ZAP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.48Å	1.40Å
C1	N1	doub	1.30Å	1.34Å
C1	N2	sing	1.38Å	1.33Å
C2	C3	doub	1.39Å	1.38Å	Aromatic
C2	C7	sing	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	doub	1.38Å	1.37Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	sing	1.38Å	1.38Å	Aromatic
C5	C8	sing	1.51Å	1.53Å
C6	C7	doub	1.38Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	H7	sing	1.08Å	1.10Å
C8	N3	sing	1.46Å	1.44Å
C8	P	sing	1.82Å	1.84Å
C8	H8	sing	1.09Å	1.11Å
C9	N3	sing	1.35Å	1.33Å
C9	O3	doub	1.22Å	1.23Å
C9	O4	sing	1.35Å	1.43Å
C10	C11	sing	1.51Å	1.54Å
C10	O4	sing	1.45Å	1.46Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.11Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C11	C16	sing	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	doub	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	sing	1.38Å	1.38Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	C16	doub	1.38Å	1.38Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	H16	sing	1.08Å	1.10Å
N1	HN1	sing	0.97Å	1.02Å
N2	HN21	sing	0.97Å	1.02Å
N2	HN22	sing	0.97Å	1.02Å
N3	HN3	sing	0.97Å	1.02Å
O1P	P	doub	1.48Å	1.47Å
O2P	P	sing	1.61Å	1.48Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	P	sing	1.61Å	1.54Å
O3P	HOP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N1	121.0°	120.0°
C2	C1	N2	123.0°	120.0°
C1	C2	C3	120.1°	120.1°
C1	C2	C7	123.0°	120.1°
N1	C1	N2	115.9°	120.0°
C1	N1	HN1	77.3°	120.0°
C1	N2	HN21	122.9°	120.0°
C1	N2	HN22	107.5°	120.0°
C3	C2	C7	116.8°	119.8°
C2	C3	C4	121.2°	119.8°
C2	C3	H3	119.4°	120.1°
C2	C7	C6	122.8°	119.8°
C2	C7	H7	118.1°	120.1°
C4	C3	H3	119.5°	120.1°
C3	C4	C5	121.2°	120.1°
C3	C4	H4	119.7°	120.0°
C5	C4	H4	119.1°	119.9°
C4	C5	C6	120.1°	120.3°
C4	C5	C8	114.9°	119.9°
C6	C5	C8	125.0°	119.9°
C5	C6	C7	117.9°	120.2°
C5	C6	H6	120.1°	119.9°
C5	C8	N3	113.9°	109.5°
C5	C8	P	120.6°	109.5°
C5	C8	H8	97.0°	109.5°
C7	C6	H6	122.0°	119.9°
C6	C7	H7	119.1°	120.1°
N3	C8	P	109.7°	109.5°
N3	C8	H8	111.5°	109.5°
C8	N3	C9	114.4°	120.0°
C8	N3	HN3	126.3°	120.0°
P	C8	H8	102.7°	109.4°
C8	P	O1P	111.0°	109.5°
C8	P	O2P	113.0°	109.4°
C8	P	O3P	113.5°	109.5°
N3	C9	O3	119.6°	120.0°
N3	C9	O4	115.9°	120.0°
C9	N3	HN3	119.3°	120.0°
O3	C9	O4	113.7°	120.0°
