W9G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C3	sing	1.43Å	1.39Å
C3	C2	sing	1.53Å	1.53Å
O1	C1	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.55Å
C1	C17	sing	1.53Å	1.54Å
C2	O3	sing	1.43Å	1.40Å
C2	C4	sing	1.53Å	1.53Å
O6	C17	sing	1.43Å	1.42Å
C17	C16	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.52Å
C10	C9	sing	1.53Å	1.53Å
C10	C11	sing	1.53Å	1.54Å
C9	C8	sing	1.53Å	1.53Å
C5	C16	sing	1.53Å	1.53Å
C5	N1	sing	1.47Å	1.46Å
C16	O5	sing	1.43Å	1.41Å
C6	C7	sing	1.53Å	1.53Å
C6	N1	sing	1.47Å	1.46Å
C7	C8	sing	1.53Å	1.53Å
C12	C11	sing	1.53Å	1.54Å
C12	C13	sing	1.53Å	1.53Å
C14	C13	sing	1.53Å	1.53Å
C14	O4	sing	1.43Å	1.40Å
C15	O4	sing	1.43Å	1.40Å
N1	H1	sing	1.01Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
C15	H17	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C17	H19	sing	1.09Å	1.10Å
C1	H20	sing	1.09Å	1.10Å
C11	H21	sing	1.09Å	1.10Å
C11	H22	sing	1.09Å	1.10Å
C12	H23	sing	1.09Å	1.10Å
C12	H24	sing	1.09Å	1.10Å
C14	H25	sing	1.09Å	1.10Å
C14	H26	sing	1.09Å	1.10Å
C16	H27	sing	1.09Å	1.10Å
C3	H28	sing	1.09Å	1.10Å
C3	H29	sing	1.09Å	1.10Å
C9	H30	sing	1.09Å	1.10Å
C9	H31	sing	1.09Å	1.10Å
O1	H32	sing	0.97Å	0.95Å
O2	H33	sing	0.97Å	0.95Å
O3	H34	sing	0.97Å	0.95Å
O5	H35	sing	0.97Å	0.95Å
O6	H36	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C3	C2	109.9°	109.5°
O2	C3	H28	109.3°	109.5°
O2	C3	H29	109.4°	109.5°
C3	O2	H33	109.5°	114.0°
C3	C2	C1	110.6°	109.5°
C3	C2	O3	107.7°	109.5°
C3	C2	C4	109.5°	109.5°
C2	C3	H28	109.4°	109.4°
C2	C3	H29	109.4°	109.5°
O1	C1	C2	107.3°	109.5°
O1	C1	C17	106.6°	109.5°
O1	C1	H20	111.3°	109.5°
C1	O1	H32	109.5°	114.0°
C2	C1	C17	112.9°	109.5°
C1	C2	O3	108.0°	109.4°
C1	C2	C4	114.6°	109.5°
C2	C1	H20	109.3°	109.5°
C1	C17	O6	112.1°	109.5°
C1	C17	C16	111.2°	109.4°
C1	C17	H19	106.6°	109.4°
C17	C1	H20	109.4°	109.4°
O3	C2	C4	106.1°	109.4°
C2	O3	H34	109.5°	114.0°
C2	C4	C5	106.2°	109.5°
C2	C4	H3	110.3°	109.5°
C2	C4	H4	110.3°	109.5°
O6	C17	C16	111.8°	109.5°
O6	C17	H19	108.2°	109.5°
C17	O6	H36	109.5°	113.9°
C17	C16	C5	105.4°	109.5°
C17	C16	O5	111.7°	109.4°
C16	C17	H19	106.7°	109.5°
C17	C16	H27	108.2°	109.5°
C4	C5	C16	117.1°	109.4°
C4	C5	N1	117.9°	109.5°
