18T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3,	C3,	sing	1.43Å	1.44Å
O21	C21	doub	1.22Å	1.25Å
C2,	C1,	sing	1.55Å	1.53Å
C2,	C3,	sing	1.54Å	1.53Å
C1,	O4,	sing	1.44Å	1.44Å
C1,	N11	sing	1.47Å	1.47Å
C3,	C4,	sing	1.54Å	1.52Å
C21	N11	sing	1.35Å	1.34Å
C21	N31	sing	1.35Å	1.34Å
O4,	C4,	sing	1.44Å	1.43Å
C4,	C5,	sing	1.53Å	1.53Å
N11	C61	sing	1.37Å	1.35Å
N31	C41	sing	1.35Å	1.35Å
C61	C51	doub	1.35Å	1.39Å
C5,	O5,	sing	1.43Å	1.42Å
C41	C51	sing	1.42Å	1.49Å
C41	O41	doub	1.22Å	1.25Å
O5,	P	sing	1.61Å	1.60Å
C51	C5A	sing	1.51Å	1.51Å
O2P	P	doub	1.48Å	1.50Å
O1P	P	sing	1.61Å	1.52Å
P	OPP	sing	1.61Å	1.60Å
OPP	P2	sing	1.61Å	1.60Å
O4P	P2	doub	1.48Å	1.51Å
P2	O3P	sing	1.61Å	1.50Å
P2	O1	sing	1.61Å	1.60Å
O2	C2	sing	1.43Å	1.44Å
C1	O1	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.53Å
C1	O5	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.53Å
O5	C5	sing	1.43Å	1.43Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.44Å
C2	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
O2	H7	sing	0.97Å	0.95Å
C5A	H8	sing	1.09Å	1.10Å
C5A	H9	sing	1.09Å	1.10Å
C5A	H10	sing	1.09Å	1.10Å
C61	H11	sing	1.08Å	1.08Å
N31	H12	sing	0.97Å	1.00Å
C1,	H13	sing	1.09Å	1.10Å
C2,	H14	sing	1.09Å	1.10Å
C2,	H15	sing	1.09Å	1.10Å
C3,	H16	sing	1.09Å	1.10Å
O3,	H17	sing	0.97Å	0.95Å
C4,	H18	sing	1.09Å	1.10Å
C5,	H19	sing	1.09Å	1.10Å
C5,	H20	sing	1.09Å	1.10Å
O1P	H21	sing	0.97Å	0.95Å
O3P	H22	sing	0.97Å	0.95Å
C1	H23	sing	1.09Å	1.10Å
O3	H24	sing	0.97Å	0.95Å
C4	H25	sing	1.09Å	1.10Å
O4	H26	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3,	C3,	C2,	105.3°	110.5°
O3,	C3,	C4,	103.1°	110.5°
O3,	C3,	H16	114.5°	110.5°
C3,	O3,	H17	109.5°	114.0°
O21	C21	N11	123.6°	119.5°
O21	C21	N31	114.7°	119.6°
C1,	C2,	C3,	101.6°	104.1°
C2,	C1,	O4,	106.3°	104.8°
C2,	C1,	N11	117.5°	110.4°
C2,	C1,	H13	109.5°	110.4°
C1,	C2,	H14	111.4°	110.5°
C1,	C2,	H15	111.4°	110.5°
C2,	C3,	C4,	107.1°	104.1°
C3,	C2,	H14	111.4°	110.5°
C3,	C2,	H15	111.4°	110.5°
C2,	C3,	H16	112.9°	110.5°
O4,	C1,	N11	102.0°	110.4°
C1,	O4,	C4,	113.6°	105.3°
O4,	C1,	H13	110.8°	110.4°
C1,	N11	C21	119.1°	119.7°
C1,	N11	C61	118.3°	119.7°
N11	C1,	H13	110.4°	110.4°
C3,	C4,	O4,	103.6°	104.8°
C3,	C4,	C5,	114.4°	110.4°