C9	O4	C10	122.1°	120.0°
C11	C10	O4	113.1°	109.5°
C11	C10	H101	110.9°	109.5°
C11	C10	H102	110.9°	109.4°
C10	C11	C12	119.6°	119.9°
C10	C11	C16	121.6°	120.1°
O4	C10	H101	110.9°	109.5°
O4	C10	H102	110.9°	109.4°
H101	C10	H102	99.4°	109.5°
C12	C11	C16	118.7°	120.0°
C11	C12	C13	120.7°	120.0°
C11	C12	H12	119.7°	120.0°
C11	C16	C15	120.8°	120.0°
C11	C16	H16	120.0°	120.0°
C13	C12	H12	119.6°	120.0°
C12	C13	C14	119.7°	120.0°
C12	C13	H13	120.1°	120.1°
C14	C13	H13	120.2°	119.9°
C13	C14	C15	120.2°	120.0°
C13	C14	H14	120.1°	120.0°
C15	C14	H14	119.7°	120.0°
C14	C15	C16	119.7°	120.0°
C14	C15	H15	120.0°	120.0°
C16	C15	H15	120.2°	120.0°
C15	C16	H16	119.2°	120.0°
HN21	N2	HN22	107.4°	120.0°
O1P	P	O2P	111.3°	109.4°
O1P	P	O3P	97.7°	109.4°
P	O2P	HOP2	113.0°	106.8°
O2P	P	O3P	109.4°	109.5°
P	O3P	HOP3	113.5°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N1	N2	176.9°	179.9°
C1	C2	C3	C7	177.4°	179.7°
C1	C2	C3	C4	178.3°	180.0°
C1	C2	C3	H3	1.8°	0.0°
C1	C2	C7	C6	178.3°	179.7°
C1	C2	C7	H7	1.7°	0.3°
C2	C1	N1	HN1	0.6°	0.0°
C2	C1	N2	HN21	180.0°	180.0°
C2	C1	N2	HN22	54.7°	0.2°
N1	C1	C2	C3	1.5°	0.0°
N1	C1	C2	C7	178.7°	179.7°
N1	C1	N2	HN21	3.1°	0.0°
N1	C1	N2	HN22	128.4°	179.8°
N2	C1	C2	C3	178.1°	180.0°
N2	C1	C2	C7	4.6°	0.3°
N2	C1	N1	HN1	176.3°	180.0°
C1	N2	HN21	HN22	125.3°	179.8°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.5°	0.0°
C2	C3	C4	H4	179.5°	180.0°
C3	C2	C7	C6	1.0°	0.6°
C3	C2	C7	H7	179.1°	180.0°
C7	C2	C3	C4	0.9°	0.3°
C7	C2	C3	H3	179.2°	179.7°
C2	C7	C6	C5	0.3°	0.7°
C2	C7	C6	H7	180.0°	179.4°
C2	C7	C6	H6	179.8°	179.7°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	1.8°	0.1°
C3	C4	C5	C8	175.3°	180.0°
H3	C3	C4	C5	179.5°	180.0°
H3	C3	C4	H4	0.5°	0.0°
C4	C5	C6	C8	176.7°	179.9°
C4	C5	C6	C7	1.6°	0.4°
C4	C5	C6	H6	178.4°	180.0°
C4	C5	C8	N3	83.8°	30.0°
C4	C5	C8	P	142.6°	90.0°
C4	C5	C8	H8	33.4°	150.0°
H4	C4	C5	C6	178.2°	179.9°
H4	C4	C5	C8	4.7°	0.0°
C5	C6	C7	H6	179.9°	179.6°
C5	C6	C7	H7	179.7°	179.9°
C6	C5	C8	N3	93.0°	150.1°
C6	C5	C8	P	40.5°	89.9°
C6	C5	C8	H8	149.7°	30.0°
C8	C5	C6	C7	175.1°	179.7°
C8	C5	C6	H6	4.9°	0.1°
C5	C8	N3	P	138.5°	120.0°
C5	C8	N3	H8	108.5°	120.0°
C5	C8	P	H8	106.1°	120.0°
C5	C8	N3	C9	142.4°	150.0°
C5	C8	N3	HN3	37.5°	30.0°
