PRD_001211

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.48Å	1.46Å
N1	H1	sing	0.97Å	1.00Å
C1	C2	sing	1.50Å	1.51Å
C1	C3	sing	1.53Å	1.55Å
C1	H2	sing	1.10Å	1.10Å
C2	O1	doub	1.22Å	1.19Å
C3	C4	sing	1.53Å	1.52Å
C3	C5	sing	1.53Å	1.49Å
C3	H3	sing	1.09Å	1.10Å
C4	C6	sing	1.53Å	1.49Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
N2	C7	sing	1.48Å	1.45Å
N2	H12	sing	0.97Å	1.00Å
C7	C8	sing	1.51Å	1.51Å
C7	C9	sing	1.53Å	1.53Å
C7	H13	sing	1.09Å	1.10Å
C8	O2	doub	1.21Å	1.18Å
C9	C10	sing	1.51Å	1.52Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C10	O3	doub	1.21Å	1.22Å
C10	O4	sing	1.34Å	1.22Å
O4	H16	sing	0.97Å	0.95Å
N3	C11	sing	1.48Å	1.43Å
N3	H17	sing	0.98Å	1.00Å
C11	C12	sing	1.50Å	1.49Å
C11	C13	sing	1.53Å	1.52Å
C11	H18	sing	1.11Å	1.10Å
C12	O5	doub	1.22Å	1.20Å
C13	C14	sing	1.51Å	1.50Å
C13	H19	sing	1.09Å	1.10Å
C13	H20	sing	1.09Å	1.10Å
C14	O6	doub	1.21Å	1.18Å
C14	N4	sing	1.35Å	1.33Å
N4	H21	sing	0.97Å	1.00Å
N4	H22	sing	0.97Å	1.00Å
N5	C15	sing	1.48Å	1.42Å
N5	H23	sing	0.97Å	1.00Å
C15	C16	sing	1.51Å	1.49Å
C15	H24	sing	1.09Å	1.10Å
C15	H25	sing	1.09Å	1.10Å
C16	O7	doub	1.21Å	1.21Å
N6	C17	sing	1.46Å	1.47Å
N6	C21	sing	1.47Å	1.44Å
C17	C18	sing	1.50Å	1.50Å
C17	C19	sing	1.54Å	1.51Å
C17	H26	sing	1.10Å	1.10Å
C18	O8	doub	1.22Å	1.20Å
C19	C20	sing	1.53Å	1.51Å
C19	H27	sing	1.09Å	1.10Å
C19	H28	sing	1.09Å	1.10Å
C20	C21	sing	1.53Å	1.51Å
C20	H29	sing	1.09Å	1.10Å
C20	H30	sing	1.09Å	1.10Å
C21	H31	sing	1.09Å	1.10Å
C21	H32	sing	1.09Å	1.10Å
N7	C22	sing	1.47Å	1.43Å
N7	H33	sing	0.98Å	1.00Å
C22	C23	sing	1.51Å	1.52Å
C22	C24	sing	1.53Å	1.50Å
C22	H34	sing	1.09Å	1.10Å
C23	O9	doub	1.21Å	1.20Å
C24	C25	sing	1.53Å	1.50Å
C24	H35	sing	1.09Å	1.10Å
C24	H36	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.51Å
C25	H37	sing	1.09Å	1.10Å
C25	H38	sing	1.09Å	1.10Å
C26	C27	sing	1.53Å	1.50Å
C26	H39	sing	1.09Å	1.10Å
C26	H40	sing	1.09Å	1.10Å
C27	N8	sing	1.47Å	1.47Å
C27	H41	sing	1.09Å	1.10Å
C27	H42	sing	1.09Å	1.10Å
N8	H43	sing	1.01Å	1.00Å
N8	H44	sing	1.01Å	1.00Å
N8	H45	sing	1.01Å	1.00Å
