PRD_000468

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.58Å
C1	O3	sing	1.43Å	1.44Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.56Å
C2	N1	sing	1.46Å	1.43Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.55Å
C3	O1	sing	1.43Å	1.45Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.57Å
C4	O2	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.54Å
C5	O3	sing	1.43Å	1.43Å
C5	H5	sing	1.09Å	1.10Å
C6	O4	sing	1.43Å	1.41Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	C8	sing	1.51Å	1.46Å
C7	N1	sing	1.35Å	1.35Å
C7	O5	doub	1.21Å	1.24Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
N1	H11	sing	0.97Å	1.00Å
O1	H12	sing	0.97Å	0.95Å
O4	H13	sing	0.97Å	0.95Å
C9	C10	sing	1.53Å	1.55Å
C9	O8	sing	1.43Å	1.43Å
C9	H14	sing	1.09Å	1.10Å
C10	C11	sing	1.53Å	1.57Å
C10	N2	sing	1.47Å	1.43Å
C10	H15	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.55Å
C11	O6	sing	1.43Å	1.43Å
C11	H16	sing	1.09Å	1.10Å
C12	C13	sing	1.53Å	1.56Å
C12	O7	sing	1.43Å	1.43Å
C12	H17	sing	1.09Å	1.10Å
C13	C14	sing	1.53Å	1.53Å
C13	O8	sing	1.43Å	1.43Å
C13	H18	sing	1.09Å	1.10Å
C14	O9	sing	1.43Å	1.41Å
C14	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
C15	C16	sing	1.51Å	1.44Å
C15	N2	sing	1.35Å	1.35Å
C15	O10	doub	1.21Å	1.27Å
C16	H21	sing	1.09Å	1.10Å
C16	H22	sing	1.09Å	1.10Å
C16	H23	sing	1.09Å	1.10Å
N2	H24	sing	0.97Å	1.00Å
O6	H25	sing	0.97Å	0.95Å
O7	H26	sing	0.97Å	0.95Å
O9	H27	sing	0.97Å	0.95Å
C17	C18	sing	1.55Å	1.55Å
C17	C21	sing	1.54Å	1.54Å
C17	O14	sing	1.45Å	1.43Å
C17	H28	sing	1.09Å	1.10Å
C18	C19	sing	1.54Å	1.53Å
C18	N3	sing	1.47Å	1.41Å
C18	H29	sing	1.09Å	1.10Å
C19	C20	sing	1.54Å	1.53Å
C19	O11	sing	1.43Å	1.41Å
C19	H30	sing	1.09Å	1.10Å
C20	C21	sing	1.53Å	1.53Å
C20	O12	sing	1.43Å	1.43Å
C20	H31	sing	1.09Å	1.10Å
C21	C22	sing	1.53Å	1.54Å
C21	H32	sing	1.09Å	1.10Å
C22	O13	sing	1.43Å	1.41Å
C22	H33	sing	1.09Å	1.10Å
C22	H34	sing	1.09Å	1.10Å
C23	N3	doub	1.30Å	1.36Å
C23	N4	sing	1.37Å	1.35Å
C23	O14	sing	1.35Å	1.35Å
C24	N4	sing	1.47Å	1.42Å
C24	H35	sing	1.09Å	1.10Å
C24	H36	sing	1.09Å	1.10Å
C24	H37	sing	1.09Å	1.10Å
C25	N4	sing	1.46Å	1.43Å
C25	H38	sing	1.09Å	1.10Å
C25	H39	sing	1.09Å	1.10Å
C25	H40	sing	1.09Å	1.10Å
O11	H41	sing	0.97Å	0.95Å
O13	H42	sing	0.97Å	0.95Å
O2	C9	sing	1.43Å	1.42Å
C1	O12	sing	1.43Å	1.43Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O3	111.2°	109.4°
