EQ4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	N7	sing	1.34Å	1.33Å	Aromatic
C12	C11	doub	1.34Å	1.33Å	Aromatic
N7	C13	doub	1.31Å	1.33Å	Aromatic
C11	N6	sing	1.38Å	1.34Å	Aromatic
C13	N8	sing	1.38Å	1.33Å
C13	N6	sing	1.36Å	1.33Å	Aromatic
N6	P1	sing	1.64Å	1.73Å
O2	P1	doub	1.48Å	1.61Å
O5	C3	sing	1.43Å	1.45Å
P1	O3	sing	1.61Å	1.65Å
P1	O1	sing	1.61Å	1.48Å
O3	C1	sing	1.43Å	1.45Å
C3	C2	sing	1.54Å	1.54Å
C3	C4	sing	1.55Å	1.53Å
O6	C4	sing	1.43Å	1.44Å
C2	C1	sing	1.53Å	1.55Å
C2	O4	sing	1.44Å	1.47Å
C4	C5	sing	1.55Å	1.50Å
O4	C5	sing	1.44Å	1.46Å
C5	N5	sing	1.46Å	1.49Å
C10	N5	sing	1.36Å	1.33Å	Aromatic
C10	N4	doub	1.30Å	1.33Å	Aromatic
N5	C7	sing	1.37Å	1.34Å	Aromatic
N4	C8	sing	1.36Å	1.33Å	Aromatic
C7	C8	doub	1.40Å	1.34Å	Aromatic
C7	N3	sing	1.34Å	1.35Å
C8	C9	sing	1.42Å	1.33Å
N3	C6	doub	1.31Å	1.34Å
C9	O7	doub	1.22Å	1.23Å
C9	N1	sing	1.35Å	1.39Å
C6	N1	sing	1.36Å	1.39Å
C6	N2	sing	1.37Å	1.33Å
O1	H1	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
O5	H6	sing	0.97Å	0.95Å
C4	H7	sing	1.09Å	1.10Å
O6	H8	sing	0.97Å	0.95Å
C5	H9	sing	1.09Å	1.10Å
N1	H10	sing	0.97Å	1.00Å
N2	H11	sing	0.97Å	1.00Å
N2	H12	sing	0.97Å	1.00Å
C10	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.08Å	1.08Å
C12	H15	sing	1.08Å	1.08Å
N8	H16	sing	0.97Å	1.00Å
N8	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N7	C12	C11	108.5°	108.3°
C12	N7	C13	106.7°	109.3°
N7	C12	H15	125.8°	125.9°
C12	C11	N6	108.4°	107.0°
C12	C11	H14	125.8°	126.5°
C11	C12	H15	125.8°	125.9°
N7	C13	N8	124.2°	125.8°
N7	C13	N6	110.1°	108.4°
C11	N6	C13	106.4°	107.0°
C11	N6	P1	125.9°	126.5°
N6	C11	H14	125.8°	126.5°
N8	C13	N6	125.7°	125.8°
C13	N8	H16	109.5°	120.0°
C13	N8	H17	109.5°	120.1°
C13	N6	P1	127.7°	126.5°
N6	P1	O2	107.9°	109.5°
N6	P1	O3	108.6°	109.5°
N6	P1	O1	118.3°	109.5°
O2	P1	O3	103.1°	109.5°
O2	P1	O1	107.6°	109.4°
O5	C3	C2	111.2°	110.5°
O5	C3	C4	109.9°	110.5°
O5	C3	H5	111.1°	110.6°
C3	O5	H6	109.5°	114.0°
O3	P1	O1	110.1°	109.5°
