7B9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	doub	1.32Å	1.35Å	Aromatic
N1	C2	sing	1.32Å	1.34Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C2A	C2	sing	1.51Å	1.51Å
C2	C3	doub	1.39Å	1.48Å	Aromatic
C5	C5A	sing	1.51Å	1.51Å
C5	C4	doub	1.39Å	1.47Å	Aromatic
C5A	O4P	sing	1.43Å	1.42Å
C3	C4	sing	1.39Å	1.48Å	Aromatic
C3	O3	sing	1.36Å	1.35Å
O1P	P	doub	1.48Å	1.52Å
C4	C4A	sing	1.51Å	1.51Å
O4P	P	sing	1.61Å	1.61Å
P	O2P	sing	1.61Å	1.52Å
P	O3P	sing	1.61Å	1.50Å
C4A	N2	sing	1.46Å	1.44Å
N2	C7	sing	1.40Å	1.35Å
C8	C7	doub	1.36Å	1.39Å
C8	N9	sing	1.36Å	1.34Å
C7	C12	sing	1.42Å	1.48Å
N9	C10	sing	1.35Å	1.34Å
C12	O13	doub	1.22Å	1.25Å
C12	C11	sing	1.41Å	1.39Å
C10	C11	doub	1.35Å	1.40Å
C10	C14	sing	1.51Å	1.50Å
O3P	H1	sing	0.97Å	0.95Å
O2P	H2	sing	0.97Å	0.95Å
C5A	H3	sing	1.09Å	1.10Å
C5A	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.08Å	1.08Å
C4A	H6	sing	1.09Å	1.10Å
C4A	H7	sing	1.09Å	1.10Å
O3	H8	sing	0.97Å	0.95Å
C2A	H9	sing	1.09Å	1.10Å
C2A	H10	sing	1.09Å	1.10Å
C2A	H11	sing	1.09Å	1.10Å
N2	H12	sing	0.97Å	1.00Å
C8	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.08Å	1.08Å
C14	H16	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å
N9	H19	sing	0.97Å	1.00Å
C14	C1	sing	1.53Å	21.02Å
C1	C9	sing	1.53Å	0.00Å
C9	O1	sing	1.43Å	0.00Å
C1	H15	sing	1.09Å	0.00Å
C1	H18	sing	1.09Å	0.00Å
C9	H20	sing	1.09Å	0.00Å
C9	H21	sing	1.09Å	0.00Å
O1	H22	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N1	C2	123.6°	121.8°
N1	C6	C5	122.8°	120.9°
N1	C6	H5	118.6°	119.6°
N1	C2	C2A	121.3°	119.6°
N1	C2	C3	119.3°	120.7°
C6	C5	C5A	122.2°	120.4°
C6	C5	C4	119.1°	119.3°
C5	C6	H5	118.6°	119.6°
C2A	C2	C3	119.4°	119.7°
C2	C2A	H9	109.5°	109.4°
C2	C2A	H10	109.5°	109.5°
C2	C2A	H11	109.5°	109.5°
C2	C3	C4	117.9°	119.1°
C2	C3	O3	119.8°	120.5°
C5A	C5	C4	118.7°	120.3°
C5	C5A	O4P	110.5°	109.4°
C5	C5A	H3	109.2°	109.5°
C5	C5A	H4	109.2°	109.5°
C5	C4	C3	117.2°	118.3°
C5	C4	C4A	117.9°	120.8°
C5A	O4P	P	121.6°	123.0°
O4P	C5A	H3	109.2°	109.5°
O4P	C5A	H4	109.2°	109.5°
C4	C3	O3	122.2°	120.4°
C3	C4	C4A	124.9°	120.8°
C3	O3	H8	109.5°	114.0°
O1P	P	O4P	105.5°	109.5°
O1P	P	O2P	113.1°	109.4°
O1P	P	O3P	112.3°	109.4°
C4	C4A	N2	113.1°	109.5°
C4	C4A	H6	108.5°	109.5°
C4	C4A	H7	108.5°	109.5°
O4P	P	O2P	101.1°	109.5°
O4P	P	O3P	109.2°	109.5°
O2P	P	O3P	114.7°	109.5°
P	O2P	H2	109.5°	114.0°
P	O3P	H1	109.5°	114.0°
C4A	N2	C7	117.3°	120.0°
N2	C4A	H6	108.6°	109.5°
N2	C4A	H7	108.6°	109.4°
C4A	N2	H12	107.5°	120.0°
N2	C7	C8	122.2°	120.5°
N2	C7	C12	118.6°	120.4°
C7	N2	H12	107.5°	120.0°
C7	C8	N9	119.4°	120.6°
C8	C7	C12	119.2°	119.1°
C7	C8	H13	120.3°	119.6°
C8	N9	C10	122.5°	121.5°
