8D6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O03 | C02 | doub | 1.22Å | 1.22Å | |
CL06 | C05 | sing | 1.74Å | 1.74Å | |
C02 | N01 | sing | 1.35Å | 1.42Å | |
C02 | C04 | sing | 1.47Å | 1.49Å | |
C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | N09 | sing | 1.38Å | 1.36Å | Aromatic |
C05 | C07 | sing | 1.41Å | 1.38Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
N09 | C08 | sing | 1.35Å | 1.36Å | Aromatic |
C12 | N13 | sing | 1.32Å | 1.36Å | Aromatic |
C07 | C10 | sing | 1.48Å | 1.50Å | |
C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
N13 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | H1 | sing | 1.08Å | 1.08Å | |
N01 | H2 | sing | 0.97Å | 1.00Å | |
N01 | H3 | sing | 0.97Å | 1.00Å | |
C08 | H4 | sing | 1.08Å | 1.08Å | |
N09 | H5 | sing | 0.97Å | 1.00Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C12 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O03 | C02 | N01 | 119.7° | 120.0° |
O03 | C02 | C04 | 122.3° | 120.0° |
CL06 | C05 | C04 | 124.3° | 126.5° |
CL06 | C05 | C07 | 127.5° | 126.6° |
N01 | C02 | C04 | 118.0° | 120.0° |
C02 | N01 | H2 | 120.0° | 120.1° |
C02 | N01 | H3 | 120.0° | 120.0° |
C02 | C04 | C05 | 127.6° | 126.0° |
C02 | C04 | N09 | 124.5° | 126.1° |
C05 | C04 | N09 | 107.9° | 108.0° |
C04 | C05 | C07 | 108.2° | 106.8° |
C04 | N09 | C08 | 108.6° | 109.1° |
C04 | N09 | H5 | 125.7° | 125.4° |
C05 | C07 | C10 | 130.4° | 126.3° |
C05 | C07 | C08 | 106.2° | 107.4° |
C12 | C11 | C10 | 119.4° | 119.0° |
C11 | C12 | N13 | 120.2° | 120.9° |
C12 | C11 | H6 | 120.3° | 120.5° |
C11 | C12 | H7 | 119.9° | 119.5° |
C11 | C10 | C07 | 121.2° | 120.9° |
C11 | C10 | C15 | 118.3° | 118.2° |
C10 | C11 | H6 | 120.3° | 120.5° |
N09 | C08 | C07 | 109.1° | 108.7° |
N09 | C08 | H4 | 125.5° | 125.7° |
C08 | N09 | H5 | 125.7° | 125.4° |
C12 | N13 | C14 | 122.2° | 122.0° |
N13 | C12 | H7 | 119.9° | 119.6° |
C10 | C07 | C08 | 123.1° | 126.3° |
C07 | C10 | C15 | 120.2° | 120.9° |
C07 | C08 | H4 | 125.5° | 125.6° |
C10 | C15 | C14 | 120.4° | 119.0° |
C10 | C15 | H1 | 119.8° | 120.5° |
N13 | C14 | C15 | 119.3° | 120.9° |
N13 | C14 | H8 | 120.3° | 119.5° |
C14 | C15 | H1 | 119.8° | 120.5° |
C15 | C14 | H8 | 120.3° | 119.5° |
H2 | N01 | H3 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O03 | C02 | N01 | C04 | 178.1° | 180.0° |
O03 | C02 | C04 | C05 | 18.2° | 0.0° |
O03 | C02 | C04 | N09 | 161.9° | 179.7° |
O03 | C02 | N01 | H2 | 0.0° | 179.9° |
