92N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C9 | sing | 1.43Å | 1.45Å | |
| O3 | B | sing | 1.42Å | 1.39Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| O2 | B | sing | 1.42Å | 1.35Å | |
| B | C8 | sing | 1.57Å | 1.55Å | |
| C10 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.40Å | |
| C3 | C2 | doub | 1.37Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| O1 | C4 | sing | 1.36Å | 1.39Å | |
| C4 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| O | C | doub | 1.21Å | 1.21Å | |
| C1 | C | sing | 1.47Å | 1.47Å | |
| C1 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.37Å | 1.39Å | Aromatic |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O3 | B | 110.2° | 108.8° |
| O3 | C9 | C10 | 105.9° | 109.4° |
| O3 | C9 | H1 | 110.4° | 109.4° |
| O3 | C9 | H11 | 110.3° | 109.5° |
| O3 | B | O2 | 122.6° | 126.5° |
| O3 | B | C8 | 108.3° | 107.0° |
| C9 | C10 | C8 | 110.4° | 107.9° |
| C9 | C10 | C11 | 130.4° | 132.4° |
| C10 | C9 | H1 | 110.3° | 109.5° |
| C10 | C9 | H11 | 110.4° | 109.6° |
| O2 | B | C8 | 129.0° | 126.5° |
| B | O2 | H10 | 109.5° | 114.0° |
| B | C8 | C10 | 105.1° | 106.9° |
| B | C8 | C7 | 135.8° | 132.9° |
| C8 | C10 | C11 | 119.2° | 119.7° |
| C10 | C8 | C7 | 119.1° | 120.2° |
| C10 | C11 | C5 | 120.6° | 120.0° |
| C10 | C11 | H6 | 119.7° | 120.0° |
| C8 | C7 | C6 | 121.2° | 119.8° |
| C8 | C7 | H2 | 119.4° | 120.1° |
| C11 | C5 | C6 | 120.2° | 120.3° |
| C11 | C5 | O1 | 127.0° | 119.9° |
| C5 | C11 | H6 | 119.7° | 120.0° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C6 | C7 | H2 | 119.4° | 120.1° |
| C7 | C6 | H4 | 120.2° | 120.0° |
| C6 | C5 | O1 | 112.6° | 119.9° |
| C5 | C6 | H4 | 120.2° | 120.0° |
| C5 | O1 | C4 | 123.4° | 118.0° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C3 | C2 | C1 | 121.3° | 119.9° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C3 | C2 | H5 | 119.3° | 120.0° |
| C3 | C4 | O1 | 121.1° | 120.0° |
| C3 | C4 | C12 | 120.0° | 120.2° |
| C4 | C3 | H3 | 120.1° | 119.9° |
| C2 | C1 | C | 121.4° | 120.1° |
| C2 | C1 | C13 | 117.9° | 119.8° |
| C1 | C2 | H5 | 119.4° | 120.1° |
| O1 | C4 | C12 | 118.3° | 119.8° |
| C4 | C12 | C13 | 119.8° | 120.1° |
| C4 | C12 | H7 | 120.1° | 120.0° |
| O | C | C1 | 126.1° | 120.0° |
| O | C | H8 | 117.0° | 120.1° |
| C | C1 | C13 | 120.7° | 120.1° |
| C1 | C | H8 | 116.9° | 120.0° |
| C1 | C13 | C12 | 121.3° | 119.9° |
| C1 | C13 | H9 | 119.3° | 120.1° |
| C13 | C12 | H7 | 120.1° | 119.9° |
| C12 | C13 | H9 | 119.4° | 120.0° |
| H1 | C9 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C9 | C10 | H1 | 119.4° | 119.9° |
| O3 | C9 | C10 | H11 | 119.4° | 120.0° |
| C9 | O3 | B | O2 | 178.2° | 180.0° |
| C9 | O3 | B | C8 | 0.8° | 0.0° |
| O3 | C9 | C10 | C8 | 0.9° | 0.0° |
| O3 | C9 | C10 | C11 | 179.7° | 180.0° |
| O3 | C9 | H1 | H11 | 121.6° | 120.0° |
| B | O3 | C9 | C10 | 0.0° | 0.1° |
| O3 | B | O2 | C8 | 178.8° | 179.9° |
| O3 | B | C8 | C10 | 1.3° | 0.0° |
| O3 | B | C8 | C7 | 179.8° | 180.0° |
| B | O3 | C9 | H1 | 119.5° | 120.0° |
| O3 | B | O2 | H10 | 0.0° | 0.1° |