N1	C23	sing	1.37Å	1.33Å
C2	N2	sing	1.36Å	1.33Å
C8	N3	sing	1.36Å	1.30Å
C12	N5	sing	1.36Å	1.30Å
C16	N6	sing	1.35Å	1.31Å
C18	N7	sing	1.35Å	1.32Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	117.3°	121.6°
N1	C1	C2	118.1°	109.8°
N1	C1	C3	111.5°	109.4°
N1	C1	H2	105.3°	108.0°
C1	N1	C23	125.4°	116.3°
H1	N1	C23	117.3°	122.1°
C2	C1	C3	111.1°	111.8°
C2	C1	H2	104.9°	108.8°
C1	C2	O1	115.6°	119.1°
C1	C2	N2	122.0°	121.8°
C3	C1	H2	104.5°	108.9°
C1	C3	C4	112.8°	109.4°
C1	C3	C5	113.6°	109.5°
C1	C3	H3	107.8°	109.5°
O1	C2	N2	122.5°	119.0°
C4	C3	C5	105.8°	109.5°
C4	C3	H3	108.1°	109.4°
C3	C4	C6	111.0°	109.4°
C3	C4	H4	109.1°	109.5°
C3	C4	H5	109.1°	109.5°
C5	C3	H3	108.5°	109.5°
C3	C5	H6	109.5°	109.5°
C3	C5	H7	109.4°	109.5°
C3	C5	H8	109.4°	109.5°
C6	C4	H4	109.1°	109.4°
C6	C4	H5	109.1°	109.5°
C4	C6	H9	109.5°	109.5°
C4	C6	H10	109.5°	109.5°
C4	C6	H11	109.5°	109.5°
H4	C4	H5	109.5°	109.5°
H6	C5	H7	109.5°	109.4°
H6	C5	H8	109.5°	109.5°
H7	C5	H8	109.5°	109.5°
H9	C6	H10	109.5°	109.5°
H9	C6	H11	109.5°	109.5°
H10	C6	H11	109.5°	109.4°
C7	N2	H12	117.5°	119.0°
N2	C7	C8	114.2°	108.9°
N2	C7	C9	110.0°	109.0°
N2	C7	H13	109.4°	110.5°
C7	N2	C2	125.0°	116.7°
H12	N2	C2	117.5°	124.3°
C8	C7	C9	106.3°	109.1°
C8	C7	H13	108.5°	109.8°
C7	C8	O2	121.9°	120.0°
C7	C8	N3	116.8°	117.5°
C9	C7	H13	108.3°	109.6°
C7	C9	C10	113.5°	109.5°
C7	C9	H14	108.4°	109.4°
C7	C9	H15	108.5°	109.5°
O2	C8	N3	121.2°	122.6°
C10	C9	H14	108.5°	109.5°
C10	C9	H15	108.5°	109.5°
C9	C10	O3	119.0°	120.0°
C9	C10	O4	119.0°	120.0°
H14	C9	H15	109.5°	109.5°
O3	C10	O4	122.0°	120.0°
C10	O4	H16	109.5°	117.0°
C11	N3	H17	119.8°	120.8°
N3	C11	C12	112.5°	110.5°
N3	C11	C13	105.9°	111.1°
N3	C11	H18	111.3°	107.8°
C11	N3	C8	120.3°	118.3°
H17	N3	C8	119.9°	120.9°
C12	C11	C13	106.6°	111.7°
C12	C11	H18	110.3°	107.9°
C11	C12	O5	124.0°	118.9°
C11	C12	N5	114.7°	121.8°
C13	C11	H18	110.0°	107.6°
C11	C13	C14	110.7°	109.5°
C11	C13	H19	109.2°	109.5°
C11	C13	H20	109.2°	109.5°
O5	C12	N5	121.4°	119.2°
C14	C13	H19	109.1°	109.5°
