7ND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | B05 | sing | 1.42Å | 1.66Å | |
| B05 | O07 | sing | 1.42Å | 1.65Å | |
| B05 | C04 | sing | 1.57Å | 1.66Å | |
| C04 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.41Å | |
| O11 | C12 | sing | 1.36Å | 1.40Å | |
| C10 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | BR | sing | 1.89Å | 1.91Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| O06 | H2 | sing | 0.97Å | 0.95Å | |
| O07 | H3 | sing | 0.97Å | 0.95Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | B05 | O07 | 105.4° | 120.0° |
| O06 | B05 | C04 | 110.5° | 120.0° |
| B05 | O06 | H2 | 109.5° | 113.9° |
| O07 | B05 | C04 | 105.6° | 120.0° |
| B05 | O07 | H3 | 109.5° | 114.0° |
| B05 | C04 | C09 | 120.6° | 120.1° |
| B05 | C04 | C03 | 119.1° | 120.1° |
| C09 | C04 | C03 | 120.2° | 119.8° |
| C04 | C09 | C10 | 120.6° | 119.8° |
| C04 | C09 | H4 | 119.7° | 120.1° |
| C04 | C03 | C02 | 119.0° | 120.0° |
| C04 | C03 | H1 | 120.5° | 120.0° |
| C09 | C10 | O11 | 117.4° | 120.0° |
| C09 | C10 | C18 | 119.3° | 120.0° |
| C10 | C09 | H4 | 119.7° | 120.1° |
| C03 | C02 | C18 | 121.5° | 120.2° |
| C03 | C02 | BR | 117.3° | 119.9° |
| C02 | C03 | H1 | 120.5° | 120.0° |
| C10 | O11 | C12 | 117.2° | 118.0° |
| O11 | C10 | C18 | 123.3° | 120.0° |
| O11 | C12 | C13 | 118.3° | 120.1° |
| O11 | C12 | C17 | 121.6° | 120.0° |
| C10 | C18 | C02 | 119.3° | 120.2° |
| C10 | C18 | H10 | 120.4° | 119.9° |
| C18 | C02 | BR | 121.1° | 119.9° |
| C02 | C18 | H10 | 120.3° | 119.9° |
| C13 | C12 | C17 | 120.0° | 119.9° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | H5 | 120.1° | 120.0° |
| C12 | C17 | C16 | 120.0° | 119.9° |
| C12 | C17 | H9 | 120.0° | 120.1° |
| C13 | C14 | C15 | 120.2° | 120.1° |
| C14 | C13 | H5 | 120.0° | 120.0° |
| C13 | C14 | H6 | 119.9° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.1° |
| C17 | C16 | H8 | 120.1° | 120.0° |
| C16 | C17 | H9 | 120.0° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C15 | C14 | H6 | 119.9° | 119.9° |
| C14 | C15 | H7 | 120.0° | 119.9° |
| C16 | C15 | H7 | 120.0° | 120.0° |
| C15 | C16 | H8 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | B05 | O07 | C04 | 117.0° | 180.0° |
| O06 | B05 | C04 | C09 | 20.9° | 180.0° |
| O06 | B05 | C04 | C03 | 160.0° | 0.0° |
| O06 | B05 | O07 | H3 | 180.0° | 0.0° |
| O07 | B05 | C04 | C09 | 92.6° | 0.1° |
| O07 | B05 | C04 | C03 | 86.5° | 180.0° |
| O07 | B05 | O06 | H2 | 180.0° | 180.0° |
| B05 | C04 | C09 | C03 | 179.1° | 180.0° |
| B05 | C04 | C09 | C10 | 178.8° | 180.0° |
| B05 | C04 | C03 | C02 | 179.2° | 180.0° |