C2	C1	H1	108.7°	109.5°
C1	C2	C3	112.4°	109.2°
C1	C2	N1	109.1°	109.5°
C1	C2	H2	108.4°	109.5°
C2	C1	O12	109.4°	109.4°
O3	C1	H1	110.6°	109.5°
C1	O3	C5	111.7°	114.1°
O3	C1	O12	106.2°	109.5°
H1	C1	O12	110.7°	109.5°
C3	C2	N1	107.8°	109.5°
C3	C2	H2	108.7°	109.5°
C2	C3	C4	106.6°	109.0°
C2	C3	O1	107.8°	109.5°
C2	C3	H3	110.2°	109.5°
N1	C2	H2	110.5°	109.6°
C2	N1	C7	123.3°	120.0°
C2	N1	H11	118.4°	120.1°
C4	C3	O1	110.2°	109.6°
C4	C3	H3	110.3°	109.6°
C3	C4	C5	109.3°	109.2°
C3	C4	O2	107.3°	109.5°
C3	C4	H4	111.5°	109.5°
O1	C3	H3	111.7°	109.6°
C3	O1	H12	109.5°	114.0°
C5	C4	O2	103.6°	109.5°
C5	C4	H4	111.2°	109.6°
C4	C5	C6	111.8°	109.5°
C4	C5	O3	108.8°	109.4°
C4	C5	H5	108.8°	109.5°
O2	C4	H4	113.5°	109.5°
C4	O2	C9	110.5°	114.0°
C6	C5	O3	107.5°	109.5°
C6	C5	H5	109.2°	109.5°
C5	C6	O4	110.4°	109.5°
C5	C6	H6	109.2°	109.5°
C5	C6	H7	109.2°	109.5°
O3	C5	H5	110.7°	109.5°
O4	C6	H6	109.2°	109.5°
O4	C6	H7	109.3°	109.5°
C6	O4	H13	109.5°	114.0°
H6	C6	H7	109.5°	109.4°
C8	C7	N1	120.0°	120.0°
C8	C7	O5	119.6°	120.0°
C7	C8	H8	109.5°	109.5°
C7	C8	H9	109.5°	109.5°
C7	C8	H10	109.5°	109.4°
N1	C7	O5	120.3°	120.0°
C7	N1	H11	118.4°	120.0°
H8	C8	H9	109.5°	109.5°
H8	C8	H10	109.5°	109.5°
H9	C8	H10	109.4°	109.5°
C10	C9	O8	110.3°	109.4°
C10	C9	H14	109.9°	109.5°
C9	C10	C11	110.0°	109.2°
C9	C10	N2	109.1°	109.5°
C9	C10	H15	108.2°	109.5°
C10	C9	O2	107.8°	109.5°
O8	C9	H14	111.6°	109.5°
C9	O8	C13	105.5°	114.1°
O8	C9	O2	105.3°	109.5°
H14	C9	O2	111.8°	109.5°
C11	C10	N2	111.7°	109.5°
C11	C10	H15	108.0°	109.5°
C10	C11	C12	108.6°	109.0°
C10	C11	O6	111.7°	109.6°
C10	C11	H16	108.8°	109.5°
N2	C10	H15	109.8°	109.6°
C10	N2	C15	127.2°	120.0°
C10	N2	H24	116.4°	120.0°
C12	C11	O6	107.9°	109.6°
C12	C11	H16	109.1°	109.6°
C11	C12	C13	104.9°	109.1°
C11	C12	O7	104.6°	109.5°
C11	C12	H17	111.6°	109.5°
O6	C11	H16	110.7°	109.6°
C11	O6	H25	109.5°	114.0°
C13	C12	O7	110.3°	109.5°
C13	C12	H17	111.4°	109.6°
C12	C13	C14	116.9°	109.5°
C12	C13	O8	108.8°	109.4°
C12	C13	H18	107.9°	109.5°
O7	C12	H17	113.5°	109.6°
C12	O7	H26	109.5°	114.0°
C14	C13	O8	105.4°	109.5°
C14	C13	H18	108.3°	109.5°
C13	C14	O9	109.7°	109.5°
C13	C14	H19	109.4°	109.5°
C13	C14	H20	109.5°	109.5°
O8	C13	H18	109.5°	109.5°
O9	C14	H19	109.4°	109.5°
O9	C14	H20	109.4°	109.5°
C14	O9	H27	109.5°	114.0°
