SDZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.36Å	Aromatic
N1	C6	sing	1.32Å	1.31Å	Aromatic
C2	C3	sing	1.38Å	1.35Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.39Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	N2	sing	1.39Å	1.39Å
N2	C7	sing	1.47Å	1.46Å
N2	C9	sing	1.47Å	1.47Å
C7	C8	sing	1.53Å	1.52Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	N3	sing	1.47Å	1.47Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
N3	C10	sing	1.47Å	1.48Å
N3	C11	sing	1.47Å	1.54Å
C9	C10	sing	1.53Å	1.51Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.11Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.11Å
C11	C12	sing	1.53Å	1.54Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.12Å
C12	O1	sing	1.43Å	1.43Å
C12	C13	sing	1.53Å	1.54Å
C12	H12	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å
C13	O2	sing	1.43Å	1.43Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.11Å
O2	C14	sing	1.36Å	1.43Å
C14	C15	doub	1.39Å	1.36Å	Aromatic
C14	C19	sing	1.39Å	1.38Å	Aromatic
C15	C16	sing	1.38Å	1.41Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	C17	doub	1.38Å	1.42Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	C18	sing	1.38Å	1.38Å	Aromatic
C17	C20	sing	1.51Å	1.54Å
C18	C19	doub	1.38Å	1.42Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C19	H19	sing	1.08Å	1.10Å
C20	C21	sing	1.53Å	1.54Å
C20	C25	sing	1.53Å	1.54Å
C20	H20	sing	1.09Å	1.11Å
C21	C22	sing	1.53Å	1.54Å
C21	H211	sing	1.09Å	1.12Å
C21	H212	sing	1.09Å	1.12Å
C22	C23	sing	1.53Å	1.54Å
C22	H221	sing	1.09Å	1.12Å
C22	H222	sing	1.09Å	1.11Å
C23	C24	sing	1.53Å	1.54Å
C23	H231	sing	1.09Å	1.12Å
C23	H232	sing	1.09Å	1.11Å
C24	C25	sing	1.53Å	1.55Å
C24	H241	sing	1.09Å	1.12Å
C24	H242	sing	1.09Å	1.11Å
C25	H251	sing	1.09Å	1.12Å
C25	H252	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	119.5°	121.6°
N1	C2	C3	122.5°	120.8°
N1	C2	H2	119.2°	119.5°
N1	C6	C5	121.7°	120.6°
N1	C6	N2	116.5°	119.7°
C3	C2	H2	118.3°	119.6°
C2	C3	C4	118.4°	119.3°
C2	C3	H3	119.2°	120.3°
C4	C3	H3	122.4°	120.3°
C3	C4	C5	119.4°	118.5°
C3	C4	H4	120.9°	120.8°
C5	C4	H4	119.7°	120.7°
C4	C5	C6	118.2°	119.1°
C4	C5	H5	119.9°	120.4°
C6	C5	H5	121.9°	120.5°
C5	C6	N2	121.8°	119.7°
C6	N2	C7	119.2°	106.7°
C6	N2	C9	116.0°	106.7°
C7	N2	C9	110.4°	106.9°
N2	C7	C8	109.7°	109.7°
N2	C7	H71	112.1°	109.4°
N2	C7	H72	112.1°	109.4°
N2	C9	C10	109.3°	109.6°
N2	C9	H91	112.3°	109.4°
N2	C9	H92	112.3°	109.4°
C8	C7	H71	112.1°	109.5°
C8	C7	H72	112.1°	109.5°
