Q06

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	P	sing	1.61Å	1.44Å
P	O	doub	1.48Å	1.58Å
P	O1	sing	1.61Å	1.55Å
P	C	sing	1.82Å	1.79Å
C	N	sing	1.47Å	1.46Å
C	C1	sing	1.53Å	1.48Å
C1	C2	sing	1.53Å	1.43Å
C2	C3	sing	1.53Å	1.46Å
C3	C7	sing	1.54Å	1.52Å
C3	C4	sing	1.55Å	1.51Å
C7	C6	sing	1.54Å	1.51Å
C6	C5	sing	1.54Å	1.52Å
C5	C4	sing	1.55Å	1.51Å
O2	H1	sing	0.97Å	0.95Å
O1	H3	sing	0.97Å	0.95Å
C	H4	sing	1.09Å	1.10Å
N	H5	sing	1.01Å	1.00Å
N	H6	sing	1.01Å	1.00Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C6	H15	sing	1.09Å	1.10Å
C5	H16	sing	1.09Å	1.10Å
C5	H17	sing	1.09Å	1.10Å
C4	H18	sing	1.09Å	1.10Å
C4	H19	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	P	O	109.7°	109.5°
O2	P	O1	106.6°	109.4°
O2	P	C	108.2°	109.5°
P	O2	H1	109.5°	114.0°
O	P	O1	112.2°	109.5°
O	P	C	114.2°	109.5°
O1	P	C	105.5°	109.5°
P	O1	H3	109.5°	114.1°
P	C	N	114.9°	109.4°
P	C	C1	85.5°	109.5°
P	C	H4	107.8°	109.5°
N	C	C1	121.7°	109.5°
N	C	H4	112.0°	109.4°
C	N	H5	109.5°	111.0°
C	N	H6	109.5°	111.0°
C	C1	C2	112.2°	109.4°
C1	C	H4	111.7°	109.5°
C	C1	H8	108.8°	109.5°
C	C1	H2	108.8°	109.5°
C1	C2	C3	105.2°	109.4°
C2	C1	H8	108.8°	109.5°
C1	C2	H9	110.5°	109.4°
C1	C2	H10	110.5°	109.5°
C2	C1	H2	108.8°	109.5°
C2	C3	C7	118.5°	110.4°
C2	C3	C4	102.1°	110.5°
C3	C2	H9	110.6°	109.5°
C3	C2	H10	110.5°	109.5°
C2	C3	H11	111.4°	110.5°
C7	C3	C4	102.8°	104.2°
C3	C7	C6	103.2°	106.6°
C7	C3	H11	110.5°	110.5°
C3	C7	H12	111.0°	110.1°
C3	C7	H13	111.0°	110.0°
C3	C4	C5	102.6°	102.8°
C4	C3	H11	110.7°	110.6°
C3	C4	H18	111.2°	110.7°
C3	C4	H19	111.1°	110.7°
C7	C6	C5	104.8°	106.6°
C6	C7	H12	111.0°	110.0°
C6	C7	H13	111.0°	110.0°
C7	C6	H14	110.6°	110.0°
C7	C6	H15	110.6°	110.1°
C6	C5	C4	107.9°	104.2°
C5	C6	H14	110.7°	110.0°
C5	C6	H15	110.6°	110.1°
C6	C5	H16	109.9°	110.5°
C6	C5	H17	109.9°	110.4°
C4	C5	H16	109.8°	110.5°
C4	C5	H17	109.9°	110.5°
C5	C4	H18	111.1°	110.8°
C5	C4	H19	111.2°	110.8°
H5	N	H6	109.5°	111.1°
H8	C1	H2	109.5°	109.5°
H9	C2	H10	109.5°	109.5°
H12	C7	H13	109.5°	110.0°
H14	C6	H15	109.5°	110.0°
H16	C5	H17	109.5°	110.6°
H18	C4	H19	109.5°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	P	O	O1	118.3°	120.0°
O2	P	O	C	121.7°	120.0°
O2	P	O1	C	114.9°	120.0°
O2	P	C	N	59.2°	55.0°
O2	P	C	C1	177.8°	175.0°
O2	P	O1	H3	120.2°	60.0°
O2	P	C	H4	66.4°	64.9°
O	P	O1	C	125.0°	120.0°
O	P	C	N	63.4°	65.0°
O	P	C	C1	59.6°	55.0°
O	P	O2	H1	0.0°	179.9°
O	P	O1	H3	0.0°	60.0°
O	P	C	H4	171.0°	175.1°
O1	P	C	N	172.9°	175.0°
O1	P	C	C1	64.1°	65.0°
O1	P	O2	H1	121.8°	60.0°
O1	P	C	H4	47.3°	55.0°
P	C	N	C1	100.7°	120.0°
P	C	N	H4	123.4°	120.0°
P	C	C1	H4	107.4°	120.0°
P	C	C1	C2	130.0°	60.0°
C	P	O2	H1	125.2°	60.0°
C	P	O1	H3	125.0°	180.0°
P	C	N	H5	180.0°	64.0°
P	C	N	H6	60.0°	60.0°
P	C	C1	H8	9.5°	180.0°
P	C	C1	H2	109.7°	60.0°
N	C	C1	H4	136.0°	120.0°
N	C	C1	C2	13.4°	180.0°