H19	C14	H20	109.5°	109.4°
C16	C15	N2	117.3°	120.0°
C16	C15	O10	119.8°	120.0°
C15	C16	H21	109.5°	109.5°
C15	C16	H22	109.5°	109.5°
C15	C16	H23	109.5°	109.5°
N2	C15	O10	123.0°	120.0°
C15	N2	H24	116.4°	120.0°
H21	C16	H22	109.4°	109.5°
H21	C16	H23	109.5°	109.4°
H22	C16	H23	109.5°	109.5°
C18	C17	C21	105.1°	105.6°
C18	C17	O14	103.8°	100.7°
C18	C17	H28	111.8°	113.6°
C17	C18	C19	104.4°	105.1°
C17	C18	N3	104.5°	101.9°
C17	C18	H29	111.4°	113.0°
C21	C17	O14	109.9°	108.3°
C21	C17	H28	111.9°	113.3°
C17	C21	C20	106.1°	107.6°
C17	C21	C22	112.9°	109.8°
C17	C21	H32	109.0°	109.8°
O14	C17	H28	113.7°	114.2°
C17	O14	C23	108.8°	107.6°
C19	C18	N3	110.7°	110.0°
C19	C18	H29	111.6°	112.7°
C18	C19	C20	104.0°	106.3°
C18	C19	O11	109.1°	110.1°
C18	C19	H30	110.4°	110.1°
N3	C18	H29	113.6°	113.3°
C18	N3	C23	108.7°	108.3°
C20	C19	O11	110.2°	110.1°
C20	C19	H30	110.5°	110.1°
C19	C20	C21	100.0°	107.3°
C19	C20	O12	112.6°	109.9°
C19	C20	H31	111.3°	109.9°
O11	C19	H30	112.3°	110.1°
C19	O11	H41	109.5°	114.0°
C21	C20	O12	107.7°	109.9°
C21	C20	H31	111.4°	109.9°
C20	C21	C22	110.6°	109.8°
C20	C21	H32	109.2°	109.9°
O12	C20	H31	113.0°	110.0°
C20	O12	C1	112.7°	113.9°
C22	C21	H32	109.0°	109.9°
C21	C22	O13	107.2°	109.5°
C21	C22	H33	110.0°	109.5°
C21	C22	H34	110.0°	109.4°
O13	C22	H33	110.0°	109.4°
O13	C22	H34	110.0°	109.5°
C22	O13	H42	109.5°	114.1°
H33	C22	H34	109.5°	109.4°
N3	C23	N4	130.2°	123.1°
N3	C23	O14	113.1°	113.8°
N4	C23	O14	116.7°	123.1°
C23	N4	C24	117.7°	120.0°
C23	N4	C25	125.1°	120.0°
N4	C24	H35	109.5°	109.5°
N4	C24	H36	109.4°	109.5°
N4	C24	H37	109.5°	109.5°
C24	N4	C25	117.1°	120.0°
H35	C24	H36	109.4°	109.5°
H35	C24	H37	109.5°	109.4°
H36	C24	H37	109.5°	109.5°
N4	C25	H38	109.5°	109.5°
N4	C25	H39	109.4°	109.5°
N4	C25	H40	109.5°	109.5°
H38	C25	H39	109.5°	109.5°
H38	C25	H40	109.4°	109.5°
H39	C25	H40	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O3	H1	120.8°	120.0°
C2	C1	O3	O12	119.0°	119.9°
C2	C1	H1	O12	120.2°	120.0°
C1	C2	C3	N1	120.2°	119.9°
C1	C2	C3	H2	120.0°	119.9°
C1	C2	N1	H2	119.0°	120.1°
C1	C2	C3	C4	51.4°	57.0°
C1	C2	C3	O1	66.8°	62.9°
C1	C2	C3	H3	171.1°	176.9°
C2	C1	O3	C5	58.7°	61.2°
C1	C2	N1	C7	107.7°	85.0°
C1	C2	N1	H11	72.4°	95.0°
C2	C1	O12	C20	161.1°	175.0°
O3	C1	H1	O12	117.5°	120.1°
O3	C1	C2	C3	52.4°	57.6°
O3	C1	C2	N1	171.9°	177.5°
