03X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C6 | N1 | sing | 1.34Å | 1.35Å | Aromatic |
| C23 | N3 | sing | 1.47Å | 1.49Å | |
| N3 | C20 | sing | 1.35Å | 1.34Å | |
| N3 | N4 | sing | 1.40Å | 1.25Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.37Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.40Å | Aromatic |
| C6 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.37Å | |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | F1 | sing | 1.35Å | 1.35Å | |
| N2 | C15 | sing | 1.40Å | 1.33Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | |
| N4 | C21 | sing | 1.35Å | 1.34Å | |
| C19 | C21 | sing | 1.47Å | 1.38Å | |
| C21 | O5 | doub | 1.22Å | 1.23Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C29 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| N4 | C24 | sing | 1.40Å | 1.35Å | |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| O3 | C11 | sing | 1.43Å | 1.45Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C2 | O3 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O2 | C1 | sing | 1.36Å | 1.37Å | |
| C12 | O2 | sing | 1.43Å | 1.44Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| O1 | C9 | sing | 1.36Å | 1.38Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C19 | C18 | sing | 1.47Å | 1.54Å | |
| O4 | C18 | doub | 1.22Å | 1.23Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C6 | 121.3° | 121.6° |
| N1 | C7 | C8 | 120.6° | 121.8° |
| N1 | C7 | H7 | 119.7° | 119.1° |
| N1 | C6 | C5 | 120.9° | 119.9° |
| N1 | C6 | C3 | 119.1° | 120.9° |
| C23 | N3 | C20 | 123.7° | 125.0° |
| C23 | N3 | N4 | 125.5° | 125.0° |
| N3 | C23 | H23 | 109.5° | 109.5° |
| N3 | C23 | H23A | 109.5° | 109.4° |
| N3 | C23 | H23B | 109.5° | 109.5° |
| C20 | N3 | N4 | 110.9° | 109.9° |
| N3 | C20 | C22 | 127.0° | 125.8° |
| N3 | C20 | C19 | 107.3° | 108.5° |
| N3 | N4 | C21 | 109.6° | 108.6° |
| N3 | N4 | C24 | 127.8° | 125.7° |
| C5 | C4 | C1 | 120.2° | 119.7° |
| C5 | C4 | H4 | 119.9° | 120.2° |
| C4 | C5 | C9 | 121.4° | 121.3° |
| C4 | C5 | C6 | 119.6° | 119.8° |
| C1 | C4 | H4 | 119.9° | 120.2° |
| C4 | C1 | C2 | 120.1° | 120.7° |
| C4 | C1 | O2 | 122.2° | 119.7° |
| C9 | C5 | C6 | 119.0° | 118.9° |
| C5 | C9 | C8 | 118.1° | 118.0° |
| C5 | C9 | O1 | 120.3° | 121.0° |
| C5 | C6 | C3 | 120.0° | 119.2° |
| C6 | C3 | C2 | 120.7° | 119.8° |
| C6 | C3 | H3 | 119.7° | 120.1° |
| C8 | C7 | H7 | 119.7° | 119.0° |
| C7 | C8 | C9 | 120.1° | 119.7° |
| C7 | C8 | H8 | 119.9° | 120.2° |
| C9 | C8 | H8 | 119.9° | 120.1° |
| C8 | C9 | O1 | 121.7° | 121.0° |
| C13 | C10 | C17 | 120.1° | 120.0° |
| C13 | C10 | O1 | 120.4° | 120.0° |
| C10 | C13 | C14 | 120.2° | 120.0° |
| C10 | C13 | F1 | 119.7° | 120.0° |
| C17 | C10 | O1 | 119.5° | 120.0° |
| C10 | C17 | C16 | 119.6° | 120.0° |
| C10 | C17 | H17 | 120.2° | 120.0° |
