Q04

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.47Å	1.42Å
C4	C3	sing	1.53Å	1.55Å
C4	C5	sing	1.53Å	1.49Å
O2	P	doub	1.48Å	1.60Å
C3	C2	sing	1.53Å	1.49Å
C	P	sing	1.82Å	1.75Å
C	C1	sing	1.53Å	1.54Å
C2	C1	sing	1.53Å	1.51Å
C2	C7	sing	1.53Å	1.54Å
C5	C6	sing	1.53Å	1.52Å
P	O	sing	1.61Å	1.46Å
P	O1	sing	1.61Å	1.58Å
C6	C7	sing	1.53Å	1.53Å
O	H1	sing	0.97Å	0.95Å
O1	H2	sing	0.97Å	0.95Å
C	H3	sing	1.09Å	1.10Å
N	H4	sing	1.01Å	1.00Å
N	H5	sing	1.01Å	1.00Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C5	H14	sing	1.09Å	1.10Å
C5	H15	sing	1.09Å	1.10Å
C4	H16	sing	1.09Å	1.10Å
C4	H17	sing	1.09Å	1.10Å
C3	H18	sing	1.09Å	1.10Å
C3	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	P	114.8°	109.4°
N	C	C1	111.4°	109.5°
N	C	H3	109.6°	109.4°
C	N	H4	109.5°	111.1°
C	N	H5	109.5°	111.0°
C3	C4	C5	110.4°	109.5°
C4	C3	C2	110.1°	109.5°
C3	C4	H16	109.2°	109.5°
C3	C4	H17	109.2°	109.5°
C4	C3	H18	109.3°	109.5°
C4	C3	H19	109.3°	109.4°
C4	C5	C6	112.7°	109.4°
C4	C5	H14	108.6°	109.5°
C4	C5	H15	108.6°	109.5°
C5	C4	H16	109.2°	109.5°
C5	C4	H17	109.2°	109.4°
O2	P	C	102.3°	109.5°
O2	P	O	109.0°	109.4°
O2	P	O1	106.1°	109.5°
C3	C2	C1	124.1°	109.5°
C3	C2	C7	105.3°	109.5°
C3	C2	H9	109.8°	109.5°
C2	C3	H18	109.3°	109.5°
C2	C3	H19	109.3°	109.5°
P	C	C1	107.0°	109.5°
C	P	O	115.4°	109.5°
C	P	O1	107.2°	109.5°
P	C	H3	105.8°	109.5°
C	C1	C2	118.5°	109.5°
C1	C	H3	107.9°	109.5°
C	C1	H7	107.1°	109.5°
C	C1	H8	107.1°	109.5°
C1	C2	C7	97.3°	109.5°
C2	C1	H7	107.2°	109.5°
C2	C1	H8	107.2°	109.5°
C1	C2	H9	109.6°	109.5°
C2	C7	C6	99.1°	109.5°
C7	C2	H9	109.1°	109.5°
C2	C7	H10	112.0°	109.5°
C2	C7	H11	112.0°	109.5°
C5	C6	C7	107.6°	109.4°
C5	C6	H12	109.9°	109.5°
C5	C6	H13	110.0°	109.5°
C6	C5	H14	108.7°	109.4°
C6	C5	H15	108.7°	109.5°
O	P	O1	115.6°	109.5°
P	O	H1	109.5°	114.0°
P	O1	H2	109.5°	114.0°
C6	C7	H10	112.0°	109.5°
C6	C7	H11	112.0°	109.5°
C7	C6	H12	109.9°	109.5°
C7	C6	H13	109.9°	109.4°
H4	N	H5	109.5°	110.9°
H7	C1	H8	109.5°	109.4°
H10	C7	H11	109.5°	109.5°
H12	C6	H13	109.4°	109.5°
H14	C5	H15	109.5°	109.5°
H16	C4	H17	109.5°	109.5°
H18	C3	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	P	O2	38.5°	65.8°
N	C	P	C1	124.2°	120.0°
N	C	P	H3	120.9°	119.9°
N	C	C1	H3	120.4°	120.0°
N	C	C1	C2	83.6°	65.4°
N	C	P	O	156.7°	174.3°
N	C	P	O1	72.9°	54.2°
C	N	H4	H5	120.0°	123.9°
N	C	C1	H7	37.7°	54.6°
N	C	C1	H8	155.1°	174.6°
C3	C4	C5	H16	120.1°	120.0°
C3	C4	C5	H17	120.2°	120.0°
C4	C3	C2	H18	120.1°	120.0°
C4	C3	C2	H19	120.1°	120.0°
C4	C3	C2	C1	178.0°	180.0°
C4	C3	C2	C7	67.8°	60.0°
C3	C4	C5	C6	45.6°	60.1°
C4	C3	C2	H9	49.5°	60.0°
C3	C4	C5	H14	74.9°	180.0°
C3	C4	C5	H15	166.1°	60.0°
C3	C4	H16	H17	119.6°	120.0°
C4	C3	H18	H19	119.7°	120.0°
C5	C4	C3	C2	50.1°	60.0°
C4	C5	C6	H14	120.5°	120.0°
C4	C5	C6	H15	120.4°	120.0°
C4	C5	C6	C7	59.9°	60.0°
C4	C5	C6	H12	179.6°	60.0°