C5	C4	H3	110.3°	109.5°
C5	C4	H4	110.3°	109.5°
C4	C5	H5	98.2°	109.4°
C9	C10	C11	113.9°	109.5°
C10	C9	C8	113.4°	109.5°
C9	C10	H12	108.3°	109.4°
C9	C10	H13	108.3°	109.5°
C10	C9	H30	108.5°	109.5°
C10	C9	H31	108.5°	109.4°
C10	C11	C12	113.0°	109.5°
C11	C10	H12	108.4°	109.5°
C11	C10	H13	108.4°	109.5°
C10	C11	H21	108.6°	109.5°
C10	C11	H22	108.6°	109.5°
C9	C8	C7	112.3°	109.5°
C9	C8	H10	108.8°	109.5°
C9	C8	H11	108.8°	109.5°
C8	C9	H30	108.5°	109.5°
C8	C9	H31	108.5°	109.5°
C16	C5	N1	118.9°	109.5°
C5	C16	O5	113.2°	109.5°
C16	C5	H5	98.1°	109.5°
C5	C16	H27	108.3°	109.5°
C5	N1	C6	113.3°	111.0°
C5	N1	H1	108.5°	111.0°
N1	C5	H5	98.5°	109.5°
O5	C16	H27	109.9°	109.5°
C16	O5	H35	109.5°	114.1°
C7	C6	N1	111.2°	109.5°
C6	C7	C8	112.7°	109.5°
C7	C6	H6	109.1°	109.5°
C7	C6	H7	109.0°	109.4°
C6	C7	H8	108.7°	109.5°
C6	C7	H9	108.7°	109.5°
C6	N1	H1	108.5°	111.1°
N1	C6	H6	109.0°	109.5°
N1	C6	H7	109.0°	109.5°
C8	C7	H8	108.7°	109.5°
C8	C7	H9	108.6°	109.4°
C7	C8	H10	108.7°	109.5°
C7	C8	H11	108.8°	109.4°
C11	C12	C13	114.6°	109.5°
C12	C11	H21	108.6°	109.5°
C12	C11	H22	108.6°	109.4°
C11	C12	H23	108.2°	109.4°
C11	C12	H24	108.2°	109.5°
C12	C13	C14	112.3°	109.4°
C12	C13	H14	108.8°	109.5°
C12	C13	H15	108.8°	109.4°
C13	C12	H23	108.2°	109.5°
C13	C12	H24	108.2°	109.5°
C13	C14	O4	108.2°	109.4°
C14	C13	H14	108.8°	109.5°
C14	C13	H15	108.8°	109.5°
C13	C14	H25	109.8°	109.5°
C13	C14	H26	109.8°	109.5°
C14	O4	C15	113.9°	114.0°
O4	C14	H25	109.8°	109.4°
O4	C14	H26	109.8°	109.4°
O4	C15	H16	109.5°	109.5°
O4	C15	H17	109.5°	109.4°
O4	C15	H18	109.4°	109.5°
H3	C4	H4	109.4°	109.4°
H6	C6	H7	109.5°	109.5°
H8	C7	H9	109.4°	109.4°
H10	C8	H11	109.5°	109.5°
H12	C10	H13	109.5°	109.5°
H14	C13	H15	109.4°	109.5°
H16	C15	H17	109.5°	109.5°
H16	C15	H18	109.5°	109.5°
H17	C15	H18	109.5°	109.5°
H21	C11	H22	109.4°	109.5°
H23	C12	H24	109.5°	109.5°
H25	C14	H26	109.5°	109.5°
H28	C3	H29	109.5°	109.5°
H30	C9	H31	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C3	C2	H28	120.0°	120.0°
O2	C3	C2	H29	120.1°	120.0°
O2	C3	C2	C1	58.4°	55.0°
O2	C3	C2	O3	176.2°	65.0°
O2	C3	C2	C4	68.9°	175.0°
O2	C3	H28	H29	119.8°	120.0°
C3	C2	C1	O1	68.5°	60.0°
C3	C2	C1	O3	117.6°	120.0°
