T46

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3,	C3,	sing	1.43Å	1.41Å
C3,	C2,	sing	1.54Å	1.52Å
C3,	C4,	sing	1.54Å	1.51Å
O1P	P	doub	1.48Å	1.51Å
C2,	C1,	sing	1.54Å	1.52Å
C4,	C5,	sing	1.53Å	1.52Å
C4,	O4,	sing	1.44Å	1.43Å
C5,	O5,	sing	1.43Å	1.41Å
O5,	P	sing	1.61Å	1.59Å
P	O2P	sing	1.61Å	1.48Å
P	OPP	sing	1.61Å	1.61Å
C1,	O4,	sing	1.44Å	1.44Å
C1,	N11	sing	1.47Å	1.46Å
O3P	P2	doub	1.48Å	1.52Å
O21	C21	doub	1.22Å	1.24Å
N11	C21	sing	1.34Å	1.34Å
N11	C61	sing	1.37Å	1.34Å
OPP	P2	sing	1.61Å	1.61Å
C21	N31	sing	1.35Å	1.34Å
P2	O1	sing	1.61Å	1.62Å
P2	O4P	sing	1.61Å	1.50Å
C61	C51	doub	1.35Å	1.39Å
O2	C2	sing	1.43Å	1.44Å
O1	C1	sing	1.43Å	1.44Å
N31	C41	sing	1.35Å	1.34Å
C51	C41	sing	1.42Å	1.39Å
C51	C5A	sing	1.51Å	1.50Å
C41	O41	doub	1.22Å	1.25Å
C3	C2	sing	1.53Å	1.52Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.51Å	1.50Å
C2	C1	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.42Å
C4	C5	sing	1.51Å	1.51Å
C4	O4	doub	1.21Å	1.24Å
O5	C5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.51Å
C5	H1	sing	1.09Å	1.10Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
N31	H5	sing	0.97Å	1.00Å
C5A	H6	sing	1.09Å	1.10Å
C5A	H7	sing	1.09Å	1.10Å
C5A	H8	sing	1.09Å	1.10Å
C61	H9	sing	1.08Å	1.08Å
C1,	H10	sing	1.09Å	1.10Å
C2,	H11	sing	1.09Å	1.10Å
C2,	H12	sing	1.09Å	1.10Å
C3,	H13	sing	1.09Å	1.10Å
O3,	H14	sing	0.97Å	0.95Å
C4,	H15	sing	1.09Å	1.10Å
C5,	H16	sing	1.09Å	1.10Å
C5,	H17	sing	1.09Å	1.10Å
O2P	H18	sing	0.97Å	0.95Å
O4P	H19	sing	0.97Å	0.95Å
C1	H20	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
O2	H22	sing	0.97Å	0.95Å
C3	H23	sing	1.09Å	1.10Å
O3	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3,	C3,	C2,	107.6°	110.5°
O3,	C3,	C4,	105.5°	110.5°
O3,	C3,	H13	113.4°	110.6°
C3,	O3,	H14	109.5°	114.0°
C2,	C3,	C4,	106.4°	104.0°
C3,	C2,	C1,	100.0°	104.1°
C3,	C2,	H11	111.8°	110.5°
C3,	C2,	H12	111.8°	110.7°
C2,	C3,	H13	111.7°	110.5°
C3,	C4,	C5,	111.9°	110.4°
C3,	C4,	O4,	105.9°	104.8°
C4,	C3,	H13	111.8°	110.5°
C3,	C4,	H15	109.2°	110.4°
O1P	P	O5,	110.7°	109.4°
O1P	P	O2P	115.4°	109.5°
O1P	P	OPP	107.9°	109.5°
C2,	C1,	O4,	106.4°	104.7°
C2,	C1,	N11	115.9°	110.3°
