H2C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	S23	sing	1.70Å	1.75Å	Aromatic
C24	C25	doub	1.33Å	1.40Å	Aromatic
S23	C11	sing	1.76Å	1.72Å	Aromatic
C25	C10	sing	1.38Å	1.40Å	Aromatic
C10	C11	doub	1.39Å	1.46Å	Aromatic
C10	N9	sing	1.41Å	1.36Å
C11	C12	sing	1.41Å	1.47Å
O15	S14	doub	1.42Å	1.43Å
C1	N9	sing	1.47Å	1.45Å
C1	C2	sing	1.51Å	1.51Å
N9	S14	sing	1.67Å	1.54Å
O17	C12	doub	1.22Å	1.22Å
C12	C13	sing	1.51Å	1.51Å
C7	C2	doub	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
S14	C13	sing	1.82Å	1.67Å
S14	O16	doub	1.42Å	1.44Å
C2	C3	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C5	F8	sing	1.35Å	1.35Å
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C24	H5	sing	1.08Å	1.08Å
C25	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S23	C24	C25	110.4°	111.3°
C24	S23	C11	95.1°	91.9°
S23	C24	H5	124.8°	124.3°
C24	C25	C10	111.5°	115.5°
C25	C24	H5	124.8°	124.4°
C24	C25	H6	124.3°	122.3°
S23	C11	C10	106.8°	108.8°
S23	C11	C12	125.1°	125.3°
C25	C10	C11	116.2°	112.5°
C25	C10	N9	124.0°	125.1°
C10	C25	H6	124.2°	122.2°
C11	C10	N9	119.8°	122.4°
C10	C11	C12	128.1°	125.9°
C10	N9	C1	117.6°	121.9°
C10	N9	S14	121.3°	116.1°
C11	C12	O17	122.2°	119.6°
C11	C12	C13	114.6°	120.9°
O15	S14	N9	106.7°	104.5°
O15	S14	C13	108.9°	110.8°
O15	S14	O16	109.0°	121.3°
N9	C1	C2	117.4°	109.5°
C1	N9	S14	120.9°	122.0°
N9	C1	H8	107.5°	109.5°
N9	C1	H9	107.4°	109.5°
C1	C2	C7	118.8°	120.0°
C1	C2	C3	121.4°	120.0°
C2	C1	H8	107.5°	109.5°
C2	C1	H9	107.5°	109.4°
N9	S14	C13	114.2°	102.9°
N9	S14	O16	109.6°	104.5°
O17	C12	C13	123.2°	119.5°
C12	C13	S14	115.7°	109.3°
C12	C13	H1	107.9°	109.5°
C12	C13	H2	107.9°	109.5°
C2	C7	C6	120.2°	120.1°
C7	C2	C3	119.8°	120.0°
C2	C7	H10	119.9°	120.0°
C7	C6	C5	120.0°	120.0°
C7	C6	H7	120.0°	120.0°
C6	C7	H10	119.9°	120.0°
C13	S14	O16	108.3°	110.8°
S14	C13	H1	107.9°	109.5°
S14	C13	H2	107.9°	109.5°
C2	C3	C4	120.1°	120.1°
C2	C3	H3	120.0°	120.0°
C6	C5	C4	120.0°	119.9°
C6	C5	F8	120.0°	120.0°
C5	C6	H7	120.0°	120.0°
C3	C4	C5	120.0°	120.0°
C4	C3	H3	120.0°	120.0°
C3	C4	H4	120.0°	120.1°
C4	C5	F8	120.0°	120.0°
C5	C4	H4	120.0°	120.0°
H1	C13	H2	109.5°	109.5°
H8	C1	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S23	C24	C25	H5	180.0°	179.9°
S23	C24	C25	C10	0.9°	0.1°
C24	S23	C11	C10	0.6°	0.6°
C24	S23	C11	C12	179.1°	179.2°
S23	C24	C25	H6	179.1°	179.9°
C25	C24	S23	C11	0.1°	0.3°
C24	C25	C10	H6	180.0°	180.0°
C24	C25	C10	C11	1.5°	0.6°
C24	C25	C10	N9	178.5°	178.8°
S23	C11	C10	C25	1.3°	0.8°
S23	C11	C10	C12	178.3°	179.8°
S23	C11	C10	N9	178.5°	178.7°
S23	C11	C12	O17	3.0°	2.7°
S23	C11	C12	C13	175.1°	177.3°
C11	S23	C24	H5	179.9°	179.6°