C14	C13	H20	109.1°	109.4°
C13	C14	O6	119.5°	120.0°
C13	C14	N4	119.2°	120.0°
H19	C13	H20	109.5°	109.5°
O6	C14	N4	121.3°	120.0°
C14	N4	H21	120.0°	120.0°
C14	N4	H22	120.0°	120.0°
H21	N4	H22	119.9°	119.9°
C15	N5	H23	119.6°	119.7°
N5	C15	C16	114.7°	109.6°
N5	C15	H24	108.1°	110.2°
N5	C15	H25	108.1°	109.0°
C15	N5	C12	120.7°	117.2°
H23	N5	C12	119.7°	123.0°
C16	C15	H24	108.2°	109.8°
C16	C15	H25	108.1°	109.1°
C15	C16	O7	118.2°	120.0°
C15	C16	N6	117.1°	118.3°
H24	C15	H25	109.5°	109.2°
O7	C16	N6	124.7°	121.6°
C17	N6	C21	113.3°	109.5°
N6	C17	C18	118.4°	112.8°
N6	C17	C19	105.2°	108.5°
N6	C17	H26	108.4°	109.2°
C17	N6	C16	122.8°	127.8°
N6	C21	C20	103.6°	108.6°
N6	C21	H31	110.9°	109.5°
N6	C21	H32	110.9°	109.6°
C21	N6	C16	123.8°	122.7°
C18	C17	C19	108.6°	109.0°
C18	C17	H26	108.0°	108.9°
C17	C18	O8	116.8°	117.9°
C17	C18	N7	117.3°	121.8°
C19	C17	H26	107.9°	108.3°
C17	C19	C20	104.3°	106.2°
C17	C19	H27	110.7°	110.9°
C17	C19	H28	110.8°	109.9°
O8	C18	N7	125.8°	120.2°
C20	C19	H27	110.7°	109.9°
C20	C19	H28	110.7°	109.9°
C19	C20	C21	107.3°	106.2°
C19	C20	H29	110.0°	110.1°
C19	C20	H30	110.0°	110.3°
H27	C19	H28	109.5°	110.0°
C21	C20	H29	110.0°	109.9°
C21	C20	H30	110.0°	110.5°
C20	C21	H31	110.9°	109.7°
C20	C21	H32	110.9°	109.9°
H29	C20	H30	109.5°	109.8°
H31	C21	H32	109.5°	109.5°
C22	N7	H33	117.1°	120.1°
N7	C22	C23	110.3°	109.5°
N7	C22	C24	107.4°	110.4°
N7	C22	H34	110.0°	110.3°
C22	N7	C18	125.7°	119.1°
H33	N7	C18	117.2°	120.8°
C23	C22	C24	111.5°	107.4°
C23	C22	H34	108.8°	109.5°
C22	C23	O9	117.4°	119.3°
C22	C23	N1	120.8°	118.1°
C24	C22	H34	108.9°	109.7°
C22	C24	C25	110.7°	109.4°
C22	C24	H35	109.2°	109.4°
C22	C24	H36	109.2°	109.5°
O9	C23	N1	121.8°	122.6°
C25	C24	H35	109.2°	109.4°
C25	C24	H36	109.2°	109.5°
C24	C25	C26	112.1°	109.5°
C24	C25	H37	108.8°	109.4°
C24	C25	H38	108.8°	109.5°
H35	C24	H36	109.4°	109.5°
C26	C25	H37	108.8°	109.5°
C26	C25	H38	108.8°	109.5°
C25	C26	C27	111.1°	109.5°
C25	C26	H39	109.1°	109.4°
C25	C26	H40	109.1°	109.5°
H37	C25	H38	109.5°	109.4°
