SZN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C10	doub	1.21Å	1.21Å
C	C1	sing	1.51Å	1.47Å
C10	C11	sing	1.51Å	1.53Å
C10	N1	sing	1.34Å	1.40Å
C1	C2	doub	1.38Å	1.35Å	Aromatic
C1	C6	sing	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.54Å	1.53Å
C2	C3	sing	1.38Å	1.37Å	Aromatic
C6	C5	doub	1.40Å	1.40Å	Aromatic
N	C8	sing	1.47Å	1.48Å
N	C7	sing	1.35Å	1.38Å
C9	N1	sing	1.46Å	1.49Å
C9	C8	sing	1.53Å	1.56Å
N1	C13	sing	1.34Å	1.41Å
C3	C4	doub	1.38Å	1.36Å	Aromatic
C5	C4	sing	1.40Å	1.40Å	Aromatic
C5	C7	sing	1.48Å	1.49Å
C7	O	doub	1.21Å	1.20Å
C12	C13	sing	1.51Å	1.51Å
C13	O2	doub	1.21Å	1.19Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
N	H9	sing	0.97Å	1.00Å
C3	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C10	C11	128.6°	125.4°
O1	C10	N1	122.8°	125.4°
C	C1	C2	119.0°	119.9°
C	C1	C6	121.3°	119.9°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.5°	109.5°
C1	C	H14	109.5°	109.5°
C11	C10	N1	108.6°	109.2°
C10	C11	C12	105.3°	103.5°
C10	C11	H6	110.5°	110.6°
C10	C11	H16	110.5°	110.6°
C10	N1	C9	125.3°	122.7°
C10	N1	C13	111.4°	114.5°
C2	C1	C6	119.6°	120.2°
C1	C2	C3	121.9°	120.3°
C1	C2	H11	119.1°	119.8°
C1	C6	C5	118.9°	119.9°
C1	C6	H2	120.5°	120.1°
C11	C12	C13	104.7°	103.6°
C11	C12	H5	110.6°	110.6°
C12	C11	H6	110.5°	110.7°
C11	C12	H15	110.7°	110.7°
C12	C11	H16	110.5°	110.6°
C2	C3	C4	120.7°	120.1°
C2	C3	H10	119.7°	120.0°
C3	C2	H11	119.1°	119.9°
C6	C5	C4	120.2°	119.7°
C6	C5	C7	123.7°	120.2°
C5	C6	H2	120.6°	120.0°
C8	N	C7	123.8°	120.0°
N	C8	C9	106.8°	109.5°
N	C8	H3	110.1°	109.5°
N	C8	H4	110.1°	109.4°
C8	N	H9	118.1°	119.9°
N	C7	C5	117.8°	120.0°
N	C7	O	121.2°	120.0°
C7	N	H9	118.1°	120.1°
N1	C9	C8	115.4°	109.5°
C9	N1	C13	123.3°	122.8°
N1	C9	H7	108.0°	109.5°
N1	C9	H8	108.0°	109.4°
C9	C8	H3	110.1°	109.5°
C9	C8	H4	110.2°	109.5°
C8	C9	H7	108.0°	109.5°
C8	C9	H8	108.0°	109.5°
N1	C13	C12	109.9°	109.2°
N1	C13	O2	122.2°	125.4°
C3	C4	C5	118.8°	119.9°
C3	C4	H1	120.6°	120.1°
C4	C3	H10	119.7°	119.9°
C4	C5	C7	116.2°	120.2°
C5	C4	H1	120.6°	120.0°
C5	C7	O	121.1°	120.0°
C12	C13	O2	127.9°	125.4°
C13	C12	H5	110.6°	110.6°
C13	C12	H15	110.7°	110.6°
H3	C8	H4	109.5°	109.5°
H5	C12	H15	109.5°	110.5°
H6	C11	H16	109.5°	110.7°
H7	C9	H8	109.5°	109.4°
H12	C	H13	109.4°	109.5°
H12	C	H14	109.5°	109.4°
H13	C	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C10	C11	N1	179.2°	180.0°
O1	C10	C11	C12	176.4°	180.0°
O1	C10	N1	C9	3.4°	0.3°
O1	C10	N1	C13	177.8°	180.0°
O1	C10	C11	H6	57.0°	61.5°
O1	C10	C11	H16	64.3°	61.5°
C	C1	C2	C6	179.1°	179.8°
C	C1	C2	C3	179.8°	180.0°
C	C1	C6	C5	179.6°	180.0°
C	C1	C6	H2	0.4°	0.1°
C	C1	C2	H11	0.2°	0.1°
C1	C	H12	H13	120.0°	120.1°
C1	C	H12	H14	120.0°	120.0°
C1	C	H13	H14	120.0°	120.0°
C10	C11	C12	H6	119.4°	118.5°
C10	C11	C12	H16	119.3°	118.5°
C11	C10	N1	C9	177.4°	179.7°
C11	C10	N1	C13	1.4°	0.0°