N9	C8	H13	120.3°	119.8°
C8	N9	H19	118.7°	119.2°
C7	C12	O13	118.8°	120.7°
C7	C12	C11	118.3°	118.7°
N9	C10	C11	122.4°	120.8°
N9	C10	C14	117.3°	119.6°
C10	N9	H19	118.7°	119.3°
O13	C12	C11	122.9°	120.6°
C12	C11	C10	118.1°	119.3°
C12	C11	H14	120.9°	120.3°
C11	C10	C14	120.2°	119.6°
C10	C11	H14	120.9°	120.4°
C10	C14	H16	103.0°	109.5°
C10	C14	H17	103.0°	109.5°
C10	C14	C1	134.1°	109.5°
H3	C5A	H4	109.5°	109.5°
H6	C4A	H7	109.5°	109.5°
H9	C2A	H10	109.5°	109.5°
H9	C2A	H11	109.4°	109.4°
H10	C2A	H11	109.5°	109.5°
H16	C14	H17	109.5°	109.5°
H16	C14	C1	103.0°	109.4°
H17	C14	C1	103.0°	109.4°
C14	C1	C9	90.0°	109.5°
C14	C1	H15	90.0°	109.5°
C14	C1	H18	90.0°	109.5°
C1	C9	O1	90.0°	109.5°
C9	C1	H15	90.0°	109.5°
C9	C1	H18	90.0°	109.5°
C1	C9	H20	90.0°	109.5°
C1	C9	H21	90.0°	109.5°
O1	C9	H20	90.0°	109.5°
O1	C9	H21	90.0°	109.5°
C9	O1	H22	90.0°	114.0°
H15	C1	H18	90.0°	109.5°
H20	C9	H21	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C6	C5	H5	180.0°	180.0°
C6	N1	C2	C2A	179.9°	180.0°
C6	N1	C2	C3	0.6°	0.2°
N1	C6	C5	C5A	178.7°	180.0°
N1	C6	C5	C4	1.1°	0.2°
C2	N1	C6	C5	0.3°	0.0°
N1	C2	C2A	C3	179.3°	179.8°
N1	C2	C3	C4	0.8°	0.3°
N1	C2	C3	O3	179.8°	179.8°
C2	N1	C6	H5	179.7°	180.0°
N1	C2	C2A	H9	0.0°	90.0°
N1	C2	C2A	H10	120.0°	150.0°
N1	C2	C2A	H11	120.0°	29.9°
C6	C5	C5A	C4	177.6°	179.8°
C6	C5	C5A	O4P	118.1°	0.3°
C6	C5	C4	C3	0.9°	0.2°
C6	C5	C4	C4A	179.4°	179.8°
C6	C5	C5A	H3	2.0°	119.7°
C6	C5	C5A	H4	121.7°	120.2°
C2A	C2	C3	C4	180.0°	179.9°
C2A	C2	C3	O3	0.5°	0.0°
C2	C2A	H9	H10	120.0°	120.0°
C2	C2A	H9	H11	120.0°	120.0°
C2	C2A	H10	H11	120.0°	120.1°
C2	C3	C4	C5	0.0°	0.1°
C2	C3	C4	O3	179.4°	179.9°
C2	C3	C4	C4A	179.7°	180.0°
C2	C3	O3	H8	180.0°	90.0°
C3	C2	C2A	H9	179.3°	89.8°
C3	C2	C2A	H10	60.7°	30.2°
C3	C2	C2A	H11	59.3°	150.3°
C5	C5A	O4P	H3	120.1°	120.0°
C5	C5A	O4P	H4	120.2°	120.0°
C5A	C5	C4	C3	178.5°	180.0°
C5A	C5	C4	C4A	1.8°	0.0°
C5	C5A	O4P	P	156.8°	180.0°
C5	C5A	H3	H4	119.5°	120.0°
C5A	C5	C6	H5	1.3°	0.0°
C4	C5	C5A	O4P	64.3°	179.9°
C5	C4	C3	C4A	179.7°	179.9°
C5	C4	C3	O3	179.4°	180.0°
C5	C4	C4A	N2	144.6°	90.0°
C4	C5	C5A	H3	175.5°	60.1°
C4	C5	C5A	H4	55.8°	60.0°
C4	C5	C6	H5	178.9°	179.8°
C5	C4	C4A	H6	94.9°	149.9°
C5	C4	C4A	H7	24.0°	29.9°
C5A	O4P	P	O1P	55.1°	55.0°
C5A	O4P	P	O2P	173.0°	65.0°
C5A	O4P	P	O3P	65.7°	175.0°
O4P	C5A	H3	H4	119.5°	120.0°
C3	C4	C4A	N2	35.8°	90.0°
C3	C4	C4A	H6	84.8°	30.0°
C3	C4	C4A	H7	156.3°	150.0°
C4	C3	O3	H8	0.6°	90.0°
O3	C3	C4	C4A	0.3°	0.1°
O1P	P	O4P	O2P	117.9°	120.0°
O1P	P	O4P	O3P	120.8°	120.0°
O1P	P	O2P	O3P	130.5°	119.9°
O1P	P	O3P	H1	0.0°	60.0°
O1P	P	O2P	H2	0.0°	180.0°
C4	C4A	N2	H6	120.5°	120.0°
C4	C4A	N2	H7	120.5°	120.0°
