GF8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C03 | C02 | sing | 1.53Å | 1.53Å | |
C03 | N04 | sing | 1.46Å | 1.45Å | |
C02 | S01 | sing | 1.81Å | 1.81Å | |
N04 | C05 | sing | 1.35Å | 1.33Å | |
O06 | C05 | doub | 1.21Å | 1.22Å | |
C05 | C07 | sing | 1.51Å | 1.52Å | |
C07 | C08 | sing | 1.51Å | 1.52Å | |
C08 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | CL2 | sing | 1.74Å | 1.79Å | |
C13 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C11 | CL1 | sing | 1.74Å | 1.79Å | |
C15 | H1 | sing | 1.08Å | 1.08Å | |
C02 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C09 | H8 | sing | 1.08Å | 1.08Å | |
C10 | H9 | sing | 1.08Å | 1.08Å | |
N04 | H10 | sing | 0.97Å | 1.00Å | |
S01 | H11 | sing | 1.35Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | C03 | N04 | 112.8° | 109.4° |
C03 | C02 | S01 | 110.5° | 109.5° |
C03 | C02 | H2 | 109.2° | 109.5° |
C03 | C02 | H3 | 109.2° | 109.5° |
C02 | C03 | H4 | 108.7° | 109.4° |
C02 | C03 | H5 | 108.6° | 109.5° |
C03 | N04 | C05 | 121.0° | 120.0° |
N04 | C03 | H4 | 108.6° | 109.5° |
N04 | C03 | H5 | 108.6° | 109.5° |
C03 | N04 | H10 | 119.5° | 120.0° |
S01 | C02 | H2 | 109.2° | 109.4° |
S01 | C02 | H3 | 109.2° | 109.4° |
C02 | S01 | H11 | 102.0° | 103.0° |
N04 | C05 | O06 | 122.0° | 120.0° |
N04 | C05 | C07 | 117.6° | 120.0° |
C05 | N04 | H10 | 119.5° | 120.0° |
O06 | C05 | C07 | 120.4° | 120.0° |
C05 | C07 | C08 | 111.8° | 109.5° |
C05 | C07 | H6 | 108.9° | 109.5° |
C05 | C07 | H7 | 108.9° | 109.5° |
C07 | C08 | C15 | 121.3° | 120.0° |
C07 | C08 | C09 | 119.0° | 120.0° |
C08 | C07 | H6 | 108.9° | 109.5° |
C08 | C07 | H7 | 108.9° | 109.5° |
C15 | C08 | C09 | 119.7° | 120.0° |
C08 | C15 | C13 | 119.0° | 120.0° |
C08 | C15 | H1 | 120.5° | 120.0° |
C08 | C09 | C10 | 121.1° | 120.1° |
C08 | C09 | H8 | 119.4° | 120.0° |
C15 | C13 | CL2 | 120.8° | 120.0° |
C15 | C13 | C11 | 121.1° | 120.0° |
C13 | C15 | H1 | 120.5° | 120.0° |
C09 | C10 | C11 | 118.9° | 119.9° |
C10 | C09 | H8 | 119.4° | 119.9° |
C09 | C10 | H9 | 120.6° | 120.0° |
CL2 | C13 | C11 | 118.1° | 120.0° |
C13 | C11 | C10 | 120.2° | 120.0° |
C13 | C11 | CL1 | 119.0° | 120.0° |
C10 | C11 | CL1 | 120.8° | 120.0° |
C11 | C10 | H9 | 120.6° | 120.0° |
H2 | C02 | H3 | 109.5° | 109.5° |
H4 | C03 | H5 | 109.5° | 109.5° |
H6 | C07 | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C03 | N04 | H4 | 120.5° | 120.0° |
C02 | C03 | N04 | H5 | 120.5° | 120.0° |
C03 | C02 | S01 | H2 | 120.2° | 120.1° |
C03 | C02 | S01 | H3 | 120.2° | 120.0° |
C02 | C03 | N04 | C05 | 93.5° | 180.0° |
C03 | C02 | H2 | H3 | 119.5° | 120.1° |
C02 | C03 | H4 | H5 | 118.5° | 120.0° |
C02 | C03 | N04 | H10 | 86.5° | 0.0° |
C03 | C02 | S01 | H11 | 180.0° | 180.0° |
N04 | C03 | C02 | S01 | 60.4° | 180.0° |