C27	C26	H39	109.1°	109.4°
C27	C26	H40	109.1°	109.5°
C26	C27	N8	105.2°	109.4°
C26	C27	H41	110.5°	109.4°
C26	C27	H42	110.5°	109.5°
H39	C26	H40	109.5°	109.4°
N8	C27	H41	110.5°	109.4°
N8	C27	H42	110.5°	109.5°
C27	N8	H43	109.5°	109.5°
C27	N8	H44	109.4°	109.5°
C27	N8	H45	109.5°	109.5°
H41	C27	H42	109.5°	109.5°
H43	N8	H44	109.5°	109.4°
H43	N8	H45	109.5°	109.5°
H44	N8	H45	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	C23	180.0°	179.7°
N1	C1	C2	C3	130.7°	121.7°
N1	C1	C2	H2	116.9°	118.0°
N1	C1	C3	H2	113.3°	117.8°
N1	C1	C2	O1	130.6°	45.9°
N1	C1	C3	C4	105.9°	64.9°
N1	C1	C3	C5	133.6°	55.1°
N1	C1	C3	H3	13.4°	175.2°
C1	N1	C23	C22	177.5°	173.9°
C1	N1	C23	O9	0.3°	6.2°
N1	C1	C2	N2	50.6°	134.5°
H1	N1	C1	C2	131.8°	132.7°
H1	N1	C1	C3	1.2°	104.2°
H1	N1	C1	H2	111.6°	14.2°
H1	N1	C23	C22	2.5°	5.8°
H1	N1	C23	O9	179.7°	174.1°
C2	C1	C3	H2	112.6°	120.3°
C1	C2	O1	N2	178.8°	179.6°
C2	C1	C3	C4	120.0°	57.0°
C2	C1	C3	C5	0.5°	177.0°
C2	C1	C3	H3	120.7°	62.9°
C1	C2	N2	C7	180.0°	179.0°
C1	C2	N2	H12	0.0°	0.5°
C2	C1	N1	C23	48.2°	47.6°
C3	C1	C2	O1	98.7°	167.6°
C1	C3	C4	C5	124.8°	120.0°
C1	C3	C4	H3	119.1°	119.9°
C1	C3	C5	H3	119.9°	120.1°
C1	C3	C4	C6	119.6°	173.3°
C1	C3	C4	H4	0.7°	66.7°
C1	C3	C4	H5	120.2°	53.3°
C1	C3	C5	H6	180.0°	60.0°
C1	C3	C5	H7	60.0°	179.9°
C1	C3	C5	H8	60.0°	60.0°
C3	C1	N1	C23	178.7°	75.5°
C3	C1	C2	N2	80.2°	12.8°
H2	C1	C2	O1	13.7°	72.1°
H2	C1	C3	C4	7.4°	177.3°
H2	C1	C3	C5	113.1°	62.7°
H2	C1	C3	H3	126.6°	57.4°
H2	C1	N1	C23	68.5°	166.1°
H2	C1	C2	N2	167.4°	107.5°
O1	C2	N2	C7	1.3°	0.6°
O1	C2	N2	H12	178.7°	179.9°
C4	C3	C5	H3	115.8°	120.0°
C3	C4	C6	H4	120.2°	119.9°
C3	C4	C6	H5	120.2°	120.0°
C3	C4	H4	H5	119.3°	120.0°
C4	C3	C5	H6	55.7°	59.9°
C4	C3	C5	H7	175.7°	60.0°
C4	C3	C5	H8	64.3°	180.0°
C3	C4	C6	H9	180.0°	60.0°
C3	C4	C6	H10	60.0°	60.0°
C3	C4	C6	H11	60.0°	180.0°
C5	C3	C4	C6	5.3°	66.7°
C5	C3	C4	H4	125.5°	53.3°
C5	C3	C4	H5	115.0°	173.3°
C3	C5	H6	H7	120.0°	119.9°
C3	C5	H6	H8	120.0°	120.1°
C3	C5	H7	H8	120.0°	120.1°
H3	C3	C4	C6	121.3°	53.4°
H3	C3	C4	H4	118.4°	173.3°