O3	C1	C2	H2	67.8°	62.3°
C1	O3	C5	C4	65.2°	61.2°
C1	O3	C5	C6	173.5°	178.8°
C1	O3	C5	H5	54.3°	58.8°
O3	C1	O12	C20	78.7°	65.1°
H1	C1	C2	C3	69.5°	62.4°
H1	C1	C2	N1	50.0°	57.5°
H1	C1	C2	H2	170.3°	177.7°
H1	C1	O3	C5	62.1°	58.8°
H1	C1	O12	C20	41.4°	55.0°
C3	C2	N1	H2	118.7°	120.2°
C2	C3	C4	O1	116.7°	119.9°
C2	C3	C4	H3	119.6°	119.9°
C2	C3	O1	H3	121.2°	120.2°
C2	C3	C4	C5	57.1°	57.0°
C2	C3	C4	O2	168.8°	176.9°
C2	C3	C4	H4	66.3°	63.0°
C3	C2	N1	C7	130.0°	155.3°
C3	C2	N1	H11	50.0°	24.7°
C2	C3	O1	H12	180.0°	60.0°
C3	C2	C1	O12	169.4°	177.6°
N1	C2	C3	C4	171.7°	176.9°
N1	C2	C3	O1	53.4°	57.0°
N1	C2	C3	H3	68.7°	63.2°
C2	N1	C7	C8	178.6°	180.0°
C2	N1	C7	H11	180.0°	180.0°
C2	N1	C7	O5	4.2°	0.0°
N1	C2	C1	O12	71.1°	62.5°
H2	C2	C3	C4	68.6°	62.9°
H2	C2	C3	O1	173.2°	177.2°
H2	C2	C3	H3	51.1°	57.0°
H2	C2	N1	C7	11.4°	35.1°
H2	C2	N1	H11	168.6°	144.9°
H2	C2	C1	O12	49.3°	57.7°
C4	C3	O1	H3	122.9°	120.3°
C3	C4	C5	O2	114.2°	119.9°
C3	C4	C5	H4	123.5°	119.9°
C3	C4	O2	H4	123.6°	120.2°
C3	C4	C5	C6	176.4°	177.6°
C3	C4	C5	O3	65.0°	57.7°
C3	C4	C5	H5	55.7°	62.4°
C4	C3	O1	H12	64.1°	179.6°
C3	C4	O2	C9	95.6°	96.2°
O1	C3	C4	C5	59.6°	62.9°
O1	C3	C4	O2	52.1°	57.0°
O1	C3	C4	H4	177.0°	177.2°
H3	C3	C4	C5	176.7°	176.9°
H3	C3	C4	O2	71.6°	63.3°
H3	C3	C4	H4	53.3°	56.9°
H3	C3	O1	H12	58.8°	60.2°
C5	C4	O2	H4	120.8°	120.2°
C4	C5	C6	O3	119.4°	119.9°
C4	C5	C6	H5	120.5°	120.1°
C4	C5	O3	H5	119.5°	120.0°
C4	C5	C6	O4	177.1°	174.8°
C4	C5	C6	H6	62.8°	54.8°
C4	C5	C6	H7	56.9°	65.1°
C5	C4	O2	C9	148.8°	144.1°
O2	C4	C5	C6	62.3°	62.5°
O2	C4	C5	O3	179.2°	177.6°
O2	C4	C5	H5	58.5°	57.5°
C4	O2	C9	C10	145.9°	172.9°
C4	O2	C9	O8	96.4°	67.2°
C4	O2	C9	H14	24.9°	52.8°
H4	C4	C5	C6	60.1°	57.7°
H4	C4	C5	O3	58.5°	62.3°
H4	C4	C5	H5	179.2°	177.7°
H4	C4	O2	C9	28.0°	24.0°
C6	C5	O3	H5	119.2°	120.0°
C5	C6	O4	H6	120.1°	120.0°
C5	C6	O4	H7	120.1°	120.0°
C5	C6	H6	H7	119.6°	120.0°
C5	C6	O4	H13	180.0°	180.0°
O3	C5	C6	O4	57.7°	65.3°
O3	C5	C6	H6	177.8°	174.7°
O3	C5	C6	H7	62.4°	54.8°
C5	O3	C1	O12	177.7°	178.9°
H5	C5	C6	O4	62.4°	54.8°
H5	C5	C6	H6	57.7°	65.2°
H5	C5	C6	H7	177.4°	174.8°
O4	C6	H6	H7	119.6°	120.0°
H6	C6	O4	H13	59.9°	60.0°
H7	C6	O4	H13	59.8°	60.0°
C8	C7	N1	O5	177.2°	179.9°
C7	C8	H8	H9	120.0°	120.0°
C7	C8	H8	H10	120.0°	120.0°
C7	C8	H9	H10	120.0°	119.9°
C8	C7	N1	H11	1.4°	0.0°
N1	C7	C8	H8	177.2°	60.0°
