N6	C23	H30	179.9°	180.0°
N6	C28	C27	C25	4.2°	0.0°
N6	C28	C27	C26	179.0°	180.0°
N6	C28	C27	H35	180.0°	180.0°
C28	N6	C29	H36	1.3°	90.3°
C28	N6	C29	H37	118.7°	29.7°
C28	N6	C29	H38	121.4°	149.7°
C29	N6	C23	C24	178.5°	179.7°
C29	N6	C23	H30	1.5°	0.3°
C29	N6	C28	C27	178.8°	179.7°
C29	N6	C28	H35	1.2°	0.3°
N6	C29	H36	H37	120.0°	120.1°
N6	C29	H36	H38	120.0°	120.0°
N6	C29	H37	H38	120.0°	120.0°
C23	C24	C25	H31	180.0°	180.0°
C23	C24	C25	C27	0.5°	0.0°
C23	C24	C25	H32	179.5°	180.0°
H30	C23	C24	C25	178.8°	180.0°
H30	C23	C24	H31	1.2°	0.0°
C24	C25	C27	H32	180.0°	179.9°
C24	C25	C27	C26	178.0°	180.0°
C24	C25	C27	C28	3.3°	0.0°
H31	C24	C25	C27	179.5°	180.0°
H31	C24	C25	H32	0.5°	0.0°
C25	C27	C26	C28	174.8°	179.9°
C25	C27	C26	H33	47.2°	30.0°
C25	C27	C26	H34	166.8°	150.0°
C25	C27	C28	H35	175.8°	180.0°
H32	C25	C27	C26	2.0°	0.1°
H32	C25	C27	C28	176.7°	180.0°
C27	C26	H33	H34	119.4°	120.0°
C26	C27	C28	H35	1.0°	0.0°
H33	C26	C27	C28	138.0°	150.0°
H34	C26	C27	C28	18.4°	30.1°
H36	C29	H37	H38	120.0°	119.9°
C30	N7	H39	C22	90.0°	179.9°
N7	C30	C31	C32	90.0°	120.0°
N7	C30	C31	H40	90.0°	120.0°
N7	C30	C32	H40	90.0°	120.1°
N7	C30	C31	O5	90.0°	15.0°
N7	C30	C32	C33	90.0°	47.4°
N7	C30	C32	H41	90.0°	72.6°
N7	C30	C32	H42	90.0°	167.5°
N7	C30	C31	N8	90.0°	165.1°
H39	N7	C30	C31	90.0°	26.6°
H39	N7	C30	C32	90.0°	93.3°
H39	N7	C30	H40	90.0°	146.6°
C31	C30	C32	H40	90.0°	120.0°
C30	C31	O5	N8	90.0°	180.0°
C31	C30	C32	C33	90.0°	72.5°
C31	C30	C32	H41	90.0°	167.5°
C31	C30	C32	H42	90.0°	47.5°
C30	C31	N8	C36	90.0°	177.5°
C30	C31	N8	C40	90.0°	2.2°
C31	C30	N7	C22	90.0°	153.4°
C32	C30	C31	O5	90.0°	105.0°
C30	C32	C33	H41	90.0°	120.0°
C30	C32	C33	H42	90.0°	120.1°
C30	C32	H41	H42	90.0°	120.0°
C30	C32	C33	C34	90.0°	167.8°
C30	C32	C33	C35	90.0°	72.2°
C30	C32	C33	H43	90.0°	47.7°
C32	C30	N7	C22	90.0°	86.6°
C32	C30	C31	N8	90.0°	74.9°
H40	C30	C31	O5	90.0°	134.9°
H40	C30	C32	C33	90.0°	167.5°
H40	C30	C32	H41	90.0°	47.5°
H40	C30	C32	H42	90.0°	72.5°
H40	C30	N7	C22	90.0°	33.5°
H40	C30	C31	N8	90.0°	45.1°
O5	C31	N8	C36	90.0°	2.5°
O5	C31	N8	C40	90.0°	177.8°
C33	C32	H41	H42	90.0°	120.0°
C32	C33	C34	C35	90.0°	120.0°
C32	C33	C34	H43	90.0°	120.1°
C32	C33	C35	H43	90.0°	120.0°
C32	C33	C34	H44	90.0°	59.9°
C32	C33	C34	H45	90.0°	180.0°
C32	C33	C34	H46	90.0°	60.0°
C32	C33	C35	H47	90.0°	47.3°
C32	C33	C35	H48	90.0°	72.6°
C32	C33	C35	H49	90.0°	167.3°
H41	C32	C33	C34	90.0°	47.8°
H41	C32	C33	C35	90.0°	167.8°
H41	C32	C33	H43	90.0°	72.2°
H42	C32	C33	C34	90.0°	72.2°
H42	C32	C33	C35	90.0°	47.8°
H42	C32	C33	H43	90.0°	167.8°
C34	C33	C35	H43	90.0°	120.0°
C33	C34	H44	H45	90.0°	120.0°