C4,	C3,	H16	113.1°	110.5°
C3,	C4,	H18	108.7°	110.4°
N11	C21	N31	121.7°	120.9°
C21	N11	C61	122.5°	120.6°
C21	N31	C41	120.0°	120.3°
C21	N31	H12	120.0°	119.9°
O4,	C4,	C5,	111.5°	110.4°
O4,	C4,	H18	109.9°	110.3°
C4,	C5,	O5,	104.3°	109.5°
C5,	C4,	H18	108.6°	110.5°
C4,	C5,	H19	110.8°	109.4°
C4,	C5,	H20	110.8°	109.5°
N11	C61	C51	119.9°	119.7°
N11	C61	H11	120.1°	120.2°
N31	C41	C51	119.6°	119.4°
N31	C41	O41	119.2°	120.3°
C41	N31	H12	120.0°	119.8°
C61	C51	C41	116.2°	119.1°
C61	C51	C5A	122.8°	120.4°
C51	C61	H11	120.1°	120.1°
C5,	O5,	P	127.3°	123.0°
O5,	C5,	H19	110.8°	109.5°
O5,	C5,	H20	110.8°	109.5°
C51	C41	O41	121.2°	120.3°
C41	C51	C5A	121.0°	120.4°
O5,	P	O2P	108.8°	109.5°
O5,	P	O1P	119.2°	109.5°
O5,	P	OPP	105.3°	109.5°
C51	C5A	H8	109.5°	109.4°
C51	C5A	H9	109.4°	109.4°
C51	C5A	H10	109.5°	109.5°
O2P	P	O1P	109.3°	109.5°
O2P	P	OPP	100.8°	109.5°
O1P	P	OPP	111.8°	109.5°
P	O1P	H21	109.5°	114.0°
P	OPP	P2	127.3°	134.0°
OPP	P2	O4P	115.4°	109.5°
OPP	P2	O3P	112.6°	109.5°
OPP	P2	O1	94.7°	109.4°
O4P	P2	O3P	117.6°	109.5°
O4P	P2	O1	107.7°	109.4°
O3P	P2	O1	105.6°	109.5°
P2	O3P	H22	109.5°	114.0°
P2	O1	C1	118.9°	123.0°
O2	C2	C1	107.1°	109.6°
O2	C2	C3	112.5°	109.5°
O2	C2	H1	109.2°	109.5°
C2	O2	H7	109.5°	114.0°
O1	C1	C2	108.6°	109.4°
O1	C1	O5	109.2°	109.5°
O1	C1	H23	110.3°	109.4°
C2	C1	O5	109.5°	109.4°
C1	C2	C3	111.8°	109.2°
C1	C2	H1	108.0°	109.5°
C2	C1	H23	108.9°	109.5°
C1	O5	C5	116.3°	114.1°
O5	C1	H23	110.3°	109.5°
C2	C3	O3	109.2°	109.5°
C2	C3	C4	106.0°	109.0°
C3	C2	H1	108.0°	109.5°
C2	C3	H2	110.7°	109.5°
O5	C5	C4	108.6°	109.4°
O5	C5	C6	102.8°	109.5°
O5	C5	H3	111.5°	109.5°
O3	C3	C4	107.7°	109.6°
O3	C3	H2	112.2°	109.6°
C3	O3	H24	109.5°	114.0°
C3	C4	C5	107.8°	109.2°
C3	C4	O4	108.1°	109.5°
C4	C3	H2	110.8°	109.6°
C3	C4	H25	108.5°	109.6°
C4	C5	C6	113.6°	109.5°
C5	C4	O4	114.1°	109.5°
C4	C5	H3	110.1°	109.5°
C5	C4	H25	108.5°	109.5°
C6	C5	H3	110.1°	109.4°
C5	C6	H4	109.5°	109.5°
C5	C6	H5	109.4°	109.5°
C5	C6	H6	109.5°	109.5°
O4	C4	H25	109.7°	109.6°
C4	O4	H26	109.5°	114.0°
H4	C6	H5	109.5°	109.5°
H4	C6	H6	109.4°	109.5°
H5	C6	H6	109.5°	109.4°
H8	C5A	H9	109.5°	109.5°
H8	C5A	H10	109.5°	109.5°
H9	C5A	H10	109.5°	109.5°