C5	C8	P	O1P	177.4°	60.0°
C5	C8	P	O2P	56.7°	60.0°
C5	C8	P	O3P	68.5°	180.0°
H6	C6	C7	H7	0.2°	0.3°
N3	C8	P	H8	118.6°	120.0°
C8	N3	C9	HN3	180.0°	180.0°
C8	N3	C9	O3	48.8°	0.0°
C8	N3	C9	O4	169.0°	179.9°
N3	C8	P	O1P	42.1°	180.0°
N3	C8	P	O2P	168.1°	60.0°
N3	C8	P	O3P	66.7°	60.0°
P	C8	N3	C9	79.1°	90.0°
P	C8	N3	HN3	100.9°	90.0°
C8	P	O1P	O2P	126.9°	120.0°
C8	P	O1P	O3P	118.8°	120.0°
C8	P	O2P	O3P	127.4°	120.0°
C8	P	O2P	HOP2	180.0°	180.0°
C8	P	O3P	HOP3	180.0°	60.0°
H8	C8	N3	C9	33.9°	30.0°
H8	C8	N3	HN3	146.1°	150.0°
H8	C8	P	O1P	76.5°	60.0°
H8	C8	P	O2P	49.4°	180.0°
H8	C8	P	O3P	174.7°	60.0°
N3	C9	O3	O4	143.0°	179.9°
N3	C9	O4	C10	36.1°	180.0°
O3	C9	O4	C10	108.3°	0.1°
O3	C9	N3	HN3	131.2°	180.0°
C9	O4	C10	C11	88.2°	180.0°
C9	O4	C10	H101	37.0°	59.9°
C9	O4	C10	H102	146.5°	60.1°
O4	C9	N3	HN3	11.0°	0.1°
C11	C10	O4	H101	125.2°	120.0°
C11	C10	O4	H102	125.3°	119.9°
C11	C10	H101	H102	116.8°	120.0°
C10	C11	C12	C16	179.0°	179.7°
C10	C11	C12	C13	179.5°	180.0°
C10	C11	C12	H12	0.4°	0.0°
C10	C11	C16	C15	179.5°	179.8°
C10	C11	C16	H16	0.5°	0.3°
O4	C10	H101	H102	116.8°	120.0°
O4	C10	C11	C12	149.5°	90.0°
O4	C10	C11	C16	31.5°	90.2°
H101	C10	C11	C12	85.2°	30.0°
H101	C10	C11	C16	93.7°	149.7°
H102	C10	C11	C12	24.2°	150.0°
H102	C10	C11	C16	156.8°	29.7°
C11	C12	C13	H12	179.9°	180.0°
C11	C12	C13	C14	0.6°	0.0°
C11	C12	C13	H13	179.5°	179.9°
C12	C11	C16	C15	0.5°	0.5°
C12	C11	C16	H16	179.5°	180.0°
C16	C11	C12	C13	0.5°	0.3°
C16	C11	C12	H12	179.4°	179.7°
C11	C16	C15	C14	0.6°	0.5°
C11	C16	C15	H16	180.0°	179.5°
C11	C16	C15	H15	179.5°	179.7°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.7°	0.0°
C12	C13	C14	H14	179.3°	180.0°
H12	C12	C13	C14	179.3°	180.0°
H12	C12	C13	H13	0.6°	0.0°
C13	C14	C15	H14	179.9°	179.9°
C13	C14	C15	C16	0.7°	0.2°
C13	C14	C15	H15	179.4°	180.0°
H13	C13	C14	C15	179.4°	180.0°
H13	C13	C14	H14	0.7°	0.0°
C14	C15	C16	H15	180.0°	179.8°
C14	C15	C16	H16	179.4°	179.9°
H14	C14	C15	C16	179.3°	179.8°
H14	C14	C15	H15	0.7°	0.0°
H15	C15	C16	H16	0.5°	0.2°
O1P	P	O2P	O3P	106.8°	119.9°
O1P	P	O2P	HOP2	54.3°	59.9°
O1P	P	O3P	HOP3	63.1°	179.9°
O2P	P	O3P	HOP3	52.8°	60.0°
HOP2	O2P	P	O3P	52.5°	60.0°

Definition date:	1999-07-08
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	1MAX