| C10 | O1 | C9 | 115.2° | 118.0° |
| C14 | C13 | F1 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.4° | 119.9° |
| C13 | C14 | H14 | 120.3° | 120.0° |
| N2 | C15 | C14 | 124.1° | 120.0° |
| N2 | C15 | C16 | 115.9° | 120.0° |
| C15 | N2 | C18 | 129.5° | 120.0° |
| C15 | N2 | HN2 | 115.3° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C15 | C14 | H14 | 120.3° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C17 | C16 | H16 | 119.6° | 120.0° |
| C22 | C20 | C19 | 125.7° | 125.7° |
| C20 | C22 | H22 | 109.5° | 109.5° |
| C20 | C22 | H22A | 109.5° | 109.5° |
| C20 | C22 | H22B | 109.4° | 109.5° |
| C20 | C19 | C21 | 103.9° | 106.5° |
| C20 | C19 | C18 | 130.6° | 126.8° |
| N4 | C21 | C19 | 108.3° | 106.5° |
| N4 | C21 | O5 | 126.7° | 126.8° |
| C21 | N4 | C24 | 122.6° | 125.7° |
| C19 | C21 | O5 | 124.9° | 126.7° |
| C21 | C19 | C18 | 125.4° | 126.8° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| C29 | C24 | N4 | 119.1° | 120.1° |
| C29 | C24 | C25 | 118.6° | 119.9° |
| C24 | C29 | C28 | 121.2° | 119.9° |
| C24 | C29 | H29 | 119.4° | 120.1° |
| N4 | C24 | C25 | 122.2° | 120.1° |
| C24 | C25 | C26 | 120.3° | 119.9° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C27 | C26 | C25 | 120.7° | 120.1° |
| C27 | C26 | H26 | 119.6° | 120.0° |
| C26 | C27 | C28 | 119.4° | 120.1° |
| C26 | C27 | H27 | 120.3° | 119.9° |
| C25 | C26 | H26 | 119.6° | 120.0° |
| C26 | C25 | H25 | 119.8° | 120.0° |
| C29 | C28 | C27 | 119.7° | 120.1° |
| C29 | C28 | H28 | 120.1° | 119.9° |
| C28 | C29 | H29 | 119.4° | 120.1° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C28 | C27 | H27 | 120.3° | 119.9° |
| O3 | C11 | H11 | 109.5° | 109.5° |
| O3 | C11 | H11A | 109.4° | 109.5° |
| O3 | C11 | H11B | 109.5° | 109.5° |
| C11 | O3 | C2 | 116.5° | 117.0° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H11 | C11 | H11B | 109.4° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| O3 | C2 | C1 | 118.6° | 119.6° |
| O3 | C2 | C3 | 121.9° | 119.6° |
| C1 | C2 | C3 | 119.5° | 120.8° |
| C2 | C1 | O2 | 117.8° | 119.7° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C1 | O2 | C12 | 115.7° | 117.0° |
| O2 | C12 | H12 | 109.5° | 109.4° |
| O2 | C12 | H12A | 109.5° | 109.5° |
| O2 | C12 | H12B | 109.4° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| C18 | N2 | HN2 | 115.2° | 120.0° |
| N2 | C18 | C19 | 112.1° | 120.0° |
| N2 | C18 | O4 | 125.3° | 120.0° |
| C19 | C18 | O4 | 122.6° | 120.0° |
| H23 | C23 | H23A | 109.4° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N1 | C6 | C5 | 0.2° | 0.0° |
| C7 | N1 | C6 | C3 | 179.6° | 180.0° |
| N1 | C7 | C8 | H7 | 180.0° | 180.0° |
| N1 | C7 | C8 | C9 | 0.1° | 0.0° |
| N1 | C7 | C8 | H8 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 179.8° | 180.0° |
