2GK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.39Å | Aromatic |
| O23 | C20 | doub | 1.22Å | 1.25Å | |
| C16 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
| C14 | C11 | doub | 1.41Å | 1.45Å | Aromatic |
| C20 | O24 | sing | 1.35Å | 1.26Å | |
| C20 | C19 | sing | 1.46Å | 1.45Å | |
| C17 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.46Å | 1.52Å | Aromatic |
| C19 | C18 | doub | 1.35Å | 1.32Å | |
| C12 | S13 | sing | 1.76Å | 1.70Å | Aromatic |
| C18 | C10 | sing | 1.47Å | 1.44Å | |
| O21 | B | sing | 1.42Å | 1.51Å | |
| C10 | C9 | doub | 1.36Å | 1.43Å | Aromatic |
| S13 | C9 | sing | 1.75Å | 1.69Å | Aromatic |
| C9 | B | sing | 1.57Å | 1.61Å | |
| B | O22 | sing | 1.42Å | 1.54Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| O21 | H9 | sing | 0.97Å | 0.95Å | |
| O22 | H10 | sing | 0.97Å | 0.95Å | |
| O24 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 122.0° | 120.5° |
| C15 | C16 | C17 | 120.9° | 120.2° |
| C15 | C16 | H1 | 119.5° | 120.0° |
| C16 | C15 | H2 | 119.0° | 119.7° |
| C15 | C14 | C11 | 117.6° | 120.6° |
| C14 | C15 | H2 | 119.0° | 119.8° |
| C15 | C14 | H3 | 121.2° | 119.7° |
| O23 | C20 | O24 | 122.3° | 120.0° |
| O23 | C20 | C19 | 117.7° | 120.0° |
| C16 | C17 | C12 | 119.7° | 120.3° |
| C17 | C16 | H1 | 119.5° | 119.9° |
| C16 | C17 | H4 | 120.2° | 119.8° |
| C14 | C11 | C12 | 120.3° | 118.9° |
| C14 | C11 | C10 | 128.5° | 128.9° |
| C11 | C14 | H3 | 121.2° | 119.7° |
| O24 | C20 | C19 | 119.5° | 120.0° |
| C20 | O24 | H11 | 109.5° | 114.0° |
| C20 | C19 | C18 | 110.7° | 120.0° |
| C20 | C19 | H7 | 124.7° | 120.0° |
| C17 | C12 | C11 | 119.5° | 119.6° |
| C17 | C12 | S13 | 129.4° | 130.0° |
| C12 | C17 | H4 | 120.1° | 119.9° |
| C12 | C11 | C10 | 111.2° | 112.2° |
| C11 | C12 | S13 | 111.1° | 110.4° |
| C11 | C10 | C18 | 118.5° | 123.1° |
| C11 | C10 | C9 | 109.7° | 113.8° |
| C19 | C18 | C10 | 116.9° | 120.0° |
| C19 | C18 | H5 | 121.5° | 120.0° |
| C18 | C19 | H7 | 124.6° | 120.0° |
| C12 | S13 | C9 | 95.9° | 92.6° |
| C18 | C10 | C9 | 131.8° | 123.1° |
| C10 | C18 | H5 | 121.6° | 120.0° |
| O21 | B | C9 | 101.6° | 120.0° |
| O21 | B | O22 | 114.3° | 119.9° |
| B | O21 | H9 | 109.5° | 114.0° |
| C10 | C9 | S13 | 112.0° | 111.0° |
| C10 | C9 | B | 126.4° | 124.5° |
| S13 | C9 | B | 121.5° | 124.5° |
| C9 | B | O22 | 108.4° | 120.0° |
| B | O22 | H10 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C15 | C16 | C17 | H1 | 180.0° | 179.8° |
| C16 | C15 | C14 | C11 | 1.3° | 0.1° |
| C15 | C16 | C17 | C12 | 1.0° | 0.0° |
| C16 | C15 | C14 | H3 | 178.7° | 180.0° |
| C15 | C16 | C17 | H4 | 179.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.8° | 0.1° |