C25	C10	C11	N9	177.2°	179.5°
C25	C10	C11	C12	179.7°	179.0°
C25	C10	N9	C1	6.3°	27.1°
C25	C10	N9	S14	167.7°	153.0°
C10	C25	C24	H5	179.1°	179.9°
C11	C10	N9	C1	176.7°	153.5°
C11	C10	N9	S14	9.3°	26.4°
C10	C11	C12	O17	178.9°	177.5°
C10	C11	C12	C13	3.0°	2.5°
C11	C10	C25	H6	178.5°	179.4°
N9	C10	C11	C12	3.1°	1.5°
C10	N9	S14	O15	95.7°	164.0°
C10	N9	C1	S14	174.1°	180.0°
C10	N9	C1	C2	88.1°	85.0°
C10	N9	S14	C13	24.7°	48.2°
C10	N9	S14	O16	146.4°	67.6°
N9	C10	C25	H6	1.5°	1.1°
C10	N9	C1	H8	33.0°	35.0°
C10	N9	C1	H9	150.8°	155.0°
C11	C12	O17	C13	177.9°	180.0°
C11	C12	C13	S14	18.8°	29.5°
C11	C12	C13	H1	139.7°	90.5°
C11	C12	C13	H2	102.1°	149.4°
O15	S14	N9	C1	78.1°	16.0°
O15	S14	N9	C13	120.4°	115.8°
O15	S14	N9	O16	117.9°	128.4°
O15	S14	C13	C12	89.9°	159.6°
O15	S14	C13	O16	118.4°	137.5°
O15	S14	C13	H1	31.1°	39.6°
O15	S14	C13	H2	149.2°	80.5°
N9	C1	C2	H8	121.1°	120.0°
N9	C1	C2	H9	121.1°	120.0°
N9	C1	C2	C7	116.1°	89.5°
C1	N9	S14	C13	161.4°	131.8°
C1	N9	S14	O16	39.8°	112.4°
N9	C1	C2	C3	66.2°	90.0°
N9	C1	H8	H9	116.4°	120.0°
C2	C1	N9	S14	97.8°	94.9°
C1	C2	C7	C3	177.7°	179.4°
C1	C2	C7	C6	179.2°	179.9°
C1	C2	C3	C4	179.0°	179.9°
C1	C2	C3	H3	1.0°	0.3°
C2	C1	H8	H9	116.4°	120.0°
C1	C2	C7	H10	0.8°	0.6°
N9	S14	C13	C12	29.4°	48.4°
N9	S14	C13	O16	122.4°	111.2°
N9	S14	C13	H1	150.3°	71.6°
N9	S14	C13	H2	91.5°	168.3°
S14	N9	C1	H8	141.1°	145.0°
S14	N9	C1	H9	23.3°	25.0°
O17	C12	C13	S14	163.1°	150.5°
O17	C12	C13	H1	42.2°	89.5°
O17	C12	C13	H2	76.0°	30.6°
C12	C13	S14	H1	120.9°	120.0°
C12	C13	S14	H2	120.9°	119.9°
C12	C13	S14	O16	151.7°	62.9°
C12	C13	H1	H2	117.2°	120.1°
C2	C7	C6	H10	180.0°	179.5°
C2	C7	C6	C5	0.8°	0.3°
C7	C2	C3	C4	1.4°	0.5°
C7	C2	C3	H3	178.6°	179.7°
C2	C7	C6	H7	179.2°	179.7°
C7	C2	C1	H8	5.0°	30.6°
C7	C2	C1	H9	122.7°	150.6°
C6	C7	C2	C3	1.4°	0.5°
C7	C6	C5	H7	180.0°	180.0°
C7	C6	C5	C4	0.0°	0.0°
C7	C6	C5	F8	179.8°	180.0°
S14	C13	H1	H2	117.2°	120.1°
O16	S14	C13	H1	87.3°	177.2°
O16	S14	C13	H2	30.9°	57.1°
C2	C3	C4	H3	180.0°	179.8°
C2	C3	C4	C5	0.6°	0.2°
C2	C3	C4	H4	179.4°	179.8°
C3	C2	C1	H8	172.7°	150.0°
C3	C2	C1	H9	54.9°	30.0°
C3	C2	C7	H10	178.5°	180.0°
C6	C5	C4	C3	0.0°	0.1°
C6	C5	C4	F8	179.8°	180.0°
C6	C5	C4	H4	180.0°	180.0°
C5	C6	C7	H10	179.2°	179.7°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	F8	179.9°	180.0°
C5	C4	C3	H3	179.4°	180.0°
C4	C5	C6	H7	179.9°	180.0°
F8	C5	C4	H4	0.1°	0.0°
F8	C5	C6	H7	0.2°	0.0°
H3	C3	C4	H4	0.6°	0.0°
H5	C24	C25	H6	0.9°	0.0°
H7	C6	C7	H10	0.8°	0.2°

Release date:	2021-02-10
Definition date:	2020-10-26
Last modified:	2021-02-05
Release status:	REL
Processing site:	PDBJ
Derived from:	7DB4