P1	O3	C1	120.1°	123.0°
P1	O1	H1	109.5°	114.0°
O3	C1	C2	113.5°	109.4°
O3	C1	H2	108.4°	109.5°
O3	C1	H3	108.4°	109.5°
C2	C3	C4	104.9°	104.1°
C3	C2	C1	112.5°	109.8°
C3	C2	O4	104.7°	107.3°
C3	C2	H4	109.8°	110.0°
C2	C3	H5	109.8°	110.5°
C3	C4	O6	111.3°	110.9°
C3	C4	C5	103.1°	102.1°
C4	C3	H5	109.9°	110.5°
C3	C4	H7	110.4°	110.9°
O6	C4	C5	109.4°	110.9°
O6	C4	H7	111.7°	110.9°
C4	O6	H8	109.5°	114.0°
C1	C2	O4	109.1°	109.9°
C2	C1	H2	108.4°	109.4°
C2	C1	H3	108.4°	109.5°
C1	C2	H4	109.7°	109.9°
C2	O4	C5	108.0°	107.0°
O4	C2	H4	110.9°	109.9°
C4	C5	O4	101.9°	103.5°
C4	C5	N5	110.8°	110.6°
C5	C4	H7	110.8°	110.9°
C4	C5	H9	109.5°	110.6°
O4	C5	N5	114.5°	110.6°
O4	C5	H9	110.1°	110.6°
C5	N5	C10	123.9°	126.3°
C5	N5	C7	128.2°	126.2°
N5	C5	H9	109.7°	110.7°
N5	C10	N4	108.3°	109.8°
C10	N5	C7	107.9°	107.5°
N5	C10	H13	125.8°	125.1°
C10	N4	C8	108.2°	109.3°
N4	C10	H13	125.8°	125.1°
N5	C7	C8	107.7°	106.1°
N5	C7	N3	131.7°	134.2°
N4	C8	C7	107.9°	107.3°
N4	C8	C9	130.7°	134.2°
C8	C7	N3	120.7°	119.7°
C7	C8	C9	121.4°	118.6°
C7	N3	C6	120.4°	121.2°
C8	C9	O7	120.9°	120.8°
C8	C9	N1	119.4°	118.4°
N3	C6	N1	119.7°	121.8°
N3	C6	N2	120.7°	119.1°
O7	C9	N1	119.7°	120.8°
C9	N1	C6	118.5°	120.4°
C9	N1	H10	120.8°	119.9°
N1	C6	N2	119.6°	119.1°
C6	N1	H10	120.7°	119.8°
C6	N2	H11	120.0°	120.0°
C6	N2	H12	120.0°	120.0°
H2	C1	H3	109.5°	109.5°
H11	N2	H12	120.0°	120.0°
H16	N8	H17	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N7	C12	C11	H15	180.0°	179.8°
N7	C12	C11	N6	0.1°	0.0°
C12	N7	C13	N8	179.9°	180.0°
C12	N7	C13	N6	0.0°	0.3°
N7	C12	C11	H14	179.9°	180.0°
C11	C12	N7	C13	0.1°	0.2°
C12	C11	N6	H14	180.0°	180.0°
C12	C11	N6	C13	0.1°	0.2°
C12	C11	N6	P1	179.8°	180.0°
N7	C13	N6	C11	0.1°	0.3°
N7	C13	N8	N6	179.9°	179.6°
N7	C13	N6	P1	179.8°	179.9°
C13	N7	C12	H15	179.9°	180.0°
N7	C13	N8	H16	0.0°	0.1°
N7	C13	N8	H17	120.0°	179.9°
C11	N6	C13	N8	179.8°	180.0°
C11	N6	C13	P1	179.9°	179.8°
C11	N6	P1	O2	104.0°	150.0°