H14	C2,	H15	109.5°	110.5°
H19	C5,	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3,	C3,	C2,	C1,	81.3°	118.7°
O3,	C3,	C2,	C4,	109.3°	118.7°
O3,	C3,	C2,	H16	125.6°	122.7°
O3,	C3,	C4,	H16	124.2°	122.6°
O3,	C3,	C4,	O4,	89.0°	142.6°
O3,	C3,	C4,	C5,	149.4°	98.5°
O3,	C3,	C2,	H14	37.4°	0.0°
O3,	C3,	C2,	H15	160.0°	122.7°
O3,	C3,	C4,	H18	27.9°	23.9°
O21	C21	N11	C1,	3.3°	0.8°
O21	C21	N11	N31	176.9°	179.2°
O21	C21	N11	C61	179.2°	180.0°
O21	C21	N31	C41	179.0°	179.8°
O21	C21	N31	H12	1.0°	0.3°
C1,	C2,	C3,	H14	118.7°	118.7°
C1,	C2,	C3,	H15	118.7°	118.7°
C2,	C1,	O4,	N11	123.7°	118.8°
C2,	C1,	O4,	H13	118.9°	118.9°
C2,	C1,	N11	H13	126.5°	122.3°
C1,	C2,	C3,	C4,	28.0°	0.0°
C2,	C1,	N11	C21	123.0°	61.8°
C2,	C1,	O4,	C4,	11.5°	40.5°
C2,	C1,	N11	C61	59.4°	117.4°
C1,	C2,	H14	H15	123.7°	122.6°
C1,	C2,	C3,	H16	153.1°	118.6°
C3,	C2,	C1,	O4,	23.7°	24.0°
C3,	C2,	C1,	N11	137.1°	142.8°
C2,	C3,	C4,	H16	124.9°	118.7°
C2,	C3,	C4,	O4,	21.8°	23.9°
C2,	C3,	C4,	C5,	99.8°	142.8°
C3,	C2,	C1,	H13	96.0°	94.9°
C3,	C2,	H14	H15	123.7°	122.7°
C2,	C3,	O3,	H17	180.0°	61.5°
C2,	C3,	C4,	H18	138.7°	94.8°
O4,	C1,	N11	H13	117.7°	122.3°
C1,	O4,	C4,	C3,	6.4°	40.5°
O4,	C1,	N11	C21	121.3°	53.6°
C1,	O4,	C4,	C5,	117.1°	159.3°
O4,	C1,	N11	C61	56.3°	127.2°
O4,	C1,	C2,	H14	142.4°	142.6°
O4,	C1,	C2,	H15	95.0°	94.7°
C1,	O4,	C4,	H18	122.4°	78.3°
C1,	N11	C21	C61	177.5°	179.2°
C1,	N11	C21	N31	179.8°	180.0°
N11	C1,	O4,	C4,	135.1°	159.3°
C1,	N11	C61	C51	178.0°	179.7°
C1,	N11	C61	H11	2.0°	0.3°
N11	C1,	C2,	H14	104.2°	98.5°
N11	C1,	C2,	H15	18.4°	24.1°
C3,	C4,	O4,	C5,	123.5°	118.9°
C3,	C4,	O4,	H18	116.0°	118.8°
C3,	C4,	C5,	H18	121.5°	122.4°
C3,	C4,	C5,	O5,	37.5°	178.2°
C4,	C3,	C2,	H14	146.7°	118.7°
C4,	C3,	C2,	H15	90.7°	118.7°
C4,	C3,	O3,	H17	67.8°	176.1°
C3,	C4,	C5,	H19	156.6°	58.2°
C3,	C4,	C5,	H20	81.7°	61.8°
N11	C21	N31	C41	3.8°	0.6°
C21	N11	C61	C51	0.6°	0.5°
C21	N11	C61	H11	179.5°	179.5°
N11	C21	N31	H12	176.1°	179.5°
C21	N11	C1,	H13	3.5°	175.8°
N31	C21	N11	C61	2.3°	0.8°
C21	N31	C41	H12	180.0°	179.9°
C21	N31	C41	C51	3.6°	0.1°
C21	N31	C41	O41	177.6°	179.7°
O4,	C4,	C5,	H18	121.3°	122.3°
O4,	C4,	C5,	O5,	79.7°	66.5°
C4,	O4,	C1,	H13	107.4°	78.4°