C7	C8	N3	111.3°	109.6°
C7	C8	H81	111.6°	109.4°
C7	C8	H82	111.6°	109.4°
H71	C7	H72	98.3°	109.4°
N3	C8	H81	111.5°	109.5°
N3	C8	H82	111.6°	109.4°
C8	N3	C10	108.5°	106.9°
C8	N3	C11	108.6°	106.7°
H81	C8	H82	98.8°	109.4°
C10	N3	C11	110.3°	106.7°
N3	C10	C9	111.1°	109.6°
N3	C10	H101	111.6°	109.5°
N3	C10	H102	111.6°	109.4°
N3	C11	C12	109.5°	109.5°
N3	C11	H111	112.2°	109.5°
N3	C11	H112	112.2°	109.4°
C10	C9	H91	112.3°	109.4°
C10	C9	H92	112.2°	109.4°
C9	C10	H101	111.6°	109.4°
C9	C10	H102	111.6°	109.5°
H91	C9	H92	98.2°	109.5°
H101	C10	H102	98.7°	109.4°
C12	C11	H111	112.2°	109.5°
C12	C11	H112	112.2°	109.5°
C11	C12	O1	109.4°	109.4°
C11	C12	C13	109.5°	109.5°
C11	C12	H12	109.5°	109.5°
H111	C11	H112	98.2°	109.4°
O1	C12	C13	109.6°	109.5°
O1	C12	H12	109.5°	109.4°
C12	O1	HO1	109.4°	106.8°
C13	C12	H12	109.4°	109.5°
C12	C13	O2	109.5°	109.5°
C12	C13	H131	112.2°	109.5°
C12	C13	H132	112.3°	109.5°
O2	C13	H131	112.2°	109.4°
O2	C13	H132	112.2°	109.4°
C13	O2	C14	109.5°	106.8°
H131	C13	H132	98.1°	109.5°
O2	C14	C15	119.2°	120.0°
O2	C14	C19	119.2°	120.1°
C15	C14	C19	121.6°	119.9°
C14	C15	C16	120.8°	119.9°
C14	C15	H15	117.8°	120.0°
C14	C19	C18	117.9°	120.0°
C14	C19	H19	119.5°	120.0°
C16	C15	H15	121.4°	120.1°
C15	C16	C17	119.3°	120.1°
C15	C16	H16	120.2°	120.0°
C17	C16	H16	120.5°	119.9°
C16	C17	C18	118.3°	120.0°
C16	C17	C20	120.9°	120.0°
C18	C17	C20	120.8°	120.0°
C17	C18	C19	122.1°	120.1°
C17	C18	H18	117.4°	119.9°
C17	C20	C21	109.5°	109.5°
C17	C20	C25	109.5°	109.5°
C17	C20	H20	109.3°	109.5°
C19	C18	H18	120.5°	120.0°
C18	C19	H19	122.6°	120.0°
C21	C20	C25	109.3°	109.5°
C21	C20	H20	109.6°	109.4°
C20	C21	C22	109.7°	109.5°
C20	C21	H211	112.1°	109.5°
C20	C21	H212	112.1°	109.5°
C25	C20	H20	109.5°	109.4°
C20	C25	C24	109.5°	109.5°
C20	C25	H251	112.2°	109.4°
C20	C25	H252	112.2°	109.5°
C22	C21	H211	112.2°	109.5°
C22	C21	H212	112.2°	109.4°
C21	C22	C23	109.3°	109.5°
C21	C22	H221	112.2°	109.4°
C21	C22	H222	112.3°	109.4°
H211	C21	H212	98.3°	109.4°
C23	C22	H221	112.2°	109.5°
C23	C22	H222	112.3°	109.5°
C22	C23	C24	109.6°	109.4°
C22	C23	H231	112.2°	109.5°
C22	C23	H232	112.2°	109.5°
H221	C22	H222	98.2°	109.5°
C24	C23	H231	112.1°	109.4°
C24	C23	H232	112.2°	109.5°
C23	C24	C25	109.5°	109.5°
C23	C24	H241	112.2°	109.5°
C23	C24	H242	112.2°	109.5°
H231	C23	H232	98.2°	109.5°
C25	C24	H241	112.2°	109.4°
C25	C24	H242	112.2°	109.5°
C24	C25	H251	112.2°	109.5°
C24	C25	H252	112.2°	109.5°
H241	C24	H242	98.2°	109.4°