N1	C7	C8	H9	57.2°	180.0°
N1	C7	C8	H10	62.7°	60.0°
O5	C7	C8	H8	0.0°	120.0°
O5	C7	C8	H9	120.0°	0.1°
O5	C7	C8	H10	120.0°	120.0°
O5	C7	N1	H11	175.8°	180.0°
H8	C8	H9	H10	120.0°	120.0°
C10	C9	O8	H14	122.4°	120.0°
C10	C9	O8	O2	116.1°	120.0°
C10	C9	H14	O2	119.8°	120.1°
C9	C10	C11	N2	121.3°	119.9°
C9	C10	C11	H15	117.8°	119.9°
C9	C10	N2	H15	118.4°	120.1°
C9	C10	C11	C12	52.1°	57.0°
C9	C10	C11	O6	66.7°	62.9°
C9	C10	C11	H16	170.8°	176.9°
C10	C9	O8	C13	66.9°	61.2°
C9	C10	N2	C15	140.4°	85.1°
C9	C10	N2	H24	39.6°	95.0°
O8	C9	H14	O2	117.6°	120.0°
O8	C9	C10	C11	57.1°	57.6°
O8	C9	C10	N2	179.9°	177.6°
O8	C9	C10	H15	60.7°	62.3°
C9	O8	C13	C12	74.3°	61.2°
C9	O8	C13	C14	159.6°	178.8°
C9	O8	C13	H18	43.3°	58.8°
H14	C9	C10	C11	66.3°	62.4°
H14	C9	C10	N2	56.5°	57.6°
H14	C9	C10	H15	175.9°	177.7°
H14	C9	O8	C13	55.6°	58.8°
C11	C10	N2	H15	119.8°	120.2°
C10	C11	C12	O6	121.2°	119.9°
C10	C11	C12	H16	118.5°	119.9°
C10	C11	O6	H16	121.5°	120.2°
C10	C11	C12	C13	56.3°	57.0°
C10	C11	C12	O7	172.4°	176.9°
C10	C11	C12	H17	64.5°	62.9°
C11	C10	N2	C15	97.7°	155.3°
C11	C10	N2	H24	82.3°	24.7°
C10	C11	O6	H25	180.0°	180.0°
C11	C10	C9	O2	171.5°	177.6°
N2	C10	C11	C12	173.5°	176.9°
N2	C10	C11	O6	54.6°	57.0°
N2	C10	C11	H16	67.9°	63.2°
C10	N2	C15	C16	1.5°	180.0°
C10	N2	C15	H24	180.0°	179.9°
C10	N2	C15	O10	178.3°	0.1°
N2	C10	C9	O2	65.6°	62.5°
H15	C10	C11	C12	65.7°	62.9°
H15	C10	C11	O6	175.5°	177.2°
H15	C10	C11	H16	52.9°	57.0°
H15	C10	N2	C15	22.1°	35.1°
H15	C10	N2	H24	157.9°	144.9°
H15	C10	C9	O2	53.8°	57.7°
C12	C11	O6	H16	119.3°	120.2°
C11	C12	C13	O7	112.1°	119.9°
C11	C12	C13	H17	120.9°	119.9°
C11	C12	O7	H17	121.9°	120.1°
C11	C12	C13	C14	171.5°	177.6°
C11	C12	C13	O8	69.4°	57.6°
C11	C12	C13	H18	49.3°	62.4°
C12	C11	O6	H25	60.7°	60.4°
C11	C12	O7	H26	180.0°	180.0°
O6	C11	C12	C13	64.9°	62.9°
O6	C11	C12	O7	51.2°	57.0°
O6	C11	C12	H17	174.3°	177.2°
H16	C11	C12	C13	174.8°	176.9°
H16	C11	C12	O7	69.1°	63.3°
H16	C11	C12	H17	54.0°	56.9°
H16	C11	O6	H25	58.6°	59.8°
C13	C12	O7	H17	125.8°	120.2°
C12	C13	C14	O8	120.9°	119.9°
C12	C13	C14	H18	122.0°	120.0°
C12	C13	O8	H18	117.7°	120.0°
C12	C13	C14	O9	64.5°	175.0°
C12	C13	C14	H19	175.5°	55.0°
C12	C13	C14	H20	55.5°	65.0°
C13	C12	O7	H26	67.7°	60.3°
O7	C12	C13	C14	59.4°	62.5°
O7	C12	C13	O8	178.5°	177.5°
O7	C12	C13	H18	62.8°	57.5°
H17	C12	C13	C14	67.6°	57.7°