O4,	C4,	C3,	H16	146.8°	94.7°
O4,	C4,	C5,	H19	39.5°	173.6°
O4,	C4,	C5,	H20	161.1°	53.6°
C4,	C5,	O5,	H19	119.2°	120.0°
C4,	C5,	O5,	H20	119.2°	120.0°
C4,	C5,	O5,	P	135.3°	180.0°
C5,	C4,	C3,	H16	25.2°	24.1°
C4,	C5,	H19	H20	122.4°	120.0°
N11	C61	C51	H11	180.0°	180.0°
N11	C61	C51	C41	0.3°	0.0°
N11	C61	C51	C5A	179.6°	180.0°
C61	N11	C1,	H13	174.1°	5.0°
N31	C41	C51	C61	1.8°	0.2°
N31	C41	C51	O41	178.8°	179.8°
N31	C41	C51	C5A	178.8°	179.8°
C61	C51	C41	C5A	179.3°	180.0°
C61	C51	C41	O41	179.3°	180.0°
C61	C51	C5A	H8	180.0°	180.0°
C61	C51	C5A	H9	60.0°	60.0°
C61	C51	C5A	H10	60.0°	60.0°
C5,	O5,	P	O2P	155.5°	55.0°
C5,	O5,	P	O1P	29.3°	65.0°
C5,	O5,	P	OPP	97.1°	175.0°
O5,	C5,	C4,	H18	159.0°	55.8°
O5,	C5,	H19	H20	122.4°	120.0°
C41	C51	C5A	H8	0.7°	0.0°
C41	C51	C5A	H9	119.3°	120.0°
C41	C51	C5A	H10	120.7°	120.0°
C41	C51	C61	H11	179.7°	180.0°
C51	C41	N31	H12	176.4°	180.0°
O41	C41	C51	C5A	0.0°	0.1°
O41	C41	N31	H12	2.4°	0.2°
O5,	P	O2P	O1P	131.7°	120.0°
O5,	P	O2P	OPP	110.4°	120.0°
O5,	P	O1P	OPP	123.3°	120.0°
O5,	P	OPP	P2	105.3°	160.0°
P	O5,	C5,	H19	105.5°	60.0°
P	O5,	C5,	H20	16.2°	60.0°
O5,	P	O1P	H21	125.9°	60.0°
C51	C5A	H8	H9	120.0°	120.0°
C51	C5A	H8	H10	120.0°	120.0°
C51	C5A	H9	H10	120.0°	120.0°
C5A	C51	C61	H11	0.4°	0.0°
O2P	P	O1P	OPP	110.8°	120.0°
O2P	P	OPP	P2	141.5°	40.0°
O2P	P	O1P	H21	0.0°	180.0°
O1P	P	OPP	P2	25.5°	80.0°
P	OPP	P2	O4P	68.4°	40.0°
P	OPP	P2	O3P	70.5°	80.0°
P	OPP	P2	O1	179.5°	160.0°
OPP	P	O1P	H21	110.8°	60.0°
OPP	P2	O4P	O3P	136.7°	120.1°
OPP	P2	O4P	O1	104.3°	119.9°
OPP	P2	O3P	O1	102.0°	120.0°
OPP	P2	O1	C1	72.0°	175.0°
OPP	P2	O3P	H22	137.9°	59.9°
O4P	P2	O3P	O1	120.1°	120.0°
O4P	P2	O1	C1	46.6°	55.1°
O4P	P2	O3P	H22	0.0°	180.0°
O3P	P2	O1	C1	173.0°	65.0°
P2	O1	C1	C2	140.4°	150.0°
P2	O1	C1	O5	100.2°	90.0°
O1	P2	O3P	H22	120.1°	60.0°
P2	O1	C1	H23	21.1°	30.0°
O2	C2	C1	O1	57.3°	57.6°
O2	C2	C1	C3	123.7°	120.0°
O2	C2	C1	H1	117.6°	120.1°
O2	C2	C1	O5	176.5°	177.6°
O2	C2	C3	H1	120.7°	120.2°
O2	C2	C3	O3	64.8°	63.2°
O2	C2	C3	C4	179.4°	176.9°
O2	C2	C3	H2	59.2°	57.0°
O2	C2	C1	H23	62.9°	62.4°
O1	C1	C2	O5	119.2°	120.0°
O1	C1	C2	H23	120.2°	120.0°
O1	C1	O5	H23	121.4°	120.0°
O1	C1	C2	C3	66.4°	62.4°
O1	C1	O5	C5	65.1°	58.8°