C33	C34	H44	H46	90.0°	119.9°
C33	C34	H45	H46	90.0°	119.9°
C34	C33	C35	H47	90.0°	72.7°
C34	C33	C35	H48	90.0°	167.4°
C34	C33	C35	H49	90.0°	47.3°
C35	C33	C34	H44	90.0°	60.0°
C35	C33	C34	H45	90.0°	60.0°
C35	C33	C34	H46	90.0°	180.0°
C33	C35	H47	H48	90.0°	120.0°
C33	C35	H47	H49	90.0°	120.0°
C33	C35	H48	H49	90.0°	120.0°
H43	C33	C34	H44	90.0°	NaN°
H43	C33	C34	H45	90.0°	60.0°
H43	C33	C34	H46	90.0°	60.0°
H43	C33	C35	H47	90.0°	167.3°
H43	C33	C35	H48	90.0°	47.3°
H43	C33	C35	H49	90.0°	72.7°
H44	C34	H45	H46	90.0°	120.0°
H47	C35	H48	H49	90.0°	120.0°
C36	N8	C40	C31	90.0°	179.7°
N8	C36	C37	C38	90.0°	117.8°
N8	C36	C37	H50	90.0°	121.0°
N8	C36	C38	H50	90.0°	119.4°
N8	C36	C37	O6	90.0°	34.6°
N8	C36	C38	C39	90.0°	22.1°
N8	C36	C38	H51	90.0°	140.6°
N8	C36	C38	H52	90.0°	96.2°
C36	N8	C40	C39	90.0°	24.5°
C36	N8	C40	H55	90.0°	94.4°
C36	N8	C40	H56	90.0°	143.2°
N8	C36	C37	N9	90.0°	145.4°
C40	N8	C36	C37	90.0°	118.1°
C40	N8	C36	C38	90.0°	1.3°
C40	N8	C36	H50	90.0°	120.9°
N8	C40	C39	C38	90.0°	37.3°
N8	C40	C39	H55	90.0°	118.8°
N8	C40	C39	H56	90.0°	118.7°
N8	C40	C39	H53	90.0°	80.8°
N8	C40	C39	H54	90.0°	155.3°
N8	C40	H55	H56	90.0°	122.3°
C37	C36	C38	H50	90.0°	121.1°
C36	C37	O6	N9	90.0°	180.0°
C37	C36	C38	C39	90.0°	141.6°
C37	C36	C38	H51	90.0°	100.0°
C37	C36	C38	H52	90.0°	23.2°
C36	C37	N9	H57	90.0°	0.0°
C36	C37	N9	H58	90.0°	180.0°
C37	C36	N8	C31	90.0°	61.6°
C38	C36	C37	O6	90.0°	83.2°
C36	C38	C39	H51	90.0°	118.4°
C36	C38	C39	H52	90.0°	118.3°
C36	C38	H51	H52	90.0°	123.2°
C36	C38	C39	C40	90.0°	35.6°
C36	C38	C39	H53	90.0°	82.6°
C36	C38	C39	H54	90.0°	153.6°
C38	C36	C37	N9	90.0°	96.8°
C38	C36	N8	C31	90.0°	179.0°
H50	C36	C37	O6	90.0°	155.6°
H50	C36	C38	C39	90.0°	97.3°
H50	C36	C38	H51	90.0°	21.1°
H50	C36	C38	H52	90.0°	144.3°
H50	C36	C37	N9	90.0°	24.4°
H50	C36	N8	C31	90.0°	59.4°
O6	C37	N9	H57	90.0°	180.0°
O6	C37	N9	H58	90.0°	0.0°
C39	C38	H51	H52	90.0°	123.3°
C38	C39	C40	H53	90.0°	118.1°
C38	C39	C40	H54	90.0°	118.0°
C38	C39	H53	H54	90.0°	123.9°
C38	C39	C40	H55	90.0°	81.5°
C38	C39	C40	H56	90.0°	156.0°
H51	C38	C39	C40	90.0°	154.0°
H51	C38	C39	H53	90.0°	35.7°
H51	C38	C39	H54	90.0°	88.1°
H52	C38	C39	C40	90.0°	82.7°
H52	C38	C39	H53	90.0°	159.0°
H52	C38	C39	H54	90.0°	35.2°
C40	C39	H53	H54	90.0°	123.9°
C39	C40	H55	H56	90.0°	122.4°
C39	C40	N8	C31	90.0°	155.8°
H53	C39	C40	H55	90.0°	160.4°
H53	C39	C40	H56	90.0°	37.9°
H54	C39	C40	H55	90.0°	36.5°
H54	C39	C40	H56	90.0°	86.0°
H55	C40	N8	C31	90.0°	85.3°
H56	C40	N8	C31	90.0°	37.1°
H57	N9	H58	C37	90.0°	180.0°

Release date:	2012-12-12
Last modified:	2023-09-20
Processing site:	PDBE