C3	C2	C1	C4	124.4°	120.0°
C3	C2	C1	C17	174.4°	180.0°
C3	C2	O3	C4	117.2°	120.0°
C3	C2	C4	C5	174.0°	180.0°
C3	C2	C4	H3	66.5°	60.0°
C3	C2	C4	H4	54.5°	60.0°
C3	C2	C1	H20	52.3°	60.0°
C2	C3	H28	H29	119.8°	120.0°
C2	C3	O2	H33	180.0°	180.0°
C3	C2	O3	H34	180.0°	60.0°
O1	C1	C2	C17	117.2°	120.0°
O1	C1	C2	H20	120.8°	120.0°
O1	C1	C17	H20	120.5°	120.0°
O1	C1	C2	O3	49.1°	60.0°
O1	C1	C2	C4	167.1°	180.0°
O1	C1	C17	O6	63.3°	60.0°
O1	C1	C17	C16	170.9°	180.0°
O1	C1	C17	H19	54.9°	60.0°
C2	C1	C17	H20	122.0°	120.0°
C1	C2	O3	C4	123.4°	119.9°
C2	C1	C17	O6	179.2°	180.0°
C2	C1	C17	C16	53.4°	60.0°
C1	C2	C4	C5	49.1°	60.0°
C1	C2	C4	H3	168.6°	60.1°
C1	C2	C4	H4	70.4°	180.0°
C2	C1	C17	H19	62.6°	60.0°
C1	C2	C3	H28	61.7°	65.0°
C1	C2	C3	H29	178.4°	175.0°
C2	C1	O1	H32	180.0°	180.0°
C1	C2	O3	H34	60.6°	60.0°
C17	C1	C2	O3	68.1°	60.0°
C17	C1	C2	C4	50.0°	60.0°
C1	C17	O6	C16	125.5°	120.0°
C1	C17	O6	H19	117.3°	120.0°
C1	C17	C16	H19	115.9°	119.9°
C1	C17	C16	C5	56.7°	60.0°
C1	C17	C16	O5	180.0°	180.0°
C1	C17	C16	H27	59.0°	60.0°
C17	C1	O1	H32	58.9°	60.0°
C1	C17	O6	H36	180.0°	180.0°
O3	C2	C4	C5	70.1°	59.9°
O3	C2	C4	H3	49.4°	180.0°
O3	C2	C4	H4	170.4°	60.1°
O3	C2	C1	H20	169.9°	180.0°
O3	C2	C3	H28	56.1°	175.0°
O3	C2	C3	H29	63.8°	55.0°
C2	C4	C5	H3	119.5°	120.0°
C2	C4	C5	H4	119.5°	120.0°
C2	C4	C5	C16	58.8°	60.0°
C2	C4	C5	N1	93.4°	60.0°
C2	C4	H3	H4	121.5°	120.0°
C2	C4	C5	H5	162.4°	180.0°
C4	C2	C1	H20	72.1°	60.0°
C4	C2	C3	H28	171.1°	55.0°
C4	C2	C3	H29	51.2°	65.0°
C4	C2	O3	H34	62.8°	180.0°
O6	C17	C16	H19	118.1°	120.1°
O6	C17	C16	C5	177.3°	180.0°
O6	C17	C16	O5	54.0°	60.0°
O6	C17	C1	H20	57.2°	60.0°
O6	C17	C16	H27	67.1°	59.9°
C17	C16	C5	C4	63.4°	60.1°
C17	C16	C5	O5	122.4°	119.9°
C17	C16	C5	H27	115.6°	120.0°
C17	C16	C5	N1	88.5°	60.0°
C17	C16	O5	H27	120.0°	120.0°
C17	C16	C5	H5	167.0°	180.0°
C16	C17	C1	H20	68.6°	60.0°
C17	C16	O5	H35	180.0°	60.0°
C16	C17	O6	H36	54.5°	60.1°
C4	C5	C16	N1	152.0°	120.0°
C4	C5	C16	H5	103.6°	119.9°
C4	C5	N1	H5	104.0°	120.0°
C4	C5	C16	O5	174.2°	180.0°
C4	C5	N1	C6	9.4°	155.0°
C4	C5	N1	H1	129.9°	81.0°
C5	C4	H3	H4	121.5°	120.0°
C4	C5	C16	H27	52.1°	60.0°
C9	C10	C11	H12	120.6°	120.0°
C9	C10	C11	H13	120.7°	120.0°