H3	C3	C4	H5	1.1°	66.6°
H3	C3	C5	H6	60.1°	179.9°
H3	C3	C5	H7	59.9°	60.0°
H3	C3	C5	H8	179.9°	60.0°
C6	C4	H4	H5	119.3°	120.0°
C4	C6	H9	H10	120.0°	120.0°
C4	C6	H9	H11	120.0°	120.0°
C4	C6	H10	H11	120.0°	120.0°
H4	C4	C6	H9	59.8°	180.0°
H4	C4	C6	H10	179.8°	59.9°
H4	C4	C6	H11	60.2°	60.0°
H5	C4	C6	H9	59.8°	60.0°
H5	C4	C6	H10	60.2°	180.0°
H5	C4	C6	H11	179.8°	60.0°
H6	C5	H7	H8	120.0°	120.0°
H9	C6	H10	H11	120.0°	120.0°
C7	N2	H12	C2	180.0°	179.5°
N2	C7	C8	C9	121.5°	118.9°
N2	C7	C8	H13	122.2°	121.1°
N2	C7	C9	H13	119.4°	121.0°
N2	C7	C8	O2	159.3°	1.9°
N2	C7	C9	C10	38.6°	65.0°
N2	C7	C9	H14	159.2°	55.0°
N2	C7	C9	H15	82.0°	175.0°
N2	C7	C8	N3	18.5°	177.7°
H12	N2	C7	C8	94.9°	93.2°
H12	N2	C7	C9	24.5°	25.7°
H12	N2	C7	H13	143.3°	146.2°
C8	C7	C9	H13	116.5°	120.2°
C7	C8	O2	N3	177.7°	179.5°
C8	C7	C9	C10	85.5°	176.2°
C8	C7	C9	H14	35.1°	63.8°
C8	C7	C9	H15	153.9°	56.2°
C7	C8	N3	C11	176.7°	173.5°
C7	C8	N3	H17	3.3°	6.8°
C8	C7	N2	C2	85.1°	87.3°
C9	C7	C8	O2	37.8°	117.0°
C7	C9	C10	H14	120.6°	120.0°
C7	C9	C10	H15	120.6°	120.0°
C7	C9	H14	H15	118.1°	120.0°
C7	C9	C10	O3	174.9°	0.0°
C7	C9	C10	O4	6.0°	180.0°
C9	C7	N2	C2	155.5°	153.8°
C9	C7	C8	N3	140.0°	63.4°
H13	C7	C8	O2	78.5°	123.0°
H13	C7	C9	C10	158.0°	56.0°
H13	C7	C9	H14	81.4°	176.0°
H13	C7	C9	H15	37.4°	64.0°
H13	C7	N2	C2	36.7°	33.3°
H13	C7	C8	N3	103.7°	56.6°
O2	C8	N3	C11	1.1°	6.9°
O2	C8	N3	H17	178.8°	172.8°
C10	C9	H14	H15	118.2°	120.0°
C9	C10	O3	O4	179.0°	180.0°
C9	C10	O4	H16	179.0°	180.0°
H14	C9	C10	O3	64.5°	120.0°
H14	C9	C10	O4	114.6°	60.0°
H15	C9	C10	O3	54.3°	120.0°
H15	C9	C10	O4	126.6°	60.0°
O3	C10	O4	H16	0.0°	0.1°
C11	N3	H17	C8	180.0°	179.7°
N3	C11	C12	C13	115.6°	124.3°
N3	C11	C12	H18	125.0°	117.6°
N3	C11	C13	H18	120.4°	117.8°
N3	C11	C12	O5	5.4°	74.6°
N3	C11	C13	C14	152.0°	65.1°
N3	C11	C13	H19	87.8°	55.0°
N3	C11	C13	H20	31.9°	175.0°
N3	C11	C12	N5	175.8°	105.1°
H17	N3	C11	C12	2.3°	116.9°
H17	N3	C11	C13	113.8°	118.5°
H17	N3	C11	H18	126.7°	0.8°
C12	C11	C13	H18	119.6°	118.2°
C11	C12	O5	N5	178.7°	179.7°