C2,	C1,	H10	108.7°	110.5°
C1,	C2,	H11	111.8°	110.5°
C1,	C2,	H12	111.8°	110.5°
C5,	C4,	O4,	110.4°	110.4°
C4,	C5,	O5,	106.7°	109.5°
C5,	C4,	H15	109.1°	110.3°
C4,	C5,	H16	110.2°	109.5°
C4,	C5,	H17	110.2°	109.4°
C4,	O4,	C1,	109.5°	105.3°
O4,	C4,	H15	110.3°	110.5°
C5,	O5,	P	120.1°	123.0°
O5,	C5,	H16	110.2°	109.5°
O5,	C5,	H17	110.2°	109.4°
O5,	P	O2P	107.7°	109.5°
O5,	P	OPP	102.2°	109.5°
O2P	P	OPP	112.1°	109.5°
P	O2P	H18	109.5°	114.0°
P	OPP	P2	125.0°	134.0°
O4,	C1,	N11	106.7°	110.4°
O4,	C1,	H10	109.7°	110.4°
C1,	N11	C21	120.4°	119.7°
C1,	N11	C61	119.0°	119.7°
N11	C1,	H10	109.4°	110.4°
O3P	P2	OPP	108.8°	109.5°
O3P	P2	O1	109.6°	109.5°
O3P	P2	O4P	118.3°	109.4°
O21	C21	N11	121.8°	119.6°
O21	C21	N31	117.6°	119.5°
C21	N11	C61	120.4°	120.6°
N11	C21	N31	120.5°	120.9°
N11	C61	C51	120.1°	119.7°
N11	C61	H9	119.9°	120.2°
OPP	P2	O1	102.0°	109.5°
OPP	P2	O4P	107.0°	109.5°
C21	N31	C41	121.3°	120.3°
C21	N31	H5	119.3°	119.8°
O1	P2	O4P	109.8°	109.5°
P2	O1	C1	118.2°	123.0°
P2	O4P	H19	109.5°	114.0°
C61	C51	C41	118.6°	119.1°
C61	C51	C5A	121.3°	120.5°
C51	C61	H9	120.0°	120.1°
O2	C2	C3	109.9°	109.3°
O2	C2	C1	105.5°	109.5°
O2	C2	H21	110.8°	109.5°
C2	O2	H22	109.5°	114.0°
O1	C1	C2	111.0°	109.6°
O1	C1	O5	109.9°	109.5°
O1	C1	H20	108.2°	109.4°
N31	C41	C51	119.1°	119.4°
N31	C41	O41	119.7°	120.3°
C41	N31	H5	119.4°	119.9°
C41	C51	C5A	120.0°	120.4°
C51	C41	O41	121.2°	120.3°
C51	C5A	H6	109.5°	109.5°
C51	C5A	H7	109.5°	109.5°
C51	C5A	H8	109.5°	109.5°
C2	C3	O3	113.6°	109.7°
C2	C3	C4	112.3°	108.0°
C3	C2	C1	111.6°	109.2°
C3	C2	H21	109.6°	109.7°
C2	C3	H23	106.5°	109.8°
O3	C3	C4	109.6°	109.8°
O3	C3	H23	107.7°	109.8°
C3	O3	H24	109.5°	113.9°
C3	C4	C5	119.4°	117.8°
C3	C4	O4	119.2°	121.1°
C4	C3	H23	106.8°	109.8°
C2	C1	O5	112.0°	110.1°
C2	C1	H20	107.1°	108.9°
C1	C2	H21	109.4°	109.6°
C1	O5	C5	114.3°	114.1°
O5	C1	H20	108.6°	109.4°
C5	C4	O4	121.3°	121.1°
C4	C5	O5	114.0°	108.3°
C4	C5	C6	108.8°	109.7°
C4	C5	H1	107.7°	109.7°
O5	C5	C6	109.6°	109.7°
O5	C5	H1	108.7°	109.7°
C6	C5	H1	107.8°	109.7°
C5	C6	H2	109.5°	109.5°
C5	C6	H3	109.4°	109.5°
C5	C6	H4	109.5°	109.5°
H2	C6	H3	109.5°	109.4°
H2	C6	H4	109.5°	109.5°