| N1 | C6 | C5 | C9 | 0.1° | 0.0° |
| N1 | C6 | C5 | C3 | 179.9° | 180.0° |
| C6 | N1 | C7 | C8 | 0.2° | 0.0° |
| C6 | N1 | C7 | H7 | 179.8° | 180.0° |
| N1 | C6 | C3 | C2 | 179.7° | 180.0° |
| N1 | C6 | C3 | H3 | 0.3° | 0.1° |
| C23 | N3 | C20 | N4 | 180.0° | 179.7° |
| C23 | N3 | C20 | C22 | 0.4° | 0.3° |
| C23 | N3 | C20 | C19 | 179.7° | 179.7° |
| C23 | N3 | N4 | C21 | 179.4° | 179.8° |
| C23 | N3 | N4 | C24 | 1.9° | 0.2° |
| N3 | C23 | H23 | H23A | 120.0° | 120.0° |
| N3 | C23 | H23 | H23B | 120.0° | 120.0° |
| N3 | C23 | H23A | H23B | 120.0° | 120.0° |
| N3 | C20 | C22 | C19 | 179.2° | 180.0° |
| C20 | N3 | N4 | C21 | 0.5° | 0.0° |
| N3 | C20 | C19 | C21 | 1.0° | 0.0° |
| N3 | C20 | C22 | H22 | 180.0° | 90.0° |
| N3 | C20 | C22 | H22A | 60.0° | 150.0° |
| N3 | C20 | C22 | H22B | 60.0° | 30.0° |
| C20 | N3 | N4 | C24 | 178.1° | 180.0° |
| N3 | C20 | C19 | C18 | 179.2° | 180.0° |
| C20 | N3 | C23 | H23 | 180.0° | 4.7° |
| C20 | N3 | C23 | H23A | 60.0° | 115.3° |
| C20 | N3 | C23 | H23B | 60.0° | 124.7° |
| N4 | N3 | C20 | C22 | 179.6° | 180.0° |
| N4 | N3 | C20 | C19 | 0.3° | 0.0° |
| N3 | N4 | C21 | C24 | 177.7° | 180.0° |
| N3 | N4 | C21 | C19 | 1.2° | 0.0° |
| N3 | N4 | C21 | O5 | 179.7° | 180.0° |
| N3 | N4 | C24 | C29 | 67.9° | 131.5° |
| N3 | N4 | C24 | C25 | 114.2° | 48.2° |
| N4 | N3 | C23 | H23 | 0.0° | 175.6° |
| N4 | N3 | C23 | H23A | 120.0° | 64.4° |
| N4 | N3 | C23 | H23B | 120.0° | 55.6° |
| C5 | C4 | C1 | H4 | 180.0° | 179.9° |
| C4 | C5 | C9 | C6 | 179.9° | 179.9° |
| C4 | C5 | C6 | C3 | 0.3° | 0.1° |
| C4 | C5 | C9 | C8 | 180.0° | 180.0° |
| C5 | C4 | C1 | C2 | 0.6° | 0.0° |
| C5 | C4 | C1 | O2 | 180.0° | 179.9° |
| C4 | C5 | C9 | O1 | 0.4° | 0.0° |
| C1 | C4 | C5 | C9 | 179.7° | 180.0° |
| C1 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C1 | C2 | O3 | 179.8° | 180.0° |
| C4 | C1 | C2 | O2 | 179.4° | 179.9° |
| C4 | C1 | C2 | C3 | 0.7° | 0.1° |
| C4 | C1 | O2 | C12 | 14.1° | 0.1° |
| H4 | C4 | C5 | C9 | 0.3° | 0.1° |
| H4 | C4 | C5 | C6 | 179.6° | 180.0° |
| H4 | C4 | C1 | C2 | 179.4° | 179.9° |
| H4 | C4 | C1 | O2 | 0.0° | 0.0° |
| C9 | C5 | C6 | C3 | 179.8° | 180.0° |
| C5 | C9 | C8 | C7 | 0.1° | 0.0° |
| C5 | C9 | C8 | O1 | 179.6° | 180.0° |
| C5 | C9 | C8 | H8 | 179.9° | 180.0° |
| C5 | C9 | O1 | C10 | 154.7° | 174.7° |
| C6 | C5 | C9 | C8 | 0.1° | 0.0° |
| C5 | C6 | C3 | C2 | 0.5° | 0.0° |
| C5 | C6 | C3 | H3 | 179.5° | 180.0° |
| C6 | C5 | C9 | O1 | 179.5° | 180.0° |
| C6 | C3 | C2 | O3 | 179.7° | 179.9° |
| C6 | C3 | C2 | C1 | 0.7° | 0.0° |
| C6 | C3 | C2 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | O1 | 179.5° | 180.0° |
| H7 | C7 | C8 | C9 | 180.0° | 180.0° |
| H7 | C7 | C8 | H8 | 0.0° | 0.0° |
| C8 | C9 | O1 | C10 | 25.7° | 5.3° |
| H8 | C8 | C9 | O1 | 0.5° | 0.0° |