C10	C11	C12	C13	3.1°	0.0°
C10	C11	C12	H5	116.1°	118.6°
C10	C11	H6	H16	121.9°	122.9°
C10	C11	C12	H15	122.3°	118.6°
N1	C10	C11	C12	2.8°	0.0°
C10	N1	C9	C13	178.6°	179.7°
C10	N1	C9	C8	99.0°	89.8°
C10	N1	C13	C12	0.7°	0.0°
C10	N1	C13	O2	179.4°	179.9°
N1	C10	C11	H6	122.2°	118.5°
C10	N1	C9	H7	140.1°	30.3°
C10	N1	C9	H8	21.9°	150.2°
N1	C10	C11	H16	116.5°	118.5°
C1	C2	C3	H11	180.0°	179.9°
C2	C1	C6	C5	0.5°	0.2°
C1	C2	C3	C4	0.6°	0.0°
C2	C1	C6	H2	179.5°	179.8°
C1	C2	C3	H10	179.3°	180.0°
C2	C1	C	H12	90.5°	90.0°
C2	C1	C	H13	149.6°	150.0°
C2	C1	C	H14	29.6°	30.0°
C6	C1	C2	C3	1.1°	0.2°
C1	C6	C5	H2	180.0°	180.0°
C1	C6	C5	C4	0.6°	0.0°
C1	C6	C5	C7	178.8°	180.0°
C6	C1	C2	H11	178.9°	179.7°
C6	C1	C	H12	90.5°	90.2°
C6	C1	C	H13	29.5°	29.8°
C6	C1	C	H14	149.5°	149.8°
C11	C12	C13	N1	2.4°	0.0°
C11	C12	C13	H5	119.2°	118.6°
C11	C12	C13	H15	119.3°	118.6°
C11	C12	C13	O2	179.0°	179.9°
C11	C12	H5	H15	122.2°	123.0°
C12	C11	H6	H16	121.9°	123.0°
C2	C3	C4	H10	180.0°	180.0°
C2	C3	C4	C5	0.5°	0.2°
C2	C3	C4	H1	179.5°	180.0°
C6	C5	C7	N	29.3°	180.0°
C6	C5	C4	C3	1.1°	0.2°
C6	C5	C4	C7	179.4°	180.0°
C6	C5	C7	O	152.6°	0.0°
C6	C5	C4	H1	178.9°	180.0°
C8	N	C7	H9	180.0°	180.0°
N	C8	C9	N1	172.7°	180.0°
N	C8	C9	H3	119.6°	120.0°
N	C8	C9	H4	119.6°	119.9°
C8	N	C7	C5	179.5°	180.0°
C8	N	C7	O	2.4°	0.0°
N	C8	H3	H4	121.2°	120.0°
N	C8	C9	H7	66.4°	60.0°
N	C8	C9	H8	51.8°	60.0°
C7	N	C8	C9	136.2°	180.0°
N	C7	C5	C4	150.1°	0.0°
N	C7	C5	O	178.1°	179.9°
C7	N	C8	H3	16.6°	60.0°
C7	N	C8	H4	104.2°	60.0°
N1	C9	C8	H7	120.8°	120.0°
N1	C9	C8	H8	120.9°	120.0°
C9	N1	C13	C12	179.5°	179.7°
C9	N1	C13	O2	1.9°	0.3°
N1	C9	C8	H3	67.7°	60.0°
N1	C9	C8	H4	53.1°	60.1°
N1	C9	H7	H8	117.3°	119.9°
C8	C9	N1	C13	82.4°	90.0°
C9	C8	H3	H4	121.2°	120.0°
C8	C9	H7	H8	117.3°	120.0°
C9	C8	N	H9	43.9°	0.0°
N1	C13	C12	O2	178.6°	180.0°
N1	C13	C12	H5	116.8°	118.6°
C13	N1	C9	H7	38.5°	150.0°
C13	N1	C9	H8	156.8°	30.0°
N1	C13	C12	H15	121.7°	118.7°
C3	C4	C5	H1	180.0°	179.8°
C3	C4	C5	C7	178.3°	179.8°
C4	C3	C2	H11	179.4°	179.9°
C4	C5	C7	O	28.1°	180.0°
C4	C5	C6	H2	179.4°	180.0°
C5	C4	C3	H10	179.5°	179.8°
C7	C5	C4	H1	1.7°	0.1°
C7	C5	C6	H2	1.2°	0.0°
C5	C7	N	H9	0.5°	0.0°
O	C7	N	H9	177.6°	180.0°
C13	C12	H5	H15	122.2°	122.9°
C13	C12	C11	H6	122.4°	118.5°
C13	C12	C11	H16	116.2°	118.5°
O2	C13	C12	H5	61.8°	61.5°
O2	C13	C12	H15	59.7°	61.3°
H1	C4	C3	H10	0.5°	0.0°
H3	C8	C9	H7	53.1°	180.0°
H3	C8	C9	H8	171.4°	60.0°
H3	C8	N	H9	163.4°	120.0°
H4	C8	C9	H7	174.0°	60.0°
H4	C8	C9	H8	67.8°	180.0°
H4	C8	N	H9	75.7°	120.0°
H5	C12	C11	H6	3.2°	122.9°
H5	C12	C11	H16	124.5°	0.1°
H6	C11	C12	H15	118.3°	0.1°
H10	C3	C2	H11	0.7°	0.1°
H12	C	H13	H14	120.0°	119.9°
H15	C12	C11	H16	3.0°	122.9°

Release date:	2020-12-23
Definition date:	2020-12-08
Last modified:	2020-12-18
Release status:	REL
Processing site:	PDBE
Derived from:	7B6M