H3	C6	H4	109.5°	109.5°
H6	C5A	H7	109.4°	109.5°
H6	C5A	H8	109.5°	109.5°
H7	C5A	H8	109.5°	109.4°
H11	C2,	H12	109.5°	110.4°
H16	C5,	H17	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3,	C3,	C2,	C4,	112.7°	118.6°
O3,	C3,	C2,	H13	125.1°	122.8°
O3,	C3,	C4,	H13	123.8°	122.7°
O3,	C3,	C2,	C1,	82.3°	118.6°
O3,	C3,	C4,	C5,	142.5°	98.6°
O3,	C3,	C4,	O4,	97.2°	142.6°
O3,	C3,	C2,	H11	159.2°	0.1°
O3,	C3,	C2,	H12	36.2°	122.7°
O3,	C3,	C4,	H15	21.6°	23.6°
C2,	C3,	C4,	H13	122.2°	118.7°
C3,	C2,	C1,	H11	118.4°	118.6°
C3,	C2,	C1,	H12	118.4°	118.8°
C2,	C3,	C4,	C5,	103.4°	142.8°
C2,	C3,	C4,	O4,	16.9°	24.0°
C3,	C2,	C1,	O4,	33.7°	24.0°
C3,	C2,	C1,	N11	152.1°	142.8°
C3,	C2,	C1,	H10	84.4°	94.9°
C3,	C2,	H11	H12	124.4°	122.7°
C2,	C3,	O3,	H14	180.0°	61.5°
C2,	C3,	C4,	H15	135.7°	95.0°
C4,	C3,	C2,	C1,	30.4°	0.0°
C3,	C4,	C5,	O4,	117.7°	115.4°
C3,	C4,	C5,	H15	120.9°	122.2°
C3,	C4,	O4,	H15	118.0°	118.9°
C3,	C4,	C5,	O5,	46.9°	175.0°
C3,	C4,	O4,	C1,	5.1°	40.6°
C4,	C3,	C2,	H11	88.1°	118.6°
C4,	C3,	C2,	H12	148.8°	118.8°
C4,	C3,	O3,	H14	66.7°	176.1°
C3,	C4,	C5,	H16	166.4°	55.0°
C3,	C4,	C5,	H17	72.7°	65.0°
O1P	P	O5,	C5,	47.5°	55.0°
O1P	P	O5,	O2P	127.0°	120.0°
O1P	P	O5,	OPP	114.7°	120.0°
O1P	P	O2P	OPP	124.0°	120.0°
O1P	P	OPP	P2	66.2°	45.0°
O1P	P	O2P	H18	0.0°	180.0°
C2,	C1,	O4,	C4,	25.2°	40.6°
C2,	C1,	O4,	N11	124.2°	118.8°
C2,	C1,	O4,	H10	117.4°	118.9°
C2,	C1,	N11	H10	123.2°	122.4°
C2,	C1,	N11	C21	113.2°	61.8°
C2,	C1,	N11	C61	70.7°	118.8°
C1,	C2,	H11	H12	124.4°	122.6°
C1,	C2,	C3,	H13	152.7°	118.6°
C5,	C4,	O4,	H15	120.6°	122.3°
C4,	C5,	O5,	H16	119.6°	120.0°
C4,	C5,	O5,	H17	119.6°	119.9°
C4,	C5,	O5,	P	162.9°	180.0°
C5,	C4,	O4,	C1,	126.4°	159.4°
C5,	C4,	C3,	H13	18.7°	24.2°
C4,	C5,	H16	H17	121.3°	120.0°
O4,	C4,	C5,	O5,	70.9°	69.6°
C4,	O4,	C1,	N11	149.5°	159.3°
C4,	O4,	C1,	H10	92.1°	78.4°
O4,	C4,	C3,	H13	139.1°	94.6°
O4,	C4,	C5,	H16	48.7°	170.4°
O4,	C4,	C5,	H17	169.6°	50.3°
C5,	O5,	P	O2P	174.5°	65.0°
C5,	O5,	P	OPP	67.2°	175.0°
O5,	C5,	C4,	H15	167.8°	52.8°
O5,	C5,	H16	H17	121.3°	120.0°
O5,	P	O2P	OPP	111.7°	120.0°
O5,	P	OPP	P2	177.1°	165.0°
P	O5,	C5,	H16	77.5°	60.0°