C4	C5	C6	H13	59.8°	180.0°
C4	C5	H14	H15	118.5°	120.1°
C5	C4	H16	H17	119.6°	120.0°
C5	C4	C3	H18	170.2°	60.0°
C5	C4	C3	H19	70.0°	180.0°
O2	P	C	O	118.2°	120.0°
O2	P	C	O1	111.4°	120.0°
O2	P	C	C1	162.7°	54.2°
O2	P	O	O1	119.4°	120.0°
O2	P	O	H1	0.0°	55.1°
O2	P	O1	H2	0.0°	180.0°
O2	P	C	H3	82.5°	174.3°
C3	C2	C1	C	77.1°	65.5°
C3	C2	C1	C7	114.1°	120.0°
C3	C2	C1	H9	132.5°	120.0°
C3	C2	C7	H9	117.8°	120.0°
C3	C2	C7	C6	77.5°	60.0°
C3	C2	C1	H7	161.6°	174.5°
C3	C2	C1	H8	44.2°	54.5°
C3	C2	C7	H10	164.2°	180.0°
C3	C2	C7	H11	40.8°	60.0°
C2	C3	C4	H16	170.2°	60.0°
C2	C3	C4	H17	70.1°	180.0°
C2	C3	H18	H19	119.7°	120.0°
P	C	C1	H3	113.4°	120.0°
P	C	C1	C2	150.1°	174.6°
C	P	O	O1	126.3°	120.0°
C	P	O	H1	114.4°	175.0°
C	P	O1	H2	108.7°	60.0°
P	C	N	H4	180.0°	60.1°
P	C	N	H5	60.0°	176.0°
P	C	C1	H7	88.6°	65.4°
P	C	C1	H8	28.8°	54.6°
C	C1	C2	H7	121.3°	120.0°
C	C1	C2	H8	121.3°	120.0°
C	C1	C2	C7	168.8°	174.5°
C1	C	P	O	79.1°	65.7°
C1	C	P	O1	51.3°	174.2°
C1	C	N	H4	58.2°	60.0°
C1	C	N	H5	178.2°	63.9°
C	C1	H7	H8	115.9°	120.0°
C	C1	C2	H9	55.4°	54.5°
C1	C2	C7	H9	113.7°	120.0°
C1	C2	C7	C6	154.1°	180.0°
C2	C1	C	H3	36.7°	54.5°
C2	C1	H7	H8	115.9°	120.0°
C1	C2	C7	H10	35.8°	60.0°
C1	C2	C7	H11	87.6°	60.0°
C1	C2	C3	H18	61.9°	60.0°
C1	C2	C3	H19	58.0°	60.0°
C2	C7	C6	C5	72.5°	60.0°
C2	C7	C6	H10	118.3°	120.0°
C2	C7	C6	H11	118.3°	120.0°
C7	C2	C1	H7	47.5°	54.5°
C7	C2	C1	H8	69.9°	65.5°
C2	C7	H10	H11	124.8°	120.0°
C2	C7	C6	H12	167.8°	60.1°
C2	C7	C6	H13	47.2°	180.0°
C7	C2	C3	H18	172.1°	60.0°
C7	C2	C3	H19	52.3°	179.9°
C5	C6	C7	H12	119.7°	120.1°
C5	C6	C7	H13	119.7°	120.0°
C5	C6	C7	H10	169.2°	180.0°
C5	C6	C7	H11	45.8°	60.0°
C5	C6	H12	H13	120.9°	120.0°
C6	C5	H14	H15	118.5°	120.0°
C6	C5	C4	H16	165.7°	60.0°
C6	C5	C4	H17	74.6°	180.0°
O	P	O1	H2	121.0°	60.0°
O	P	C	H3	35.7°	54.3°
O1	P	O	H1	119.4°	64.9°
O1	P	C	H3	166.2°	65.7°
C6	C7	C2	H9	40.4°	60.0°
C6	C7	H10	H11	124.8°	120.0°
C7	C6	H12	H13	120.8°	119.9°
C7	C6	C5	H14	60.5°	180.0°
C7	C6	C5	H15	179.6°	60.0°
H3	C	N	H4	61.2°	180.0°
H3	C	N	H5	58.8°	56.1°
H3	C	C1	H7	158.0°	174.5°
H3	C	C1	H8	84.6°	65.5°
H7	C1	C2	H9	65.9°	65.5°
H8	C1	C2	H9	176.7°	174.5°
H9	C2	C7	H10	77.9°	60.0°
H9	C2	C7	H11	158.7°	180.0°
H9	C2	C3	H18	70.5°	180.0°
H9	C2	C3	H19	169.6°	60.0°
H10	C7	C6	H12	49.5°	59.9°
H10	C7	C6	H13	71.0°	60.0°
H11	C7	C6	H12	73.9°	179.9°
H11	C7	C6	H13	165.5°	60.0°
H12	C6	C5	H14	59.2°	60.0°
H12	C6	C5	H15	59.9°	180.0°
H13	C6	C5	H14	179.7°	60.0°
H13	C6	C5	H15	60.6°	59.9°
H14	C5	C4	H16	45.3°	59.9°
H14	C5	C4	H17	165.0°	60.1°
H15	C5	C4	H16	73.8°	180.0°
H15	C5	C4	H17	45.9°	60.0°
H16	C4	C3	H18	69.7°	NaN°
H16	C4	C3	H19	50.1°	60.0°
H17	C4	C3	H18	50.0°	60.0°
H17	C4	C3	H19	169.8°	60.1°

Release date:	2015-03-25
Definition date:	2014-08-06
Last modified:	2015-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	4U70