O03 | C02 | N01 | H3 | 180.0° | 0.1° |
CL06 | C05 | C04 | C02 | 0.9° | 0.0° |
CL06 | C05 | C04 | C07 | 178.1° | 180.0° |
CL06 | C05 | C04 | N09 | 179.0° | 179.8° |
CL06 | C05 | C07 | C10 | 6.1° | 0.0° |
CL06 | C05 | C07 | C08 | 179.6° | 180.0° |
N01 | C02 | C04 | C05 | 163.7° | 180.0° |
N01 | C02 | C04 | N09 | 16.2° | 0.3° |
C02 | N01 | H2 | H3 | 180.0° | 179.8° |
C02 | C04 | C05 | N09 | 179.9° | 179.7° |
C02 | C04 | C05 | C07 | 179.1° | 180.0° |
C02 | C04 | N09 | C08 | 179.8° | 179.9° |
C04 | C02 | N01 | H2 | 178.1° | 0.1° |
C04 | C02 | N01 | H3 | 1.9° | 179.9° |
C02 | C04 | N09 | H5 | 0.2° | 0.0° |
C05 | C04 | N09 | C08 | 0.2° | 0.4° |
C04 | C05 | C07 | C10 | 175.8° | 180.0° |
C04 | C05 | C07 | C08 | 1.6° | 0.0° |
C05 | C04 | N09 | H5 | 179.8° | 179.7° |
N09 | C04 | C05 | C07 | 0.9° | 0.3° |
C04 | N09 | C08 | H5 | 180.0° | 179.9° |
C04 | N09 | C08 | C07 | 1.2° | 0.4° |
C04 | N09 | C08 | H4 | 178.7° | 179.9° |
C05 | C07 | C10 | C11 | 27.7° | 49.7° |
C05 | C07 | C08 | N09 | 1.7° | 0.2° |
C05 | C07 | C10 | C08 | 173.4° | 180.0° |
C05 | C07 | C10 | C15 | 159.1° | 129.9° |
C05 | C07 | C08 | H4 | 178.2° | 179.9° |
C12 | C11 | C10 | H6 | 180.0° | 180.0° |
C11 | C12 | N13 | H7 | 180.0° | 180.0° |
C12 | C11 | C10 | C07 | 176.4° | 179.7° |
C12 | C11 | C10 | C15 | 3.1° | 0.0° |
C11 | C12 | N13 | C14 | 0.8° | 0.2° |
C10 | C11 | C12 | N13 | 1.6° | 0.0° |
C11 | C10 | C07 | C15 | 173.2° | 179.7° |
C11 | C10 | C07 | C08 | 145.7° | 130.3° |
C11 | C10 | C15 | C14 | 3.7° | 0.3° |
C11 | C10 | C15 | H1 | 176.3° | 179.7° |
C10 | C11 | C12 | H7 | 178.4° | 180.0° |
N09 | C08 | C07 | C10 | 176.5° | 179.8° |
N09 | C08 | C07 | H4 | 180.0° | 179.7° |
C12 | N13 | C14 | C15 | 1.4° | 0.5° |
N13 | C12 | C11 | H6 | 178.4° | 180.0° |
C12 | N13 | C14 | H8 | 178.6° | 180.0° |
C07 | C10 | C15 | C14 | 177.1° | 180.0° |
C07 | C10 | C15 | H1 | 2.9° | 0.1° |
C10 | C07 | C08 | H4 | 3.5° | 0.1° |
C07 | C10 | C11 | H6 | 3.6° | 0.3° |
C08 | C07 | C10 | C15 | 27.5° | 50.1° |
C07 | C08 | N09 | H5 | 178.8° | 179.7° |
C10 | C15 | C14 | N13 | 2.9° | 0.5° |
C10 | C15 | C14 | H1 | 180.0° | 179.9° |
C15 | C10 | C11 | H6 | 177.0° | 180.0° |
C10 | C15 | C14 | H8 | 177.1° | 180.0° |
N13 | C14 | C15 | H8 | 180.0° | 179.5° |
N13 | C14 | C15 | H1 | 177.1° | 179.5° |
C14 | N13 | C12 | H7 | 179.2° | 179.7° |
H1 | C15 | C14 | H8 | 2.9° | 0.0° |
H4 | C08 | N09 | H5 | 1.3° | 0.0° |
H6 | C11 | C12 | H7 | 1.6° | 0.0° |