C12	C11	C13	C14	32.0°	171.0°
C12	C11	C13	H19	152.2°	68.9°
C12	C11	C13	H20	88.2°	51.0°
C11	C12	N5	C15	178.4°	164.8°
C11	C12	N5	H23	1.6°	16.4°
C12	C11	N3	C8	177.7°	62.8°
C13	C11	C12	O5	121.0°	161.1°
C11	C13	C14	H19	120.2°	120.0°
C11	C13	C14	H20	120.2°	120.0°
C11	C13	H19	H20	119.4°	120.0°
C11	C13	C14	O6	77.3°	0.0°
C11	C13	C14	N4	101.0°	180.0°
C13	C11	N3	C8	66.3°	61.8°
C13	C11	C12	N5	60.2°	19.1°
H18	C11	C12	O5	119.6°	43.0°
H18	C11	C13	C14	87.6°	52.8°
H18	C11	C13	H19	32.6°	172.8°
H18	C11	C13	H20	152.2°	67.2°
H18	C11	N3	C8	53.3°	179.5°
H18	C11	C12	N5	59.2°	137.2°
O5	C12	N5	C15	2.8°	15.4°
O5	C12	N5	H23	177.2°	163.3°
C14	C13	H19	H20	119.4°	120.0°
C13	C14	O6	N4	178.2°	180.0°
C13	C14	N4	H21	178.2°	0.0°
C13	C14	N4	H22	1.8°	179.9°
H19	C13	C14	O6	42.9°	120.0°
H19	C13	C14	N4	138.8°	60.0°
H20	C13	C14	O6	162.6°	120.0°
H20	C13	C14	N4	19.2°	60.0°
O6	C14	N4	H21	0.0°	180.0°
O6	C14	N4	H22	180.0°	0.0°
C14	N4	H21	H22	180.0°	180.0°
C15	N5	H23	C12	180.0°	178.8°
N5	C15	C16	H24	120.8°	121.2°
N5	C15	C16	H25	120.8°	119.2°
N5	C15	H24	H25	117.6°	119.6°
N5	C15	C16	O7	84.5°	15.3°
N5	C15	C16	N6	97.6°	164.9°
H23	N5	C15	C16	155.3°	88.2°
H23	N5	C15	H24	83.9°	150.9°
H23	N5	C15	H25	34.6°	31.1°
C16	C15	H24	H25	117.6°	119.5°
C15	C16	O7	N6	177.8°	179.8°
C15	C16	N6	C17	175.8°	179.3°
C15	C16	N6	C21	1.1°	1.8°
C16	C15	N5	C12	24.6°	90.6°
H24	C15	C16	O7	36.3°	105.9°
H24	C15	N5	C12	96.1°	30.3°
H24	C15	C16	N6	141.7°	73.9°
H25	C15	C16	O7	154.8°	134.5°
H25	C15	N5	C12	145.4°	150.1°
H25	C15	C16	N6	23.2°	45.7°
O7	C16	N6	C17	2.0°	0.9°
O7	C16	N6	C21	179.0°	178.0°
C17	N6	C21	C16	177.2°	179.1°
N6	C17	C18	C19	119.7°	120.7°
N6	C17	C18	H26	123.5°	121.4°
N6	C17	C19	H26	115.6°	118.4°
N6	C17	C18	O8	145.4°	123.3°
N6	C17	C19	C20	19.7°	5.1°
N6	C17	C19	H27	138.8°	114.2°
N6	C17	C19	H28	99.5°	124.0°
C17	N6	C21	C20	9.0°	10.3°
C17	N6	C21	H31	110.0°	109.5°
C17	N6	C21	H32	128.1°	130.4°
N6	C17	C18	N7	34.9°	60.2°
C21	N6	C17	C18	114.6°	130.5°
C21	N6	C17	C19	6.8°	9.6°
C21	N6	C17	H26	122.0°	108.2°