| C15 | C14 | C11 | H3 | 180.0° | 179.9° |
| C15 | C14 | C11 | C12 | 2.0° | 0.1° |
| C15 | C14 | C11 | C10 | 179.1° | 179.9° |
| C14 | C15 | C16 | H1 | 179.2° | 179.7° |
| O23 | C20 | O24 | C19 | 172.3° | 180.0° |
| O23 | C20 | C19 | C18 | 171.9° | 0.0° |
| O23 | C20 | C19 | H7 | 8.1° | 180.0° |
| O23 | C20 | O24 | H11 | 0.0° | 0.0° |
| C16 | C17 | C12 | H4 | 180.0° | 179.7° |
| C16 | C17 | C12 | C11 | 1.7° | 0.0° |
| C16 | C17 | C12 | S13 | 178.8° | 180.0° |
| C17 | C16 | C15 | H2 | 179.2° | 180.0° |
| C14 | C11 | C12 | C17 | 2.2° | 0.1° |
| C14 | C11 | C12 | C10 | 177.6° | 180.0° |
| C14 | C11 | C12 | S13 | 178.2° | 180.0° |
| C14 | C11 | C10 | C18 | 1.0° | 0.0° |
| C14 | C11 | C10 | C9 | 177.3° | 179.9° |
| C11 | C14 | C15 | H2 | 178.7° | 180.0° |
| O24 | C20 | C19 | C18 | 0.7° | 180.0° |
| O24 | C20 | C19 | H7 | 179.2° | 0.0° |
| C20 | C19 | C18 | H7 | 180.0° | 180.0° |
| C20 | C19 | C18 | C10 | 164.1° | 180.0° |
| C20 | C19 | C18 | H5 | 15.9° | 0.0° |
| C19 | C20 | O24 | H11 | 172.3° | 180.0° |
| C17 | C12 | C11 | S13 | 179.6° | 180.0° |
| C17 | C12 | C11 | C10 | 179.8° | 180.0° |
| C17 | C12 | S13 | C9 | 179.6° | 180.0° |
| C12 | C17 | C16 | H1 | 179.0° | 179.7° |
| C12 | C11 | C10 | C18 | 178.4° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C12 | S13 | C9 | 0.9° | 0.0° |
| C12 | C11 | C14 | H3 | 178.0° | 180.0° |
| C11 | C12 | C17 | H4 | 178.3° | 179.8° |
| C11 | C10 | C18 | C19 | 130.0° | 130.0° |
| C10 | C11 | C12 | S13 | 0.5° | 0.0° |
| C11 | C10 | C18 | C9 | 177.8° | 180.0° |
| C11 | C10 | C9 | S13 | 0.7° | 0.0° |
| C11 | C10 | C9 | B | 176.7° | 180.0° |
| C10 | C11 | C14 | H3 | 0.8° | 0.1° |
| C11 | C10 | C18 | H5 | 50.0° | 50.0° |
| C19 | C18 | C10 | H5 | 180.0° | 180.0° |
| C19 | C18 | C10 | C9 | 47.8° | 49.9° |
| C12 | S13 | C9 | C10 | 0.9° | 0.0° |
| C12 | S13 | C9 | B | 176.6° | 180.0° |
| S13 | C12 | C17 | H4 | 1.3° | 0.3° |
| C18 | C10 | C9 | S13 | 178.7° | 180.0° |
| C18 | C10 | C9 | B | 1.3° | 0.0° |
| C10 | C18 | C19 | H7 | 15.9° | 0.0° |
| O21 | B | C9 | C10 | 68.1° | 180.0° |
| O21 | B | C9 | S13 | 109.1° | 0.0° |
| O21 | B | C9 | O22 | 120.7° | 180.0° |
| O21 | B | O22 | H10 | 180.0° | 0.0° |
| C10 | C9 | S13 | B | 177.6° | 180.0° |
| C10 | C9 | B | O22 | 171.1° | 0.0° |
| C9 | C10 | C18 | H5 | 132.2° | 130.0° |
| S13 | C9 | B | O22 | 11.7° | 180.0° |
| C9 | B | O21 | H9 | 180.0° | 180.0° |
| C9 | B | O22 | H10 | 67.5° | 180.0° |
| O22 | B | O21 | H9 | 63.5° | 0.0° |
| H1 | C16 | C15 | H2 | 0.8° | 0.2° |
| H1 | C16 | C17 | H4 | 1.0° | 0.0° |
| H2 | C15 | C14 | H3 | 1.3° | 0.1° |
| H5 | C18 | C19 | H7 | 164.1° | 180.0° |