C03 | N04 | C05 | H10 | 180.0° | 180.0° |
C03 | N04 | C05 | O06 | 1.9° | 0.0° |
C03 | N04 | C05 | C07 | 177.9° | 180.0° |
N04 | C03 | C02 | H2 | 59.7° | 60.0° |
N04 | C03 | C02 | H3 | 179.4° | 60.0° |
N04 | C03 | H4 | H5 | 118.5° | 120.0° |
S01 | C02 | H2 | H3 | 119.5° | 119.9° |
S01 | C02 | C03 | H4 | 60.0° | 60.0° |
S01 | C02 | C03 | H5 | 179.1° | 60.0° |
N04 | C05 | O06 | C07 | 179.8° | 180.0° |
N04 | C05 | C07 | C08 | 57.9° | 180.0° |
C05 | N04 | C03 | H4 | 146.0° | 60.0° |
C05 | N04 | C03 | H5 | 27.0° | 60.1° |
N04 | C05 | C07 | H6 | 62.4° | 60.0° |
N04 | C05 | C07 | H7 | 178.2° | 60.1° |
O06 | C05 | C07 | C08 | 122.2° | 0.0° |
O06 | C05 | C07 | H6 | 117.4° | 120.0° |
O06 | C05 | C07 | H7 | 1.9° | 120.0° |
O06 | C05 | N04 | H10 | 178.0° | 180.0° |
C05 | C07 | C08 | H6 | 120.3° | 120.0° |
C05 | C07 | C08 | H7 | 120.4° | 120.0° |
C05 | C07 | C08 | C15 | 29.9° | 90.0° |
C05 | C07 | C08 | C09 | 149.8° | 89.9° |
C05 | C07 | H6 | H7 | 118.9° | 120.0° |
C07 | C05 | N04 | H10 | 2.1° | 0.0° |
C07 | C08 | C15 | C09 | 179.7° | 179.9° |
C07 | C08 | C15 | C13 | 179.7° | 179.9° |
C07 | C08 | C09 | C10 | 179.8° | 180.0° |
C07 | C08 | C15 | H1 | 0.3° | 0.1° |
C08 | C07 | H6 | H7 | 118.9° | 120.0° |
C07 | C08 | C09 | H8 | 0.2° | 0.1° |
C08 | C15 | C13 | H1 | 180.0° | 179.9° |
C15 | C08 | C09 | C10 | 0.5° | 0.1° |
C08 | C15 | C13 | CL2 | 179.9° | 180.0° |
C08 | C15 | C13 | C11 | 0.2° | 0.4° |
C15 | C08 | C07 | H6 | 150.2° | 30.0° |
C15 | C08 | C07 | H7 | 90.5° | 150.0° |
C15 | C08 | C09 | H8 | 179.5° | 180.0° |
C09 | C08 | C15 | C13 | 0.0° | 0.1° |
C08 | C09 | C10 | H8 | 180.0° | 179.9° |
C08 | C09 | C10 | C11 | 0.8° | 0.4° |
C09 | C08 | C15 | H1 | 180.0° | 180.0° |
C09 | C08 | C07 | H6 | 29.4° | 150.0° |
C09 | C08 | C07 | H7 | 89.9° | 30.0° |
C08 | C09 | C10 | H9 | 179.2° | 180.0° |
C15 | C13 | CL2 | C11 | 179.9° | 179.7° |
C15 | C13 | C11 | C10 | 0.1° | 0.6° |
C15 | C13 | C11 | CL1 | 179.9° | 179.7° |
C09 | C10 | C11 | C13 | 0.6° | 0.6° |
C09 | C10 | C11 | H9 | 180.0° | 179.7° |
C09 | C10 | C11 | CL1 | 179.4° | 179.7° |
CL2 | C13 | C11 | C10 | 179.8° | 179.7° |
CL2 | C13 | C11 | CL1 | 0.2° | 0.0° |
CL2 | C13 | C15 | H1 | 0.1° | 0.1° |
C13 | C11 | C10 | CL1 | 180.0° | 179.7° |
C11 | C13 | C15 | H1 | 179.8° | 179.7° |
C13 | C11 | C10 | H9 | 179.4° | 179.7° |
C11 | C10 | C09 | H8 | 179.2° | 179.8° |
CL1 | C11 | C10 | H9 | 0.6° | 0.0° |
H2 | C02 | C03 | H4 | 179.8° | 60.0° |
H2 | C02 | C03 | H5 | 60.7° | 180.0° |
H2 | C02 | S01 | H11 | 59.8° | 59.9° |
H3 | C02 | C03 | H4 | 60.1° | 179.9° |
H3 | C02 | C03 | H5 | 58.9° | 59.9° |
H3 | C02 | S01 | H11 | 59.8° | 60.0° |
H4 | C03 | N04 | H10 | 34.0° | 120.0° |
H5 | C03 | N04 | H10 | 153.0° | 120.0° |
H8 | C09 | C10 | H9 | 0.8° | 0.1° |