N6	C21	C20	C19	21.5°	6.8°
N6	C21	C20	H31	119.1°	119.7°
N6	C21	C20	H32	119.0°	119.9°
N6	C21	C20	H29	98.2°	112.3°
N6	C21	C20	H30	141.2°	126.3°
N6	C21	H31	H32	122.7°	120.2°
C18	C17	C19	H26	116.8°	118.3°
C17	C18	O8	N7	179.7°	176.5°
C18	C17	C19	C20	108.0°	128.4°
C18	C17	C19	H27	11.2°	9.0°
C18	C17	C19	H28	132.8°	112.7°
C17	C18	N7	C22	179.0°	159.5°
C17	C18	N7	H33	1.0°	23.3°
C18	C17	N6	C16	68.2°	50.5°
C19	C17	C18	O8	94.9°	2.6°
C17	C19	C20	H27	119.2°	120.0°
C17	C19	C20	H28	119.2°	118.9°
C17	C19	H27	H28	122.4°	121.7°
C17	C19	C20	C21	25.8°	1.0°
C17	C19	C20	H29	93.9°	118.0°
C17	C19	C20	H30	145.5°	120.8°
C19	C17	N6	C16	170.4°	171.4°
C19	C17	C18	N7	84.8°	179.1°
H26	C17	C18	O8	21.8°	115.3°
H26	C17	C19	C20	135.2°	113.2°
H26	C17	C19	H27	105.6°	127.4°
H26	C17	C19	H28	16.0°	5.6°
H26	C17	N6	C16	55.2°	70.8°
H26	C17	C18	N7	158.4°	61.1°
O8	C18	N7	C22	1.3°	24.1°
O8	C18	N7	H33	178.8°	153.1°
C20	C19	H27	H28	122.4°	121.2°
C19	C20	C21	H29	119.6°	119.1°
C19	C20	C21	H30	119.7°	119.6°
C19	C20	H29	H30	121.0°	121.6°
C19	C20	C21	H31	97.6°	112.9°
C19	C20	C21	H32	140.5°	126.7°
H27	C19	C20	C21	145.0°	121.0°
H27	C19	C20	H29	25.3°	2.0°
H27	C19	C20	H30	95.4°	119.3°
H28	C19	C20	C21	93.4°	117.9°
H28	C19	C20	H29	147.0°	123.2°
H28	C19	C20	H30	26.3°	1.9°
C21	C20	H29	H30	121.0°	121.8°
C20	C21	H31	H32	122.7°	120.7°
C20	C21	N6	C16	173.8°	170.7°
H29	C20	C21	H31	142.8°	128.0°
H29	C20	C21	H32	20.9°	7.6°
H30	C20	C21	H31	22.1°	6.7°
H30	C20	C21	H32	99.8°	113.7°
H31	C21	N6	C16	67.2°	69.6°
H32	C21	N6	C16	54.7°	50.5°
C22	N7	H33	C18	180.0°	177.1°
N7	C22	C23	C24	119.2°	119.9°
N7	C22	C23	H34	120.7°	121.0°
N7	C22	C24	H34	119.0°	121.8°
N7	C22	C23	O9	7.6°	62.8°
N7	C22	C24	C25	41.5°	172.8°
N7	C22	C24	H35	78.7°	52.9°
N7	C22	C24	H36	161.7°	67.2°
N7	C22	C23	N1	170.3°	117.1°
H33	N7	C22	C23	80.4°	22.9°
H33	N7	C22	C24	41.3°	140.9°
H33	N7	C22	H34	159.7°	97.6°
C23	C22	C24	H34	120.1°	118.9°
C22	C23	O9	N1	177.9°	179.9°
C23	C22	C24	C25	162.3°	67.9°
C23	C22	C24	H35	42.2°	172.3°
C23	C22	C24	H36	77.5°	52.2°