C10	C9	C8	H30	120.6°	120.0°
C10	C9	C8	H31	120.6°	120.0°
C10	C9	C8	C7	173.2°	180.0°
C9	C10	C11	C12	171.1°	180.0°
C10	C9	C8	H10	66.4°	60.0°
C10	C9	C8	H11	52.7°	60.0°
C9	C10	H12	H13	118.0°	120.0°
C9	C10	C11	H21	50.5°	60.0°
C9	C10	C11	H22	68.4°	60.0°
C10	C9	H30	H31	118.2°	119.9°
C11	C10	C9	C8	23.2°	180.0°
C10	C11	C12	H21	120.6°	120.1°
C10	C11	C12	H22	120.5°	120.0°
C10	C11	C12	C13	159.4°	180.0°
C11	C10	H12	H13	118.0°	120.0°
C10	C11	H21	H22	118.4°	120.0°
C10	C11	C12	H23	79.9°	60.0°
C10	C11	C12	H24	38.6°	59.9°
C11	C10	C9	H30	143.8°	59.9°
C11	C10	C9	H31	97.3°	60.0°
C9	C8	C7	C6	115.7°	180.0°
C9	C8	C7	H10	120.4°	120.1°
C9	C8	C7	H11	120.4°	120.0°
C9	C8	C7	H8	123.8°	59.9°
C9	C8	C7	H9	4.8°	60.0°
C9	C8	H10	H11	118.7°	120.0°
C8	C9	C10	H12	143.9°	60.0°
C8	C9	C10	H13	97.4°	59.9°
C8	C9	H30	H31	118.2°	120.0°
C16	C5	N1	H5	104.2°	120.0°
C5	C16	O5	H27	121.2°	120.1°
C16	C5	N1	C6	161.1°	85.0°
C16	C5	N1	H1	78.3°	39.0°
C16	C5	C4	H3	178.3°	60.0°
C16	C5	C4	H4	60.7°	179.9°
C5	C16	C17	H19	59.2°	59.9°
C5	C16	O5	H35	61.2°	180.0°
N1	C5	C16	O5	33.8°	60.0°
C5	N1	C6	C7	164.6°	180.0°
C5	N1	C6	H1	120.5°	124.0°
N1	C5	C4	H3	26.1°	180.0°
N1	C5	C4	H4	147.1°	60.0°
C5	N1	C6	H6	75.2°	60.0°
C5	N1	C6	H7	44.3°	60.1°
N1	C5	C16	H27	155.9°	180.0°
O5	C16	C5	H5	70.6°	60.1°
O5	C16	C17	H19	64.1°	60.1°
C7	C6	N1	H6	120.3°	120.0°
C7	C6	N1	H7	120.2°	119.9°
C6	C7	C8	H8	120.5°	120.1°
C6	C7	C8	H9	120.5°	120.0°
C7	C6	N1	H1	74.9°	56.0°
C7	C6	H6	H7	119.2°	120.0°
C6	C7	H8	H9	118.5°	120.0°
C6	C7	C8	H10	123.9°	59.9°
C6	C7	C8	H11	4.7°	60.0°
N1	C6	C7	C8	156.0°	180.0°
C6	N1	C5	H5	94.6°	35.0°
N1	C6	H6	H7	119.2°	120.0°
N1	C6	C7	H8	35.5°	60.0°
N1	C6	C7	H9	83.5°	60.0°
C8	C7	C6	H6	35.8°	60.0°
C8	C7	C6	H7	83.7°	60.0°
C8	C7	H8	H9	118.5°	119.9°
C7	C8	H10	H11	118.7°	119.9°
C7	C8	C9	H30	52.6°	60.0°
C7	C8	C9	H31	66.3°	60.0°
C11	C12	C13	H23	120.7°	120.0°
C11	C12	C13	H24	120.8°	120.0°
C11	C12	C13	C14	134.2°	180.0°
C12	C11	C10	H12	68.3°	60.0°
C12	C11	C10	H13	50.4°	60.0°
C11	C12	C13	H14	13.7°	60.0°
C11	C12	C13	H15	105.4°	60.0°
C12	C11	H21	H22	118.4°	119.9°
C11	C12	H23	H24	117.7°	120.0°
C12	C13	C14	H14	120.4°	120.0°
C12	C13	C14	H15	120.4°	120.0°
