B5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | sing | 1.35Å | 1.65Å | |
| O09 | C10 | sing | 1.33Å | 1.48Å | |
| C07 | C08 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| O11 | C10 | doub | 1.22Å | 1.18Å | |
| C08 | C13 | sing | 1.40Å | 1.48Å | Aromatic |
| C10 | S12 | sing | 1.77Å | 1.63Å | |
| C06 | C05 | doub | 1.39Å | 1.44Å | Aromatic |
| C13 | S12 | sing | 1.77Å | 1.63Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C05 | O04 | sing | 1.36Å | 1.41Å | |
| O04 | C02 | sing | 1.34Å | 1.41Å | |
| C02 | O03 | 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 | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | O09 | C10 | 109.0° | 119.6° |
| O09 | C08 | C07 | 131.5° | 127.7° |
| O09 | C08 | C13 | 108.6° | 114.9° |
| O09 | C10 | O11 | 126.0° | 127.2° |
| O09 | C10 | S12 | 107.8° | 105.6° |
| C08 | C07 | C06 | 119.9° | 120.9° |
| C07 | C08 | C13 | 119.9° | 117.4° |
| C08 | C07 | H5 | 120.0° | 119.5° |
| C07 | C06 | C05 | 120.5° | 120.8° |
| C07 | C06 | H4 | 119.7° | 119.6° |
| C06 | C07 | H5 | 120.0° | 119.5° |
| O11 | C10 | S12 | 126.2° | 127.2° |
| C08 | C13 | S12 | 108.4° | 105.8° |
| C08 | C13 | C14 | 119.9° | 121.8° |
| C10 | S12 | C13 | 106.1° | 94.1° |
| C06 | C05 | C14 | 119.3° | 119.2° |
| C06 | C05 | O04 | 118.6° | 120.4° |
| C05 | C06 | H4 | 119.8° | 119.6° |
| S12 | C13 | C14 | 131.7° | 132.5° |
| C13 | C14 | C05 | 120.4° | 119.9° |
| C13 | C14 | H6 | 119.8° | 120.1° |
| C14 | C05 | O04 | 122.1° | 120.4° |
| C05 | C14 | H6 | 119.8° | 120.1° |
| C05 | O04 | C02 | 120.6° | 117.0° |
| O04 | C02 | O03 | 122.3° | 120.0° |
| O04 | C02 | C01 | 118.8° | 120.0° |
| O03 | C02 | C01 | 118.9° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C07 | C13 | 179.5° | 180.0° |
| O09 | C08 | C07 | C06 | 180.0° | 179.9° |
| C08 | O09 | C10 | O11 | 176.7° | 179.8° |
| C08 | O09 | C10 | S12 | 2.9° | 0.0° |
| O09 | C08 | C13 | S12 | 0.3° | 0.0° |
| O09 | C08 | C13 | C14 | 179.8° | 179.9° |
| O09 | C08 | C07 | H5 | 0.1° | 0.0° |
| C10 | O09 | C08 | C07 | 177.9° | 180.0° |
| O09 | C10 | O11 | S12 | 179.5° | 179.8° |
| C10 | O09 | C08 | C13 | 1.7° | 0.0° |
| O09 | C10 | S12 | C13 | 3.0° | 0.0° |
| C08 | C07 | C06 | H5 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.1° | 0.1° |
| C07 | C08 | C13 | S12 | 179.9° | 180.0° |
| C07 | C08 | C13 | C14 | 0.1° | 0.0° |
| C08 | C07 | C06 | H4 | 179.9° | 179.9° |
| C06 | C07 | C08 | C13 | 0.4° | 0.1° |
| C07 | C06 | C05 | H4 | 180.0° | 179.9° |
| C07 | C06 | C05 | C14 | 0.5° | 0.0° |
| C07 | C06 | C05 | O04 | 179.3° | 179.9° |
| O11 | C10 | S12 | C13 | 176.6° | 179.8° |
| C08 | C13 | S12 | C10 | 2.0° | 0.0° |
| C08 | C13 | S12 | C14 | 180.0° | 180.0° |
| C08 | C13 | C14 | C05 | 0.5° | 0.0° |
| C13 | C08 | C07 | H5 | 179.6° | 180.0° |
| C08 | C13 | C14 | H6 | 179.5° | 180.0° |
| C10 | S12 | C13 | C14 | 178.1° | 180.0° |
| C06 | C05 | C14 | C13 | 0.8° | 0.0° |
| C06 | C05 | C14 | O04 | 178.8° | 179.9° |
| C06 | C05 | O04 | C02 | 146.8° | 102.9° |
| C05 | C06 | C07 | H5 | 179.9° | 180.0° |
| C06 | C05 | C14 | H6 | 179.2° | 180.0° |
| S12 | C13 | C14 | C05 | 179.5° | 180.0° |
| S12 | C13 | C14 | H6 | 0.5° | 0.1° |
| C13 | C14 | C05 | H6 | 180.0° | 180.0° |
| C13 | C14 | C05 | O04 | 179.6° | 180.0° |
| C14 | C05 | O04 | C02 | 34.4° | 77.0° |
| C14 | C05 | C06 | H4 | 179.5° | 179.9° |
| C05 | O04 | C02 | O03 | 24.8° | 4.9° |
| C05 | O04 | C02 | C01 | 156.0° | 175.1° |
| O04 | C05 | C06 | H4 | 0.6° | 0.1° |
| O04 | C05 | C14 | H6 | 0.4° | 0.0° |
| O04 | C02 | O03 | C01 | 179.1° | 180.0° |
| O04 | C02 | C01 | H1 | 179.2° | 180.0° |
| O04 | C02 | C01 | H2 | 60.8° | 60.0° |
| O04 | C02 | C01 | H3 | 59.2° | 59.9° |
| O03 | C02 | C01 | H1 | 0.0° | 0.0° |
| O03 | C02 | C01 | H2 | 120.0° | 120.1° |
| O03 | C02 | C01 | H3 | 120.0° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C06 | C07 | H5 | 0.1° | 0.1° |