C	N	H5	H6	120.0°	124.0°
N	C	C1	H8	107.1°	60.0°
N	C	C1	H2	133.7°	60.0°
C	C1	C2	H8	120.4°	120.0°
C	C1	C2	H2	120.4°	120.0°
C	C1	C2	C3	91.2°	180.0°
C1	C	N	H5	79.3°	176.0°
C1	C	N	H6	160.7°	60.0°
C	C1	H8	H2	118.7°	120.0°
C	C1	C2	H9	28.1°	60.0°
C	C1	C2	H10	149.4°	60.0°
C1	C2	C3	H9	119.3°	120.0°
C1	C2	C3	H10	119.3°	120.0°
C1	C2	C3	C7	33.1°	175.0°
C1	C2	C3	C4	145.1°	70.2°
C2	C1	C	H4	122.7°	60.0°
C2	C1	H8	H2	118.7°	120.0°
C1	C2	H9	H10	122.0°	120.0°
C1	C2	C3	H11	96.7°	52.5°
C2	C3	C7	C4	111.6°	118.7°
C2	C3	C7	H11	130.2°	122.5°
C2	C3	C4	H11	118.7°	122.6°
C2	C3	C7	C6	153.9°	142.3°
C2	C3	C4	C5	163.6°	156.6°
C3	C2	C1	H8	148.3°	60.0°
C3	C2	H9	H10	122.0°	120.0°
C2	C3	C7	H12	34.9°	23.0°
C2	C3	C7	H13	87.1°	98.4°
C2	C3	C4	H18	77.5°	85.1°
C2	C3	C4	H19	44.7°	38.3°
C3	C2	C1	H2	29.1°	60.0°
C7	C3	C4	H11	118.1°	118.7°
C3	C7	C6	H12	119.0°	119.3°
C3	C7	C6	H13	119.0°	119.3°
C3	C7	C6	C5	27.2°	0.0°
C7	C3	C4	C5	40.3°	38.0°
C7	C3	C2	H9	152.4°	65.0°
C7	C3	C2	H10	86.2°	55.0°
C3	C7	H12	H13	122.9°	121.4°
C3	C7	C6	H14	146.5°	119.3°
C3	C7	C6	H15	92.0°	119.3°
C7	C3	C4	H18	159.2°	156.3°
C7	C3	C4	H19	78.6°	80.4°
C4	C3	C7	C6	42.4°	23.7°
C3	C4	C5	C6	23.6°	37.9°
C3	C4	C5	H18	118.9°	118.3°
C3	C4	C5	H19	118.9°	118.3°
C4	C3	C2	H9	95.6°	49.7°
C4	C3	C2	H10	25.8°	169.8°
C4	C3	C7	H12	76.6°	95.7°
C4	C3	C7	H13	161.4°	142.9°
C3	C4	C5	H16	143.3°	156.6°
C3	C4	C5	H17	96.2°	80.7°
C3	C4	H18	H19	123.2°	123.3°
C7	C6	C5	H14	119.3°	119.3°
C7	C6	C5	H15	119.2°	119.4°
C7	C6	C5	C4	2.3°	23.6°
C6	C7	C3	H11	75.9°	95.2°
C6	C7	H12	H13	122.9°	121.4°
C7	C6	H14	H15	122.2°	121.4°
C7	C6	C5	H16	117.4°	142.3°
C7	C6	C5	H17	122.1°	95.0°
C6	C5	C4	H16	119.7°	118.7°
C6	C5	C4	H17	119.8°	118.6°
C5	C6	C7	H12	91.8°	119.3°
C5	C6	C7	H13	146.2°	119.3°
C5	C6	H14	H15	122.2°	121.4°
C6	C5	H16	H17	120.8°	122.6°
C6	C5	C4	H18	142.5°	156.2°
C6	C5	C4	H19	95.3°	80.4°
C5	C4	C3	H11	77.7°	80.8°
C4	C5	C6	H14	121.6°	95.7°
C4	C5	C6	H15	116.9°	142.9°
C4	C5	H16	H17	120.7°	122.6°
C5	C4	H18	H19	123.2°	123.4°
H4	C	N	H5	56.6°	56.0°
H4	C	N	H6	63.4°	180.0°
H4	C	C1	H8	116.9°	60.0°
H4	C	C1	H2	2.3°	180.0°
H8	C1	C2	H9	92.3°	180.0°
H8	C1	C2	H10	29.0°	59.9°
H9	C2	C3	H11	22.6°	172.4°
H9	C2	C1	H2	148.5°	60.0°
H10	C2	C3	H11	144.0°	67.5°
H10	C2	C1	H2	90.2°	180.0°
H11	C3	C7	H12	165.2°	145.5°
H11	C3	C7	H13	43.1°	24.1°
H11	C3	C4	H18	41.2°	37.6°
H11	C3	C4	H19	163.4°	160.9°
H12	C7	C6	H14	27.5°	0.0°
H12	C7	C6	H15	149.0°	121.4°
H13	C7	C6	H14	94.5°	121.4°
H13	C7	C6	H15	27.0°	0.1°
H14	C6	C5	H16	1.9°	23.0°
H14	C6	C5	H17	118.6°	145.7°
H15	C6	C5	H16	123.4°	98.4°
H15	C6	C5	H17	2.9°	24.3°
H16	C5	C4	H18	97.8°	85.1°
H16	C5	C4	H19	24.5°	38.3°
H17	C5	C4	H18	22.7°	37.6°
H17	C5	C4	H19	145.0°	161.0°

Release date:	2015-03-25
Definition date:	2014-07-31
Last modified:	2015-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	4U6C