H17	C12	C13	O8	51.5°	62.3°
H17	C12	C13	H18	170.2°	177.7°
H17	C12	O7	H26	58.1°	59.9°
C14	C13	O8	H18	116.2°	120.1°
C13	C14	O9	H19	120.0°	120.0°
C13	C14	O9	H20	120.1°	120.0°
C13	C14	H19	H20	119.9°	120.0°
C13	C14	O9	H27	180.0°	180.0°
O8	C13	C14	O9	56.4°	65.1°
O8	C13	C14	H19	63.6°	174.9°
O8	C13	C14	H20	176.4°	54.9°
C13	O8	C9	O2	177.1°	178.8°
H18	C13	C14	O9	173.5°	55.0°
H18	C13	C14	H19	53.5°	65.0°
H18	C13	C14	H20	66.5°	175.0°
O9	C14	H19	H20	119.9°	120.0°
H19	C14	O9	H27	60.0°	60.0°
H20	C14	O9	H27	60.0°	60.0°
C16	C15	N2	O10	179.7°	179.9°
C15	C16	H21	H22	120.0°	120.1°
C15	C16	H21	H23	120.0°	120.0°
C15	C16	H22	H23	120.0°	120.0°
C16	C15	N2	H24	178.5°	0.1°
N2	C15	C16	H21	179.7°	89.9°
N2	C15	C16	H22	59.7°	150.0°
N2	C15	C16	H23	60.3°	30.0°
O10	C15	C16	H21	0.0°	90.0°
O10	C15	C16	H22	120.0°	30.0°
O10	C15	C16	H23	120.0°	150.0°
O10	C15	N2	H24	1.7°	180.0°
H21	C16	H22	H23	120.0°	120.0°
C18	C17	C21	O14	111.1°	107.2°
C18	C17	C21	H28	121.5°	125.0°
C18	C17	O14	H28	121.7°	122.1°
C17	C18	C19	N3	111.9°	109.0°
C17	C18	C19	H29	120.5°	123.5°
C17	C18	N3	H29	121.7°	121.7°
C17	C18	C19	C20	34.2°	27.8°
C17	C18	C19	O11	151.8°	91.3°
C17	C18	C19	H30	84.3°	147.1°
C18	C17	C21	C20	18.6°	16.6°
C18	C17	C21	C22	139.9°	136.1°
C18	C17	C21	H32	98.8°	103.0°
C17	C18	N3	C23	9.0°	16.3°
C18	C17	O14	C23	8.3°	26.6°
C21	C17	O14	H28	126.4°	127.3°
C21	C17	C18	C19	9.5°	27.4°
C21	C17	C18	N3	125.8°	87.4°
C21	C17	C18	H29	111.1°	150.7°
C17	C21	C20	C19	39.0°	0.6°
C17	C21	C20	C22	122.7°	119.5°
C17	C21	C20	H32	117.3°	119.5°
C17	C21	C20	O12	156.8°	118.8°
C17	C21	C20	H31	78.8°	120.0°
C17	C21	C22	H32	121.3°	120.9°
C17	C21	C22	O13	70.0°	66.4°
C17	C21	C22	H33	170.4°	173.6°
C17	C21	C22	H34	49.7°	53.6°
C21	C17	O14	C23	120.2°	84.0°
O14	C17	C18	C19	105.9°	140.0°
O14	C17	C18	N3	10.4°	25.3°
O14	C17	C18	H29	133.5°	96.7°
O14	C17	C21	C20	129.7°	123.8°
O14	C17	C21	C22	109.1°	116.7°
O14	C17	C21	H32	12.3°	4.3°
C17	O14	C23	N3	3.1°	18.5°
C17	O14	C23	N4	174.8°	161.4°
H28	C17	C18	C19	131.1°	97.5°
H28	C17	C18	N3	112.6°	147.7°
H28	C17	C18	H29	10.5°	25.8°
H28	C17	C21	C20	102.9°	108.4°
H28	C17	C21	C22	18.3°	11.1°
H28	C17	C21	H32	139.6°	132.1°
H28	C17	O14	C23	113.4°	148.7°
C19	C18	N3	H29	126.5°	127.2°
C18	C19	C20	O11	116.8°	119.1°
C18	C19	C20	H30	118.5°	119.3°
C18	C19	O11	H30	122.8°	121.6°