C12	C13	C14	O4	144.9°	180.0°
C12	C13	H14	H15	118.7°	120.0°
C13	C12	C11	H21	38.8°	59.9°
C13	C12	C11	H22	80.1°	60.0°
C13	C12	H23	H24	117.7°	120.0°
C12	C13	C14	H25	25.1°	60.0°
C12	C13	C14	H26	95.3°	60.1°
C13	C14	O4	H25	119.8°	120.0°
C13	C14	O4	H26	119.8°	120.0°
C13	C14	O4	C15	96.0°	180.0°
C14	C13	H14	H15	118.7°	120.1°
C14	C13	C12	H23	105.1°	60.0°
C14	C13	C12	H24	13.4°	60.0°
C13	C14	H25	H26	120.6°	120.1°
O4	C14	C13	H14	94.6°	60.0°
O4	C14	C13	H15	24.5°	60.0°
C14	O4	C15	H16	180.0°	180.0°
C14	O4	C15	H17	60.0°	60.0°
C14	O4	C15	H18	60.0°	60.0°
O4	C14	H25	H26	120.6°	119.9°
O4	C15	H16	H17	120.0°	120.0°
O4	C15	H16	H18	120.0°	120.0°
O4	C15	H17	H18	120.0°	119.9°
C15	O4	C14	H25	23.8°	60.0°
C15	O4	C14	H26	144.2°	60.0°
H1	N1	C5	H5	25.9°	159.0°
H1	N1	C6	H6	45.4°	176.0°
H1	N1	C6	H7	164.9°	63.9°
H3	C4	C5	H5	78.2°	60.0°
H4	C4	C5	H5	42.8°	60.0°
H5	C5	C16	H27	51.4°	60.0°
H6	C6	C7	H8	84.7°	180.0°
H6	C6	C7	H9	156.3°	60.0°
H7	C6	C7	H8	155.7°	60.0°
H7	C6	C7	H9	36.7°	180.0°
H8	C7	C8	H10	3.3°	180.0°
H8	C7	C8	H11	115.8°	60.0°
H9	C7	C8	H10	115.6°	60.1°
H9	C7	C8	H11	125.2°	180.0°
H10	C8	C9	H30	173.0°	180.0°
H10	C8	C9	H31	54.1°	60.0°
H11	C8	C9	H30	67.9°	60.0°
H11	C8	C9	H31	173.3°	180.0°
H12	C10	C11	H21	171.1°	60.0°
H12	C10	C11	H22	52.2°	NaN°
H12	C10	C9	H30	95.5°	60.0°
H12	C10	C9	H31	23.3°	180.0°
H13	C10	C11	H21	70.1°	180.0°
H13	C10	C11	H22	170.9°	60.0°
H13	C10	C9	H30	23.2°	180.0°
H13	C10	C9	H31	142.0°	60.1°
H14	C13	C12	H23	134.5°	60.0°
H14	C13	C12	H24	107.1°	180.0°
H14	C13	C14	H25	145.6°	179.9°
H14	C13	C14	H26	25.2°	60.0°
H15	C13	C12	H23	15.3°	180.0°
H15	C13	C12	H24	133.8°	60.0°
H15	C13	C14	H25	95.3°	59.9°
H15	C13	C14	H26	144.3°	180.0°
H16	C15	H17	H18	120.0°	120.0°
H19	C17	C1	H20	175.4°	180.0°
H19	C17	C16	H27	174.9°	180.0°
H19	C17	O6	H36	62.7°	60.0°
H20	C1	O1	H32	60.4°	60.0°
H21	C11	C12	H23	159.6°	60.0°
H21	C11	C12	H24	81.9°	180.0°
H22	C11	C12	H23	40.7°	180.0°
H22	C11	C12	H24	159.1°	60.0°
H27	C16	O5	H35	59.9°	59.9°
H28	C3	O2	H33	60.0°	60.0°
H29	C3	O2	H33	59.9°	60.0°

Release date:	2021-09-29
Definition date:	2020-10-02
Last modified:	2021-09-24
Release status:	REL
Processing site:	RCSB
Derived from:	7K9N