C23	C22	N7	C18	99.6°	159.9°
C24	C22	C23	O9	111.5°	57.2°
C22	C24	C25	H35	120.2°	119.9°
C22	C24	C25	H36	120.2°	120.0°
C22	C24	H35	H36	119.4°	120.0°
C22	C24	C25	C26	95.4°	175.2°
C22	C24	C25	H37	25.0°	64.8°
C22	C24	C25	H38	144.3°	55.2°
C24	C22	C23	N1	70.6°	123.0°
C24	C22	N7	C18	138.7°	41.9°
H34	C22	C23	O9	128.3°	176.2°
H34	C22	C24	C25	77.6°	51.0°
H34	C22	C24	H35	162.3°	68.9°
H34	C22	C24	H36	42.6°	171.1°
H34	C22	C23	N1	49.6°	3.9°
H34	C22	N7	C18	20.4°	79.5°
C25	C24	H35	H36	119.4°	120.1°
C24	C25	C26	H37	120.4°	119.9°
C24	C25	C26	H38	120.4°	120.1°
C24	C25	H37	H38	118.8°	120.0°
C24	C25	C26	C27	138.0°	180.0°
C24	C25	C26	H39	17.7°	60.1°
C24	C25	C26	H40	101.8°	59.9°
H35	C24	C25	C26	144.4°	55.3°
H35	C24	C25	H37	95.2°	175.3°
H35	C24	C25	H38	24.1°	64.7°
H36	C24	C25	C26	24.9°	64.7°
H36	C24	C25	H37	145.2°	55.3°
H36	C24	C25	H38	95.5°	175.2°
C26	C25	H37	H38	118.8°	120.0°
C25	C26	C27	H39	120.2°	119.9°
C25	C26	C27	H40	120.2°	120.1°
C25	C26	H39	H40	119.2°	120.0°
C25	C26	C27	N8	160.8°	180.0°
C25	C26	C27	H41	41.5°	60.1°
C25	C26	C27	H42	79.8°	59.9°
H37	C25	C26	C27	101.6°	60.1°
H37	C25	C26	H39	138.1°	180.0°
H37	C25	C26	H40	18.6°	60.0°
H38	C25	C26	C27	17.6°	59.9°
H38	C25	C26	H39	102.7°	60.0°
H38	C25	C26	H40	137.8°	NaN°
C27	C26	H39	H40	119.3°	120.1°
C26	C27	N8	H41	119.3°	119.9°
C26	C27	N8	H42	119.3°	120.0°
C26	C27	H41	H42	121.9°	120.0°
C26	C27	N8	H43	180.0°	180.0°
C26	C27	N8	H44	60.0°	60.1°
C26	C27	N8	H45	60.0°	59.9°
H39	C26	C27	N8	78.9°	60.1°
H39	C26	C27	H41	161.7°	180.0°
H39	C26	C27	H42	40.4°	60.0°
H40	C26	C27	N8	40.6°	59.9°
H40	C26	C27	H41	78.7°	60.0°
H40	C26	C27	H42	159.9°	180.0°
N8	C27	H41	H42	122.0°	120.1°
C27	N8	H43	H44	120.0°	120.0°
C27	N8	H43	H45	120.0°	120.1°
C27	N8	H44	H45	120.0°	120.1°
H41	C27	N8	H43	60.7°	60.0°
H41	C27	N8	H44	179.3°	180.0°
H41	C27	N8	H45	59.3°	60.0°
H42	C27	N8	H43	60.7°	60.0°
H42	C27	N8	H44	59.3°	60.0°
H42	C27	N8	H45	179.3°	180.0°
H43	N8	H44	H45	120.0°	120.0°

Release date:	2013-12-25
Last modified:	2014-03-25
Processing site:	PDBJ