C11	N6	P1	O3	7.1°	90.0°
C11	N6	P1	O1	133.6°	30.1°
N6	C11	C12	H15	179.9°	179.8°
N8	C13	N6	P1	0.3°	0.2°
C13	N8	H16	H17	120.0°	180.0°
C13	N6	P1	O2	76.1°	29.7°
C13	N6	P1	O3	172.7°	90.3°
C13	N6	P1	O1	46.3°	149.7°
C13	N6	C11	H14	179.9°	179.8°
N6	C13	N8	H16	179.9°	179.6°
N6	C13	N8	H17	60.1°	0.4°
N6	P1	O2	O3	114.8°	120.1°
N6	P1	O2	O1	128.8°	120.0°
N6	P1	O3	O1	131.0°	120.0°
N6	P1	O3	C1	97.4°	175.0°
N6	P1	O1	H1	122.6°	60.1°
P1	N6	C11	H14	0.2°	0.0°
O2	P1	O3	O1	114.6°	120.0°
O2	P1	O3	C1	148.2°	55.0°
O2	P1	O1	H1	0.0°	180.0°
O5	C3	C2	C4	118.7°	118.6°
O5	C3	C2	H5	123.3°	122.7°
O5	C3	C4	H5	122.5°	122.7°
O5	C3	C4	O6	29.4°	20.4°
O5	C3	C2	C1	119.7°	119.9°
O5	C3	C2	O4	122.0°	120.7°
O5	C3	C4	C5	146.5°	97.8°
O5	C3	C2	H4	2.9°	1.2°
O5	C3	C4	H7	95.1°	144.0°
P1	O3	C1	C2	152.3°	180.0°
O3	P1	O1	H1	111.7°	60.0°
P1	O3	C1	H2	87.2°	60.0°
P1	O3	C1	H3	31.7°	60.1°
O1	P1	O3	C1	33.6°	65.0°
O3	C1	C2	C3	80.7°	175.7°
O3	C1	C2	H2	120.6°	120.0°
O3	C1	C2	H3	120.6°	120.0°
O3	C1	C2	O4	163.6°	66.5°
O3	C1	H2	H3	118.2°	120.0°
O3	C1	C2	H4	41.9°	54.6°
C2	C3	C4	H5	117.9°	118.7°
C2	C3	C4	O6	90.2°	139.1°
C3	C2	C1	O4	115.7°	117.8°
C3	C2	C1	H4	122.6°	121.1°
C3	C2	O4	H4	118.4°	119.6°
C2	C3	C4	C5	26.9°	20.9°
C3	C2	O4	C5	22.8°	26.5°
C3	C2	C1	H2	158.8°	64.3°
C3	C2	C1	H3	39.9°	55.7°
C2	C3	O5	H6	180.0°	180.0°
C2	C3	C4	H7	145.2°	97.3°
C3	C4	O6	C5	113.2°	112.7°
C3	C4	O6	H7	123.8°	123.6°
C4	C3	C2	C1	121.6°	121.5°
C4	C3	C2	O4	3.3°	2.1°
C3	C4	C5	H7	118.0°	118.2°
C3	C4	C5	O4	40.4°	37.0°
C3	C4	C5	N5	81.9°	155.5°
C4	C3	C2	H4	115.8°	117.5°
C4	C3	O5	H6	64.3°	65.3°
C3	C4	O6	H8	180.0°	61.5°
C3	C4	C5	H9	156.9°	81.5°
O6	C4	C5	H7	123.5°	123.6°
O6	C4	C5	O4	78.1°	155.2°
O6	C4	C5	N5	159.6°	86.3°
O6	C4	C3	H5	151.9°	102.2°
O6	C4	C5	H9	38.5°	36.7°
C1	C2	O4	H4	120.9°	121.0°
C1	C2	O4	C5	97.8°	145.9°
C2	C1	H2	H3	118.2°	120.0°
C1	C2	C3	H5	3.7°	2.8°
C2	O4	C5	C4	40.1°	40.1°
C2	O4	C5	N5	79.7°	158.6°
O4	C2	C1	H2	43.0°	53.5°
O4	C2	C1	H3	75.8°	173.6°