P	O5,	C5,	H17	43.3°	60.0°
O5,	P	O2P	H18	124.3°	60.0°
O2P	P	OPP	P2	62.0°	75.0°
P	OPP	P2	O3P	39.8°	45.0°
P	OPP	P2	O1	75.9°	165.0°
P	OPP	P2	O4P	168.8°	75.0°
OPP	P	O2P	H18	124.0°	60.0°
O4,	C1,	N11	H10	118.6°	122.3°
O4,	C1,	N11	C21	128.6°	53.4°
O4,	C1,	N11	C61	47.5°	125.9°
O4,	C1,	C2,	H11	84.7°	142.6°
O4,	C1,	C2,	H12	152.1°	94.8°
C1,	O4,	C4,	H15	112.9°	78.3°
C1,	N11	C21	O21	2.0°	0.3°
C1,	N11	C21	C61	176.1°	179.4°
C1,	N11	C21	N31	177.2°	180.0°
C1,	N11	C61	C51	178.0°	180.0°
C1,	N11	C61	H9	2.1°	0.3°
N11	C1,	C2,	H11	33.6°	98.6°
N11	C1,	C2,	H12	89.5°	23.9°
O3P	P2	OPP	O1	115.7°	120.0°
O3P	P2	OPP	O4P	129.0°	120.0°
O3P	P2	O1	O4P	131.5°	120.0°
O3P	P2	O1	C1	173.4°	54.9°
O3P	P2	O4P	H19	0.0°	179.9°
O21	C21	N11	N31	179.2°	179.7°
O21	C21	N11	C61	178.1°	179.7°
O21	C21	N31	C41	180.0°	180.0°
O21	C21	N31	H5	0.0°	0.1°
C21	N11	C61	C51	1.8°	0.7°
N11	C21	N31	C41	0.8°	0.4°
N11	C21	N31	H5	179.2°	179.8°
C21	N11	C61	H9	178.2°	179.7°
C21	N11	C1,	H10	10.0°	175.8°
C61	N11	C21	N31	1.1°	0.7°
N11	C61	C51	H9	180.0°	179.6°
N11	C61	C51	C41	0.7°	0.4°
N11	C61	C51	C5A	179.0°	179.7°
C61	N11	C1,	H10	166.1°	3.6°
OPP	P2	O1	O4P	113.3°	120.0°
OPP	P2	O1	C1	71.4°	174.9°
OPP	P2	O4P	H19	123.3°	60.0°
C21	N31	C41	H5	180.0°	179.9°
C21	N31	C41	C51	1.9°	0.1°
C21	N31	C41	O41	179.7°	180.0°
P2	O1	C1	C2	133.7°	149.2°
P2	O1	C1	O5	101.9°	89.9°
O1	P2	O4P	H19	126.7°	60.0°
P2	O1	C1	H20	16.5°	29.9°
O4P	P2	O1	C1	41.9°	65.1°
C61	C51	C41	N31	1.1°	0.1°
C61	C51	C41	C5A	179.7°	179.9°
C61	C51	C41	O41	179.5°	180.0°
C61	C51	C5A	H6	180.0°	180.0°
C61	C51	C5A	H7	60.0°	60.0°
C61	C51	C5A	H8	60.0°	60.0°
O2	C2	C1	O1	53.0°	61.6°
O2	C2	C3	C1	116.7°	119.8°
O2	C2	C3	H21	122.0°	120.1°
O2	C2	C3	O3	76.3°	172.1°
O2	C2	C3	C4	158.7°	68.3°
O2	C2	C1	H21	119.3°	120.2°
O2	C2	C1	O5	176.1°	58.9°
O2	C2	C1	H20	65.0°	178.8°
O2	C2	C3	H23	42.1°	51.3°
O1	C1	C2	C3	66.4°	178.8°
O1	C1	C2	O5	123.2°	120.5°
O1	C1	C2	H20	117.9°	119.6°
O1	C1	O5	H20	118.2°	119.8°
O1	C1	O5	C5	64.5°	175.1°
O1	C1	C2	H21	172.2°	58.6°
N31	C41	C51	O41	178.4°	179.8°
N31	C41	C51	C5A	179.2°	179.9°
C51	C41	N31	H5	178.1°	180.0°
C41	C51	C5A	H6	0.4°	0.1°
C41	C51	C5A	H7	120.3°	120.1°