C4	C4A	N2	C7	160.9°	180.0°
C4	C4A	H6	H7	118.3°	120.0°
C4	C4A	N2	H12	39.8°	0.0°
O4P	P	O2P	O3P	117.3°	120.0°
O4P	P	O3P	H1	116.6°	180.0°
O4P	P	O2P	H2	112.2°	60.0°
P	O4P	C5A	H3	83.0°	60.0°
P	O4P	C5A	H4	36.7°	60.1°
O2P	P	O3P	H1	130.9°	59.9°
O3P	P	O2P	H2	130.5°	60.1°
C4A	N2	C7	H12	121.1°	179.9°
C4A	N2	C7	C8	40.8°	0.3°
C4A	N2	C7	C12	139.4°	180.0°
N2	C4A	H6	H7	118.4°	120.0°
N2	C7	C8	C12	179.8°	179.7°
N2	C7	C8	N9	180.0°	180.0°
N2	C7	C12	O13	0.6°	0.0°
N2	C7	C12	C11	179.8°	179.8°
C7	N2	C4A	H6	78.6°	60.0°
C7	N2	C4A	H7	40.3°	60.0°
N2	C7	C8	H13	0.0°	0.0°
C7	C8	N9	H13	180.0°	180.0°
C7	C8	N9	C10	0.3°	0.0°
C8	C7	C12	O13	179.6°	179.7°
C8	C7	C12	C11	0.0°	0.5°
C8	C7	N2	H12	80.3°	179.7°
C7	C8	N9	H19	179.7°	179.9°
N9	C8	C7	C12	0.2°	0.3°
C8	N9	C10	H19	180.0°	179.9°
C8	N9	C10	C11	0.2°	0.1°
C8	N9	C10	C14	179.3°	180.0°
C7	C12	O13	C11	179.6°	179.8°
C7	C12	C11	C10	0.1°	0.4°
C12	C7	N2	H12	99.5°	0.1°
C12	C7	C8	H13	179.8°	179.8°
C7	C12	C11	H14	179.9°	179.7°
N9	C10	C11	C12	0.1°	0.2°
N9	C10	C11	C14	179.5°	180.0°
C10	N9	C8	H13	179.7°	179.9°
N9	C10	C11	H14	180.0°	180.0°
N9	C10	C14	H16	16.9°	34.9°
N9	C10	C14	H17	130.7°	155.0°
N9	C10	C14	C1	106.2°	85.0°
O13	C12	C11	C10	179.5°	179.8°
O13	C12	C11	H14	0.5°	0.1°
C12	C11	C10	H14	180.0°	179.8°
C12	C11	C10	C14	179.5°	179.8°
C11	C10	C14	H16	162.6°	145.0°
C11	C10	C14	H17	48.8°	25.0°
C11	C10	N9	H19	179.8°	180.0°
C11	C10	C14	C1	74.3°	95.0°
C14	C10	C11	H14	0.5°	0.0°
C10	C14	H16	H17	109.1°	120.1°
C10	C14	H16	C1	141.8°	120.0°
C10	C14	H17	C1	141.9°	120.0°
C14	C10	N9	H19	0.7°	0.1°
C10	C14	C1	C9	90.0°	180.0°
C10	C14	C1	H15	90.0°	60.0°
C10	C14	C1	H18	90.0°	60.0°
H6	C4A	N2	H12	160.3°	120.1°
H7	C4A	N2	H12	80.8°	120.0°
H9	C2A	H10	H11	120.0°	120.0°
H13	C8	N9	H19	0.3°	0.0°
H16	C14	H17	C1	109.1°	119.9°
H16	C14	C1	C9	90.0°	60.0°
H16	C14	C1	H15	90.0°	180.0°
H16	C14	C1	H18	90.0°	60.0°
H17	C14	C1	C9	90.0°	60.0°
H17	C14	C1	H15	90.0°	60.0°
H17	C14	C1	H18	90.0°	180.0°
C14	C1	C9	H15	90.0°	120.0°
C14	C1	C9	H18	90.0°	120.0°
C14	C1	C9	O1	90.0°	180.0°
C14	C1	H15	H18	90.0°	120.0°
C14	C1	C9	H20	90.0°	60.0°
C14	C1	C9	H21	90.0°	60.0°
C1	C9	O1	H20	90.0°	120.0°
C1	C9	O1	H21	90.0°	120.1°
C9	C1	H15	H18	90.0°	120.0°
C1	C9	H20	H21	90.0°	120.0°
C1	C9	O1	H22	90.0°	180.0°
O1	C9	C1	H15	90.0°	60.0°
O1	C9	C1	H18	90.0°	60.0°
O1	C9	H20	H21	90.0°	120.0°
H15	C1	C9	H20	90.0°	180.0°
H15	C1	C9	H21	90.0°	60.0°
H18	C1	C9	H20	90.0°	60.0°
H18	C1	C9	H21	90.0°	180.0°
H20	C9	O1	H22	90.0°	60.0°
H21	C9	O1	H22	90.0°	59.9°

Release date:	2017-05-31
Definition date:	2016-09-28
Last modified:	2017-05-26
Release status:	REL
Processing site:	RCSB
Derived from:	5TE2