C18	C19	C20	C21	45.0°	17.8°
C18	C19	C20	O12	159.1°	101.6°
C18	C19	C20	H31	72.9°	137.2°
C19	C18	N3	C23	102.9°	127.5°
C18	C19	O11	H41	180.0°	61.5°
N3	C18	C19	C20	146.1°	81.1°
N3	C18	C19	O11	96.3°	159.7°
N3	C18	C19	H30	27.6°	38.1°
C18	N3	C23	N4	178.2°	179.7°
C18	N3	C23	O14	4.2°	0.2°
H29	C18	C19	C20	86.3°	151.3°
H29	C18	C19	O11	31.3°	32.2°
H29	C18	C19	H30	155.2°	89.4°
H29	C18	N3	C23	130.7°	105.4°
C20	C19	O11	H30	123.7°	121.6°
C19	C20	C21	O12	117.8°	119.4°
C19	C20	C21	H31	117.8°	119.4°
C19	C20	O12	H31	127.2°	121.1°
C19	C20	C21	C22	161.8°	119.0°
C19	C20	C21	H32	78.3°	120.0°
C20	C19	O11	H41	66.5°	178.3°
C19	C20	O12	C1	92.7°	91.5°
O11	C19	C20	C21	161.8°	101.4°
O11	C19	C20	O12	84.2°	139.2°
O11	C19	C20	H31	43.9°	18.0°
H30	C19	C20	C21	73.5°	137.0°
H30	C19	C20	O12	40.6°	17.6°
H30	C19	C20	H31	168.6°	103.6°
H30	C19	O11	H41	57.2°	60.1°
C21	C20	O12	H31	123.5°	121.1°
C20	C21	C22	H32	120.0°	121.0°
C20	C21	C22	O13	171.3°	175.4°
C20	C21	C22	H33	51.7°	55.4°
C20	C21	C22	H34	69.0°	64.6°
C21	C20	O12	C1	157.9°	150.8°
O12	C20	C21	C22	80.4°	121.6°
O12	C20	C21	H32	39.5°	0.7°
H31	C20	C21	C22	44.0°	0.5°
H31	C20	C21	H32	163.9°	120.5°
H31	C20	O12	C1	34.5°	29.7°
C21	C22	O13	H33	119.6°	120.0°
C21	C22	O13	H34	119.6°	120.0°
C21	C22	H33	H34	121.0°	120.0°
C21	C22	O13	H42	180.0°	180.0°
H32	C21	C22	O13	51.3°	54.4°
H32	C21	C22	H33	68.4°	65.6°
H32	C21	C22	H34	171.0°	174.5°
O13	C22	H33	H34	121.1°	120.0°
H33	C22	O13	H42	60.3°	60.0°
H34	C22	O13	H42	60.4°	60.0°
N3	C23	N4	O14	177.5°	179.9°
N3	C23	N4	C24	3.9°	0.1°
N3	C23	N4	C25	176.2°	180.0°
C23	N4	C24	C25	179.9°	179.9°
C23	N4	C24	H35	180.0°	90.0°
C23	N4	C24	H36	60.0°	149.9°
C23	N4	C24	H37	60.0°	30.0°
C23	N4	C25	H38	180.0°	90.0°
C23	N4	C25	H39	60.0°	150.0°
C23	N4	C25	H40	60.0°	30.1°
O14	C23	N4	C24	178.5°	180.0°
O14	C23	N4	C25	1.4°	0.1°
N4	C24	H35	H36	120.0°	120.0°
N4	C24	H35	H37	120.0°	120.0°
N4	C24	H36	H37	120.0°	120.0°
C24	N4	C25	H38	0.1°	90.0°
C24	N4	C25	H39	119.9°	30.1°
C24	N4	C25	H40	120.1°	150.0°
H35	C24	H36	H37	120.0°	120.0°
H35	C24	N4	C25	0.1°	90.0°
H36	C24	N4	C25	120.1°	30.0°
H37	C24	N4	C25	119.9°	150.0°
N4	C25	H38	H39	120.0°	120.0°
N4	C25	H38	H40	120.0°	120.0°
N4	C25	H39	H40	120.0°	120.0°
H38	C25	H39	H40	120.0°	120.0°

Release date:	2015-07-18
Last modified:	2022-03-03
Processing site:	RCSB