| B | O3 | C9 | H11 | 119.4° | 120.0° |
| C9 | C10 | C8 | B | 1.4° | 0.0° |
| C9 | C10 | C8 | C11 | 179.4° | 180.0° |
| C9 | C10 | C8 | C7 | 179.6° | 180.0° |
| C9 | C10 | C11 | C5 | 178.9° | 179.9° |
| C10 | C9 | H1 | H11 | 121.6° | 120.1° |
| C9 | C10 | C11 | H6 | 1.1° | 0.1° |
| O2 | B | C8 | C10 | 177.6° | 180.0° |
| O2 | B | C8 | C7 | 1.3° | 0.1° |
| B | C8 | C10 | C7 | 179.1° | 180.0° |
| B | C8 | C10 | C11 | 179.2° | 180.0° |
| B | C8 | C7 | C6 | 178.9° | 180.0° |
| B | C8 | C7 | H2 | 1.1° | 0.0° |
| C8 | B | O2 | H10 | 178.8° | 180.0° |
| C8 | C10 | C11 | C5 | 0.4° | 0.0° |
| C10 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C10 | C9 | H1 | 120.4° | 119.9° |
| C10 | C8 | C7 | H2 | 179.8° | 179.9° |
| C8 | C10 | C11 | H6 | 179.6° | 180.0° |
| C8 | C10 | C9 | H11 | 118.5° | 119.9° |
| C11 | C10 | C8 | C7 | 0.1° | 0.0° |
| C10 | C11 | C5 | H6 | 180.0° | 180.0° |
| C10 | C11 | C5 | C6 | 1.0° | 0.0° |
| C10 | C11 | C5 | O1 | 173.9° | 180.0° |
| C11 | C10 | C9 | H1 | 60.3° | 60.1° |
| C11 | C10 | C9 | H11 | 60.8° | 60.0° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C8 | C7 | C6 | H4 | 179.6° | 180.0° |
| C11 | C5 | C6 | C7 | 1.0° | 0.0° |
| C11 | C5 | C6 | O1 | 175.6° | 180.0° |
| C11 | C5 | O1 | C4 | 28.4° | 89.9° |
| C11 | C5 | C6 | H4 | 179.0° | 180.0° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | O1 | 174.6° | 180.0° |
| C6 | C5 | O1 | C4 | 156.3° | 90.1° |
| C5 | C6 | C7 | H2 | 179.6° | 179.9° |
| C6 | C5 | C11 | H6 | 179.0° | 180.0° |
| C5 | O1 | C4 | C3 | 78.4° | 179.4° |
| C5 | O1 | C4 | C12 | 110.2° | 0.6° |
| O1 | C5 | C6 | H4 | 5.4° | 0.0° |
| O1 | C5 | C11 | H6 | 6.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C3 | C2 | C1 | H5 | 180.0° | 179.9° |
| C2 | C3 | C4 | O1 | 169.3° | 180.0° |
| C2 | C3 | C4 | C12 | 1.9° | 0.0° |
| C3 | C2 | C1 | C | 178.5° | 180.0° |
| C3 | C2 | C1 | C13 | 0.6° | 0.1° |
| C4 | C3 | C2 | C1 | 0.9° | 0.1° |
| C3 | C4 | O1 | C12 | 171.4° | 180.0° |
| C3 | C4 | C12 | C13 | 1.6° | 0.0° |
| C4 | C3 | C2 | H5 | 179.1° | 179.9° |
| C3 | C4 | C12 | H7 | 178.4° | 180.0° |
| C2 | C1 | C | O | 1.4° | 0.1° |
| C2 | C1 | C | C13 | 179.1° | 179.9° |
| C2 | C1 | C13 | C12 | 1.0° | 0.1° |
| C1 | C2 | C3 | H3 | 179.1° | 179.7° |
| C2 | C1 | C | H8 | 178.6° | 179.9° |
| C2 | C1 | C13 | H9 | 179.0° | 179.9° |
| O1 | C4 | C12 | C13 | 169.9° | 180.0° |
| O1 | C4 | C3 | H3 | 10.7° | 0.3° |
| O1 | C4 | C12 | H7 | 10.1° | 0.0° |
| C4 | C12 | C13 | C1 | 0.1° | 0.0° |
| C4 | C12 | C13 | H7 | 180.0° | 180.0° |
| C12 | C4 | C3 | H3 | 178.1° | 179.7° |
| C4 | C12 | C13 | H9 | 179.9° | 180.0° |
| O | C | C1 | H8 | 180.0° | 179.9° |
| O | C | C1 | C13 | 179.6° | 180.0° |
| C | C1 | C13 | C12 | 178.1° | 180.0° |
| C | C1 | C2 | H5 | 1.5° | 0.1° |
| C | C1 | C13 | H9 | 1.9° | 0.0° |
| C1 | C13 | C12 | H9 | 180.0° | 180.0° |
| C13 | C1 | C2 | H5 | 179.4° | 180.0° |
| C1 | C13 | C12 | H7 | 179.9° | 180.0° |
| C13 | C1 | C | H8 | 0.4° | 0.0° |
| H2 | C7 | C6 | H4 | 0.4° | 0.0° |
| H3 | C3 | C2 | H5 | 0.9° | 0.2° |
| H7 | C12 | C13 | H9 | 0.1° | 0.0° |