H251	C25	H252	98.2°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C3	H2	180.0°	179.7°
N1	C2	C3	C4	4.6°	0.2°
N1	C2	C3	H3	175.4°	179.7°
C2	N1	C6	C5	3.4°	0.6°
C2	N1	C6	N2	175.5°	179.7°
C6	N1	C2	C3	1.0°	0.6°
C6	N1	C2	H2	179.0°	179.7°
N1	C6	C5	C4	4.1°	0.3°
N1	C6	C5	N2	178.9°	179.8°
N1	C6	C5	H5	175.9°	179.7°
N1	C6	N2	C7	117.8°	0.2°
N1	C6	N2	C9	18.0°	114.3°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	3.8°	0.1°
C2	C3	C4	H4	176.3°	180.0°
H2	C2	C3	C4	175.4°	180.0°
H2	C2	C3	H3	4.6°	0.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.4°	0.1°
C3	C4	C5	H5	179.6°	180.0°
H3	C3	C4	C5	176.2°	180.0°
H3	C3	C4	H4	3.8°	0.1°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	N2	174.8°	180.0°
H4	C4	C5	C6	179.6°	180.0°
H4	C4	C5	H5	0.4°	0.0°
C5	C6	N2	C7	63.3°	180.0°
C5	C6	N2	C9	160.9°	66.0°
H5	C5	C6	N2	5.2°	0.0°
C6	N2	C7	C9	138.0°	113.9°
C6	N2	C7	C8	163.4°	175.1°
C6	N2	C7	H71	38.2°	64.8°
C6	N2	C7	H72	71.3°	55.0°
C6	N2	C9	C10	161.6°	175.1°
C6	N2	C9	H91	73.1°	64.9°
C6	N2	C9	H92	36.4°	55.1°
N2	C7	C8	H71	125.2°	120.1°
N2	C7	C8	H72	125.3°	120.0°
N2	C7	H71	H72	118.1°	119.8°
N2	C7	C8	N3	58.6°	63.0°
N2	C7	C8	H81	66.6°	57.1°
N2	C7	C8	H82	176.1°	177.0°
C7	N2	C9	C10	58.9°	61.2°
C7	N2	C9	H91	66.3°	178.8°
C7	N2	C9	H92	175.9°	58.8°
C9	N2	C7	C8	58.6°	61.2°
C9	N2	C7	H71	176.2°	178.7°
C9	N2	C7	H72	66.7°	58.9°
N2	C9	C10	N3	59.1°	62.9°
N2	C9	C10	H91	125.3°	120.0°
N2	C9	C10	H92	125.3°	120.0°
N2	C9	H91	H92	118.2°	119.9°
N2	C9	C10	H101	66.1°	177.0°
N2	C9	C10	H102	175.6°	57.1°
C8	C7	H71	H72	118.0°	120.0°
C7	C8	N3	H81	125.3°	120.1°
C7	C8	N3	H82	125.3°	120.0°
C7	C8	H81	H82	117.5°	119.9°
C7	C8	N3	C10	57.8°	61.2°
C7	C8	N3	C11	177.7°	175.1°
H71	C7	C8	N3	176.1°	177.0°
H71	C7	C8	H81	58.6°	62.9°
H71	C7	C8	H82	50.8°	57.0°
H72	C7	C8	N3	66.6°	57.1°
H72	C7	C8	H81	168.1°	177.2°
H72	C7	C8	H82	58.6°	62.9°
N3	C8	H81	H82	117.4°	119.9°
C8	N3	C10	C11	118.8°	113.9°
C8	N3	C10	C9	58.2°	61.2°
C8	N3	C10	H101	67.0°	178.7°
C8	N3	C10	H102	176.5°	58.8°
C8	N3	C11	C12	124.3°	66.2°
C8	N3	C11	H111	110.4°	173.7°
C8	N3	C11	H112	1.0°	53.8°
H81	C8	N3	C10	67.5°	58.8°
H81	C8	N3	C11	52.4°	55.0°
H82	C8	N3	C10	176.9°	178.8°
H82	C8	N3	C11	57.0°	64.9°
N3	C10	C9	H101	125.3°	120.1°
N3	C10	C9	H102	125.3°	120.0°
N3	C10	C9	H91	66.2°	177.0°
N3	C10	C9	H92	175.6°	57.1°
N3	C10	H101	H102	117.5°	119.9°
C10	N3	C11	C12	116.9°	179.8°
C10	N3	C11	H111	8.4°	59.7°
C10	N3	C11	H112	117.8°	60.2°
C11	N3	C10	C9	177.1°	175.1°