| B05 | C04 | C03 | H1 | 0.9° | 0.0° |
| C04 | B05 | O06 | H2 | 66.3° | 0.0° |
| C04 | B05 | O07 | H3 | 62.9° | 180.0° |
| B05 | C04 | C09 | H4 | 1.2° | 0.0° |
| C04 | C09 | C10 | H4 | 180.0° | 180.0° |
| C09 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | C09 | C10 | O11 | 179.6° | 180.0° |
| C04 | C09 | C10 | C18 | 1.3° | 0.0° |
| C09 | C04 | C03 | H1 | 180.0° | 179.9° |
| C03 | C04 | C09 | C10 | 0.3° | 0.0° |
| C04 | C03 | C02 | H1 | 180.0° | 179.9° |
| C04 | C03 | C02 | C18 | 0.6° | 0.0° |
| C04 | C03 | C02 | BR | 180.0° | 179.7° |
| C03 | C04 | C09 | H4 | 179.7° | 180.0° |
| C09 | C10 | O11 | C18 | 178.2° | 180.0° |
| C09 | C10 | O11 | C12 | 166.9° | 67.4° |
| C09 | C10 | C18 | C02 | 2.0° | 0.0° |
| C09 | C10 | C18 | H10 | 178.1° | 179.8° |
| C03 | C02 | C18 | C10 | 1.6° | 0.0° |
| C03 | C02 | C18 | BR | 179.4° | 179.7° |
| C03 | C02 | C18 | H10 | 178.4° | 179.7° |
| O11 | C10 | C18 | C02 | 179.9° | 180.0° |
| C10 | O11 | C12 | C13 | 112.6° | 6.2° |
| C10 | O11 | C12 | C17 | 70.1° | 174.2° |
| O11 | C10 | C09 | H4 | 0.4° | 0.0° |
| O11 | C10 | C18 | H10 | 0.1° | 0.2° |
| C12 | O11 | C10 | C18 | 15.0° | 112.6° |
| O11 | C12 | C13 | C17 | 177.3° | 179.7° |
| O11 | C12 | C13 | C14 | 178.7° | 179.9° |
| O11 | C12 | C17 | C16 | 178.9° | 179.8° |
| O11 | C12 | C13 | H5 | 1.3° | 0.1° |
| O11 | C12 | C17 | H9 | 1.1° | 0.1° |
| C10 | C18 | C02 | H10 | 180.0° | 179.8° |
| C10 | C18 | C02 | BR | 179.0° | 179.7° |
| C18 | C10 | C09 | H4 | 178.7° | 180.0° |
| C18 | C02 | C03 | H1 | 179.4° | 180.0° |
| BR | C02 | C03 | H1 | 0.1° | 0.3° |
| BR | C02 | C18 | H10 | 1.0° | 0.0° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C13 | C12 | C17 | C16 | 1.7° | 0.5° |
| C12 | C13 | C14 | C15 | 0.6° | 0.1° |
| C12 | C13 | C14 | H6 | 179.4° | 179.9° |
| C13 | C12 | C17 | H9 | 178.3° | 179.7° |
| C17 | C12 | C13 | C14 | 1.4° | 0.2° |
| C12 | C17 | C16 | H9 | 180.0° | 179.8° |
| C12 | C17 | C16 | C15 | 1.1° | 0.4° |
| C17 | C12 | C13 | H5 | 178.6° | 179.8° |
| C12 | C17 | C16 | H8 | 178.9° | 179.7° |
| C13 | C14 | C15 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.1° |
| C17 | C16 | C15 | H8 | 180.0° | 179.9° |
| C17 | C16 | C15 | H7 | 179.7° | 179.8° |
| C14 | C15 | C16 | H7 | 180.0° | 179.9° |
| C15 | C14 | C13 | H5 | 179.4° | 179.9° |
| C14 | C15 | C16 | H8 | 179.7° | 180.0° |
| C16 | C15 | C14 | H6 | 179.9° | 180.0° |
| C15 | C16 | C17 | H9 | 178.9° | 179.8° |
| H5 | C13 | C14 | H6 | 0.6° | 0.0° |
| H6 | C14 | C15 | H7 | 0.0° | 0.1° |
| H7 | C15 | C16 | H8 | 0.3° | 0.1° |
| H8 | C16 | C17 | H9 | 1.1° | 0.1° |