O1	C1	C2	H1	174.9°	177.7°
C2	C1	O5	H23	119.9°	120.0°
C1	C2	C3	H1	118.7°	119.8°
C2	C1	O5	C5	53.7°	61.1°
C1	C2	C3	O3	174.5°	176.8°
C1	C2	C3	C4	58.8°	57.0°
C1	C2	C3	H2	61.4°	63.0°
C1	C2	O2	H7	180.0°	60.2°
O5	C1	C2	C3	52.7°	57.6°
C1	O5	C5	C4	59.5°	61.1°
C1	O5	C5	C6	179.9°	178.9°
O5	C1	C2	H1	66.0°	62.3°
C1	O5	C5	H3	62.0°	58.9°
C2	C3	O3	C4	114.7°	119.5°
C2	C3	O3	H2	123.2°	120.1°
C2	C3	C4	H2	120.2°	119.9°
C2	C3	C4	C5	62.8°	57.0°
C2	C3	C4	O4	173.4°	176.9°
C3	C2	O2	H7	56.7°	180.0°
C3	C2	C1	H23	173.4°	177.6°
C2	C3	O3	H24	180.0°	60.0°
C2	C3	C4	H25	54.6°	62.9°
O5	C5	C4	C3	62.8°	57.6°
O5	C5	C4	C6	113.7°	120.0°
O5	C5	C4	H3	122.4°	120.0°
O5	C5	C6	H3	118.9°	120.1°
O5	C5	C4	O4	177.2°	177.5°
O5	C5	C6	H4	180.0°	60.0°
O5	C5	C6	H5	60.0°	60.1°
O5	C5	C6	H6	60.0°	180.0°
C5	O5	C1	H23	173.5°	178.8°
O5	C5	C4	H25	54.6°	62.3°
O3	C3	C4	H2	123.0°	120.3°
O3	C3	C4	C5	179.6°	176.8°
O3	C3	C4	O4	56.6°	63.3°
O3	C3	C2	H1	55.8°	57.0°
O3	C3	C4	H25	62.2°	56.9°
C3	C4	C5	O4	120.0°	119.9°
C3	C4	C5	H25	117.4°	119.9°
C3	C4	C5	C6	176.5°	177.6°
C3	C4	O4	H25	118.1°	120.2°
C4	C3	C2	H1	59.9°	62.9°
C3	C4	C5	H3	59.6°	62.4°
C4	C3	O3	H24	65.3°	179.5°
C3	C4	O4	H26	180.0°	180.0°
C4	C5	C6	H3	124.0°	120.0°
C5	C4	O4	H25	122.0°	120.1°
C5	C4	C3	H2	57.4°	62.9°
C4	C5	C6	H4	62.9°	60.0°
C4	C5	C6	H5	57.1°	180.0°
C4	C5	C6	H6	177.1°	60.0°
C5	C4	O4	H26	60.1°	60.3°
C6	C5	C4	O4	63.5°	62.5°
C5	C6	H4	H5	120.0°	120.0°
C5	C6	H4	H6	120.0°	120.0°
C5	C6	H5	H6	120.0°	120.0°
C6	C5	C4	H25	59.1°	57.7°
O4	C4	C3	H2	66.4°	57.0°
O4	C4	C5	H3	60.4°	57.5°
H1	C2	C3	H2	179.9°	177.2°
H1	C2	O2	H7	63.3°	59.9°
H1	C2	C1	H23	54.7°	57.7°
H2	C3	O3	H24	56.8°	60.2°
H2	C3	C4	H25	174.8°	177.2°
H3	C5	C6	H4	61.1°	180.0°
H3	C5	C6	H5	178.9°	60.0°
H3	C5	C6	H6	58.9°	60.0°
H3	C5	C4	H25	176.9°	177.6°
H4	C6	H5	H6	120.0°	120.0°
H8	C5A	H9	H10	120.0°	120.1°
H13	C1,	C2,	H14	22.7°	23.8°
H13	C1,	C2,	H15	145.3°	146.4°
H14	C2,	C3,	H16	88.2°	122.7°
H15	C2,	C3,	H16	34.4°	0.0°
H16	C3,	O3,	H17	55.4°	61.2°
H16	C3,	C4,	H18	96.3°	146.5°
H18	C4,	C5,	H19	81.8°	64.2°
H18	C4,	C5,	H20	39.8°	175.9°
H25	C4	O4	H26	61.9°	59.9°

Definition date:	2012-11-05
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	4HMZ