C11	N3	C10	H101	51.8°	64.9°
C11	N3	C10	H102	57.6°	55.0°
N3	C11	C12	H111	125.3°	120.0°
N3	C11	C12	H112	125.3°	120.0°
N3	C11	H111	H112	118.1°	119.9°
N3	C11	C12	O1	62.1°	59.5°
N3	C11	C12	C13	177.8°	179.5°
N3	C11	C12	H12	57.9°	60.4°
C10	C9	H91	H92	118.1°	119.9°
C9	C10	H101	H102	117.5°	119.9°
H91	C9	C10	H101	168.6°	57.0°
H91	C9	C10	H102	59.1°	62.9°
H92	C9	C10	H101	59.1°	63.0°
H92	C9	C10	H102	50.3°	177.1°
C12	C11	H111	H112	118.1°	120.0°
C11	C12	O1	C13	120.0°	120.0°
C11	C12	O1	H12	120.0°	120.0°
C11	C12	C13	H12	120.0°	120.1°
C11	C12	O1	HO1	179.9°	60.0°
C11	C12	C13	O2	83.5°	180.0°
C11	C12	C13	H131	41.8°	60.0°
C11	C12	C13	H132	151.2°	60.0°
H111	C11	C12	O1	172.6°	60.5°
H111	C11	C12	C13	52.5°	59.5°
H111	C11	C12	H12	67.4°	179.5°
H112	C11	C12	O1	63.2°	179.5°
H112	C11	C12	C13	56.9°	60.5°
H112	C11	C12	H12	176.8°	59.6°
O1	C12	C13	H12	120.0°	119.9°
O1	C12	C13	O2	156.5°	60.0°
O1	C12	C13	H131	78.2°	180.0°
O1	C12	C13	H132	31.2°	60.0°
C13	C12	O1	HO1	59.9°	60.0°
C12	C13	O2	H131	125.3°	120.0°
C12	C13	O2	H132	125.3°	120.0°
C12	C13	H131	H132	118.1°	120.0°
C12	C13	O2	C14	131.5°	180.0°
H12	C12	O1	HO1	60.1°	180.0°
H12	C12	C13	O2	36.5°	59.9°
H12	C12	C13	H131	161.8°	60.1°
H12	C12	C13	H132	88.8°	179.9°
O2	C13	H131	H132	118.1°	119.9°
C13	O2	C14	C15	78.6°	180.0°
C13	O2	C14	C19	101.4°	0.3°
H131	C13	O2	C14	103.3°	60.0°
H132	C13	O2	C14	6.1°	60.0°
O2	C14	C15	C19	180.0°	179.7°
O2	C14	C15	C16	178.8°	180.0°
O2	C14	C15	H15	1.2°	0.0°
O2	C14	C19	C18	177.0°	179.7°
O2	C14	C19	H19	3.0°	0.3°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	C17	1.6°	0.0°
C14	C15	C16	H16	178.4°	179.9°
C15	C14	C19	C18	3.1°	0.5°
C15	C14	C19	H19	176.9°	180.0°
C19	C14	C15	C16	1.3°	0.2°
C19	C14	C15	H15	178.8°	179.7°
C14	C19	C18	C17	2.1°	0.6°
C14	C19	C18	H19	180.0°	179.4°
C14	C19	C18	H18	177.8°	179.7°
C15	C16	C17	H16	180.0°	179.9°
C15	C16	C17	C18	2.5°	0.0°
C15	C16	C17	C20	177.4°	180.0°
H15	C15	C16	C17	178.4°	180.0°
H15	C15	C16	H16	1.6°	0.0°
C16	C17	C18	C20	179.9°	180.0°
C16	C17	C18	C19	0.6°	0.3°
C16	C17	C18	H18	179.5°	179.9°
C16	C17	C20	C21	9.0°	120.0°
C16	C17	C20	C25	128.9°	119.9°
C16	C17	C20	H20	111.1°	0.0°
H16	C16	C17	C18	177.6°	180.0°
H16	C16	C17	C20	2.6°	0.1°
C17	C18	C19	H18	179.9°	179.8°
C17	C18	C19	H19	177.9°	180.0°
C18	C17	C20	C21	170.9°	60.0°
C18	C17	C20	C25	50.9°	60.0°
C18	C17	C20	H20	69.1°	180.0°
C20	C17	C18	C19	179.3°	179.7°
C20	C17	C18	H18	0.7°	0.1°
C17	C20	C21	C25	120.1°	120.1°
C17	C20	C21	H20	119.9°	120.0°