C41	C51	C5A	H8	119.7°	120.0°
C41	C51	C61	H9	179.3°	180.0°
C5A	C51	C41	O41	0.8°	0.1°
C51	C5A	H6	H7	120.0°	120.0°
C51	C5A	H6	H8	120.0°	120.0°
C51	C5A	H7	H8	120.0°	120.0°
C5A	C51	C61	H9	1.0°	0.1°
O41	C41	N31	H5	0.2°	0.2°
C2	C3	O3	C4	126.5°	118.5°
C2	C3	O3	H23	117.7°	120.8°
C2	C3	C4	H23	116.4°	119.7°
C3	C2	C1	H21	121.4°	120.2°
C3	C2	C1	O5	56.8°	60.8°
C2	C3	C4	C5	32.0°	48.4°
C2	C3	C4	O4	152.3°	131.9°
C3	C2	C1	H20	175.7°	59.2°
C3	C2	O2	H22	180.0°	60.3°
C2	C3	O3	H24	137.7°	180.0°
O3	C3	C4	H23	116.4°	120.7°
O3	C3	C2	C1	167.0°	68.1°
O3	C3	C4	C5	159.2°	71.1°
O3	C3	C4	O4	25.1°	108.6°
O3	C3	C2	H21	45.8°	52.0°
C4	C3	C2	C1	42.0°	51.5°
C3	C4	C5	O4	175.6°	179.7°
C3	C4	C5	O5	33.1°	48.9°
C3	C4	C5	C6	155.8°	70.8°
C3	C4	C5	H1	87.6°	168.6°
C4	C3	C2	H21	79.3°	171.6°
C4	C3	O3	H24	11.2°	61.5°
C2	C1	O5	H20	118.0°	119.6°
C2	C1	O5	C5	59.3°	64.4°
C1	C2	O2	H22	59.5°	179.9°
C1	C2	C3	H23	74.6°	171.1°
C1	O5	C5	C4	46.4°	55.6°
C1	O5	C5	C6	168.7°	64.2°
C1	O5	C5	H1	73.8°	175.3°
O5	C1	C2	H21	64.6°	179.1°
C4	C5	O5	C6	122.3°	119.7°
C4	C5	O5	H1	120.2°	119.7°
C4	C5	C6	H1	116.5°	120.6°
C4	C5	C6	H2	180.0°	60.0°
C4	C5	C6	H3	60.0°	180.0°
C4	C5	C6	H4	60.0°	60.0°
C5	C4	C3	H23	84.4°	168.1°
O4	C4	C5	O5	151.2°	131.4°
O4	C4	C5	C6	28.5°	108.9°
O4	C4	C5	H1	88.1°	11.7°
O4	C4	C3	H23	91.3°	12.2°
O5	C5	C6	H1	118.1°	120.5°
O5	C5	C6	H2	54.7°	58.9°
O5	C5	C6	H3	174.7°	61.1°
O5	C5	C6	H4	65.3°	178.9°
C5	O5	C1	H20	177.3°	55.3°
C5	C6	H2	H3	120.0°	120.0°
C5	C6	H2	H4	120.0°	120.0°
C5	C6	H3	H4	120.0°	120.0°
H1	C5	C6	H2	63.5°	179.4°
H1	C5	C6	H3	56.5°	59.5°
H1	C5	C6	H4	176.6°	60.6°
H2	C6	H3	H4	120.0°	120.0°
H6	C5A	H7	H8	120.0°	120.0°
H10	C1,	C2,	H11	157.2°	23.7°
H10	C1,	C2,	H12	34.1°	146.3°
H11	C2,	C3,	H13	34.2°	122.7°
H12	C2,	C3,	H13	88.9°	0.1°
H13	C3,	O3,	H14	56.0°	61.2°
H13	C3,	C4,	H15	102.2°	146.3°
H15	C4,	C5,	H16	72.6°	67.2°
H15	C4,	C5,	H17	48.2°	172.7°
H20	C1	C2	H21	54.3°	61.0°
H21	C2	O2	H22	58.8°	59.9°
H21	C2	C3	H23	164.1°	68.7°
H23	C3	O3	H24	104.6°	59.3°

Release date:	2014-04-09
Definition date:	2014-01-08
Last modified:	2014-04-04
Release status:	REL
Processing site:	RCSB
Derived from:	4O9G