9EQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
C07 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | O06 | sing | 1.36Å | 1.40Å | |
C05 | C04 | doub | 1.41Å | 1.38Å | Aromatic |
C10 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
C10 | O11 | sing | 1.36Å | 1.40Å | |
C04 | C02 | sing | 1.46Å | 1.54Å | |
O03 | C02 | doub | 1.21Å | 1.19Å | |
C02 | C01 | sing | 1.51Å | 1.53Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
O06 | H4 | sing | 0.97Å | 0.95Å | |
C07 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.08Å | 1.08Å | |
C09 | H7 | sing | 1.08Å | 1.08Å | |
O11 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C07 | C08 | C09 | 118.9° | 120.6° |
C08 | C07 | C05 | 120.4° | 120.3° |
C08 | C07 | H5 | 119.8° | 119.8° |
C07 | C08 | H6 | 120.5° | 119.7° |
C08 | C09 | C10 | 121.1° | 120.3° |
C09 | C08 | H6 | 120.6° | 119.7° |
C08 | C09 | H7 | 119.4° | 119.9° |
C07 | C05 | O06 | 119.9° | 120.1° |
C07 | C05 | C04 | 120.9° | 119.7° |
C05 | C07 | H5 | 119.8° | 119.9° |
C09 | C10 | C04 | 119.9° | 119.7° |
C09 | C10 | O11 | 118.5° | 120.2° |
C10 | C09 | H7 | 119.5° | 119.8° |
O06 | C05 | C04 | 119.2° | 120.2° |
C05 | O06 | H4 | 109.5° | 114.0° |
C05 | C04 | C10 | 118.8° | 119.5° |
C05 | C04 | C02 | 118.0° | 120.3° |
C04 | C10 | O11 | 121.6° | 120.1° |
C10 | C04 | C02 | 123.2° | 120.2° |
C10 | O11 | H8 | 109.5° | 114.0° |
C04 | C02 | O03 | 118.9° | 120.0° |
C04 | C02 | C01 | 122.5° | 120.0° |
O03 | C02 | C01 | 118.5° | 120.0° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.4° | 109.4° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C07 | C08 | C09 | H6 | 180.0° | 179.8° |
C08 | C07 | C05 | H5 | 180.0° | 180.0° |
C07 | C08 | C09 | C10 | 0.5° | 0.5° |
C08 | C07 | C05 | O06 | 180.0° | 180.0° |
C08 | C07 | C05 | C04 | 0.1° | 0.0° |
C07 | C08 | C09 | H7 | 179.6° | 179.9° |
C09 | C08 | C07 | C05 | 0.3° | 0.3° |
C08 | C09 | C10 | H7 | 180.0° | 179.4° |
C08 | C09 | C10 | C04 | 0.4° | 0.5° |
C08 | C09 | C10 | O11 | 179.7° | 179.8° |
C09 | C08 | C07 | H5 | 179.7° | 179.7° |
C07 | C05 | O06 | C04 | 179.9° | 180.0° |
C07 | C05 | C04 | C10 | 0.0° | 0.0° |
C07 | C05 | C04 | C02 | 179.8° | 180.0° |
C07 | C05 | O06 | H4 | 166.2° | 90.0° |
C05 | C07 | C08 | H6 | 179.7° | 180.0° |
C09 | C10 | C04 | C05 | 0.2° | 0.3° |
C09 | C10 | C04 | O11 | 179.9° | 179.7° |
C09 | C10 | C04 | C02 | 179.7° | 179.7° |
C10 | C09 | C08 | H6 | 179.6° | 179.7° |
C09 | C10 | O11 | H8 | 180.0° | 90.3° |
O06 | C05 | C04 | C10 | 180.0° | 180.0° |
O06 | C05 | C04 | C02 | 0.1° | 0.0° |
O06 | C05 | C07 | H5 | 0.0° | 0.0° |
C05 | C04 | C10 | C02 | 179.9° | 180.0° |
C05 | C04 | C10 | O11 | 179.9° | 180.0° |
C05 | C04 | C02 | O03 | 36.1° | 91.1° |
C05 | C04 | C02 | C01 | 143.2° | 88.8° |
C04 | C05 | O06 | H4 | 13.7° | 90.0° |
C04 | C05 | C07 | H5 | 179.9° | 179.9° |
C10 | C04 | C02 | O03 | 143.7° | 88.9° |
C10 | C04 | C02 | C01 | 36.9° | 91.2° |
C04 | C10 | C09 | H7 | 179.6° | 180.0° |
C04 | C10 | O11 | H8 | 0.1° | 90.0° |
O11 | C10 | C04 | C02 | 0.2° | 0.0° |
O11 | C10 | C09 | H7 | 0.3° | 0.3° |
C04 | C02 | O03 | C01 | 179.4° | 179.9° |
C04 | C02 | C01 | H1 | 179.3° | 85.0° |
C04 | C02 | C01 | H2 | 59.4° | 35.0° |
C04 | C02 | C01 | H3 | 60.6° | 155.0° |
O03 | C02 | C01 | H1 | 0.0° | 95.0° |
O03 | C02 | C01 | H2 | 120.0° | 145.0° |
O03 | C02 | C01 | H3 | 120.0° | 25.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H5 | C07 | C08 | H6 | 0.3° | 0.1° |
H6 | C08 | C09 | H7 | 0.4° | 0.3° |