C17	C20	C25	H20	119.9°	120.0°
C17	C20	C21	C22	180.0°	180.0°
C17	C20	C21	H211	54.7°	60.0°
C17	C20	C21	H212	54.7°	60.0°
C17	C20	C25	C24	179.8°	180.0°
C17	C20	C25	H251	54.8°	60.0°
C17	C20	C25	H252	54.6°	59.9°
H18	C18	C19	H19	2.2°	0.2°
C21	C20	C25	H20	120.1°	119.9°
C20	C21	C22	H211	125.2°	120.1°
C20	C21	C22	H212	125.2°	120.0°
C20	C21	H211	H212	118.0°	120.0°
C20	C21	C22	C23	60.0°	60.0°
C20	C21	C22	H221	174.8°	60.1°
C20	C21	C22	H222	65.3°	180.0°
C21	C20	C25	C24	59.8°	59.9°
C21	C20	C25	H251	174.9°	60.1°
C21	C20	C25	H252	65.5°	180.0°
C25	C20	C21	C22	60.0°	59.9°
C25	C20	C21	H211	65.3°	180.0°
C25	C20	C21	H212	174.8°	60.1°
C20	C25	C24	C23	60.0°	60.0°
C20	C25	C24	H251	125.3°	119.9°
C20	C25	C24	H252	125.3°	120.1°
C20	C25	C24	H241	174.7°	60.1°
C20	C25	C24	H242	65.3°	180.0°
C20	C25	H251	H252	118.1°	120.0°
H20	C20	C21	C22	60.1°	60.0°
H20	C20	C21	H211	174.6°	60.1°
H20	C20	C21	H212	65.2°	179.9°
H20	C20	C25	C24	60.3°	60.0°
H20	C20	C25	H251	65.0°	180.0°
H20	C20	C25	H252	174.4°	60.1°
C22	C21	H211	H212	118.1°	119.9°
C21	C22	C23	H221	125.2°	120.0°
C21	C22	C23	H222	125.3°	120.0°
C21	C22	H221	H222	118.2°	119.9°
C21	C22	C23	C24	60.0°	60.0°
C21	C22	C23	H231	65.2°	180.0°
C21	C22	C23	H232	174.7°	60.0°
H211	C21	C22	C23	65.3°	180.0°
H211	C21	C22	H221	59.9°	60.0°
H211	C21	C22	H222	169.5°	59.9°
H212	C21	C22	C23	174.8°	60.0°
H212	C21	C22	H221	49.6°	179.9°
H212	C21	C22	H222	60.0°	60.0°
C23	C22	H221	H222	118.2°	120.1°
C22	C23	C24	H231	125.2°	120.0°
C22	C23	C24	H232	125.3°	120.0°
C22	C23	H231	H232	118.1°	120.0°
C22	C23	C24	C25	60.1°	60.0°
C22	C23	C24	H241	174.7°	60.0°
C22	C23	C24	H242	65.2°	180.0°
H221	C22	C23	C24	174.8°	60.0°
H221	C22	C23	H231	60.0°	60.0°
H221	C22	C23	H232	49.5°	180.0°
H222	C22	C23	C24	65.2°	180.0°
H222	C22	C23	H231	169.6°	60.0°
H222	C22	C23	H232	60.1°	60.0°
C24	C23	H231	H232	118.1°	120.0°
C23	C24	C25	H241	125.2°	120.1°
C23	C24	C25	H242	125.3°	120.0°
C23	C24	H241	H242	118.2°	120.0°
C23	C24	C25	H251	174.7°	59.9°
C23	C24	C25	H252	65.3°	179.9°
H231	C23	C24	C25	65.1°	180.0°
H231	C23	C24	H241	60.1°	60.0°
H231	C23	C24	H242	169.6°	60.0°
H232	C23	C24	C25	174.6°	60.0°
H232	C23	C24	H241	49.3°	180.0°
H232	C23	C24	H242	60.2°	60.0°
C25	C24	H241	H242	118.1°	119.9°
C24	C25	H251	H252	118.1°	120.1°
H241	C24	C25	H251	49.4°	180.0°
H241	C24	C25	H252	60.0°	60.0°
H242	C24	C25	H251	60.0°	60.1°
H242	C24	C25	H252	169.4°	59.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1HRV