O4	C2	C3	H5	114.7°	116.6°
C2	O4	C5	H9	156.2°	78.4°
C4	C5	O4	N5	119.7°	118.5°
C4	C5	O4	H9	116.2°	118.5°
C4	C5	N5	H9	121.1°	122.9°
C4	C5	N5	C10	97.3°	90.5°
C4	C5	N5	C7	82.3°	89.0°
C5	C4	C3	H5	91.0°	139.5°
C5	C4	O6	H8	66.8°	174.2°
O4	C5	N5	H9	124.3°	123.0°
O4	C5	N5	C10	17.3°	23.6°
O4	C5	N5	C7	163.1°	157.0°
C5	O4	C2	H4	141.2°	93.0°
O4	C5	C4	H7	158.4°	81.2°
C5	N5	C10	C7	179.6°	179.5°
C5	N5	C10	N4	179.8°	180.0°
C5	N5	C7	C8	180.0°	180.0°
C5	N5	C7	N3	0.3°	0.4°
N5	C5	C4	H7	36.1°	37.3°
C5	N5	C10	H13	0.2°	0.5°
N5	C10	N4	H13	180.0°	179.5°
N5	C10	N4	C8	0.1°	0.3°
C10	N5	C7	C8	0.3°	0.4°
C10	N5	C7	N3	179.9°	179.9°
C10	N5	C5	H9	141.6°	146.6°
N4	C10	N5	C7	0.2°	0.5°
C10	N4	C8	C7	0.3°	0.0°
C10	N4	C8	C9	179.7°	179.7°
N5	C7	C8	N4	0.4°	0.2°
N5	C7	C8	N3	179.8°	179.7°
N5	C7	C8	C9	179.9°	180.0°
N5	C7	N3	C6	180.0°	179.7°
C7	N5	C5	H9	38.8°	34.0°
C7	N5	C10	H13	179.8°	180.0°
N4	C8	C7	C9	179.5°	179.8°
N4	C8	C7	N3	179.8°	180.0°
N4	C8	C9	O7	0.4°	0.3°
N4	C8	C9	N1	179.6°	179.8°
C8	N4	C10	H13	180.0°	179.8°
C8	C7	N3	C6	0.2°	0.0°
C7	C8	C9	O7	179.8°	180.0°
C7	C8	C9	N1	0.2°	0.5°
N3	C7	C8	C9	0.3°	0.3°
C7	N3	C6	N1	0.1°	0.0°
C7	N3	C6	N2	179.9°	180.0°
C8	C9	O7	N1	180.0°	179.5°
C8	C9	N1	C6	0.1°	0.5°
C8	C9	N1	H10	179.9°	179.8°
N3	C6	N1	C9	0.0°	0.3°
N3	C6	N1	N2	180.0°	180.0°
N3	C6	N1	H10	180.0°	180.0°
N3	C6	N2	H11	0.0°	180.0°
N3	C6	N2	H12	180.0°	0.0°
O7	C9	N1	C6	179.9°	180.0°
O7	C9	N1	H10	0.1°	0.2°
C9	N1	C6	H10	180.0°	179.7°
C9	N1	C6	N2	180.0°	179.7°
N1	C6	N2	H11	180.0°	0.0°
N1	C6	N2	H12	0.0°	180.0°
N2	C6	N1	H10	0.0°	0.0°
C6	N2	H11	H12	180.0°	180.0°
H2	C1	C2	H4	78.6°	174.6°
H3	C1	C2	H4	162.5°	65.4°
H4	C2	C3	H5	126.2°	123.8°
H5	C3	O5	H6	57.4°	57.4°
H5	C3	C4	H7	27.3°	21.4°
H7	C4	O6	H8	56.2°	62.1°
H7	C4	C5	H9	85.0°	160.3°
H14	C11	C12	H15	0.1°	0.3°

Release date:	2018-05-30
Definition date:	2018-01-25
Last modified:	2018-05-25
Release status:	REL
Processing site:	RCSB
Derived from:	6C8M