| C13 | C10 | C17 | O1 | 179.8° | 179.7° |
| C10 | C13 | C14 | F1 | 179.3° | 179.9° |
| C10 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C10 | C17 | C16 | 0.2° | 0.3° |
| C13 | C10 | C17 | H17 | 179.8° | 179.7° |
| C13 | C10 | O1 | C9 | 96.6° | 81.1° |
| C10 | C13 | C14 | H14 | 179.5° | 179.7° |
| C17 | C10 | C13 | C14 | 0.5° | 0.3° |
| C17 | C10 | C13 | F1 | 179.8° | 179.8° |
| C10 | C17 | C16 | C15 | 0.1° | 0.0° |
| C10 | C17 | C16 | H17 | 180.0° | 179.9° |
| C17 | C10 | O1 | C9 | 83.7° | 99.2° |
| C10 | C17 | C16 | H16 | 179.9° | 179.8° |
| O1 | C10 | C13 | C14 | 179.7° | 180.0° |
| O1 | C10 | C13 | F1 | 0.4° | 0.1° |
| O1 | C10 | C17 | C16 | 180.0° | 180.0° |
| O1 | C10 | C17 | H17 | 0.0° | 0.0° |
| C13 | C14 | C15 | N2 | 179.7° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.2° | 0.3° |
| F1 | C13 | C14 | C15 | 179.7° | 179.9° |
| F1 | C13 | C14 | H14 | 0.3° | 0.2° |
| N2 | C15 | C14 | C16 | 179.6° | 179.7° |
| N2 | C15 | C16 | C17 | 179.5° | 180.0° |
| N2 | C15 | C14 | H14 | 0.3° | 0.3° |
| N2 | C15 | C16 | H16 | 0.5° | 0.3° |
| C15 | N2 | C18 | HN2 | 180.0° | 179.9° |
| C15 | N2 | C18 | C19 | 178.8° | 174.6° |
| C15 | N2 | C18 | O4 | 0.1° | 5.4° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C14 | C15 | N2 | C18 | 28.8° | 33.2° |
| C14 | C15 | N2 | HN2 | 151.2° | 146.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14 | 179.9° | 180.0° |
| C16 | C15 | N2 | C18 | 151.6° | 146.5° |
| C16 | C15 | N2 | HN2 | 28.4° | 33.6° |
| H17 | C17 | C16 | H16 | 0.1° | 0.3° |
| C22 | C20 | C19 | C21 | 179.7° | 180.0° |
| C20 | C22 | H22 | H22A | 120.0° | 120.0° |
| C20 | C22 | H22 | H22B | 120.0° | 120.0° |
| C20 | C22 | H22A | H22B | 120.0° | 120.0° |
| C22 | C20 | C19 | C18 | 1.5° | 0.0° |
| C20 | C19 | C21 | N4 | 1.3° | 0.0° |
| C20 | C19 | C21 | C18 | 178.3° | 180.0° |
| C20 | C19 | C21 | O5 | 179.8° | 180.0° |
| C19 | C20 | C22 | H22 | 0.8° | 90.0° |
| C19 | C20 | C22 | H22A | 120.8° | 30.0° |
| C19 | C20 | C22 | H22B | 119.2° | 150.0° |
| C20 | C19 | C18 | N2 | 171.4° | 180.0° |
| C20 | C19 | C18 | O4 | 7.5° | 0.0° |
| N4 | C21 | C19 | O5 | 178.5° | 180.0° |
| C21 | N4 | C24 | C29 | 109.3° | 48.5° |
| C21 | N4 | C24 | C25 | 68.5° | 131.8° |
| N4 | C21 | C19 | C18 | 179.6° | 180.0° |
| C19 | C21 | N4 | C24 | 178.8° | 180.0° |
| C21 | C19 | C18 | N2 | 6.5° | 0.0° |
| C21 | C19 | C18 | O4 | 174.7° | 180.0° |
| O5 | C21 | N4 | C24 | 2.7° | 0.0° |
| O5 | C21 | C19 | C18 | 1.8° | 0.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| C29 | C24 | N4 | C25 | 177.9° | 179.7° |
| C29 | C24 | C25 | C26 | 0.9° | 0.3° |
| C24 | C29 | C28 | H29 | 180.0° | 180.0° |
| C24 | C29 | C28 | C27 | 0.7° | 0.5° |
| C24 | C29 | C28 | H28 | 179.4° | 179.7° |
| C29 | C24 | C25 | H25 | 179.1° | 179.8° |
| N4 | C24 | C25 | C26 | 178.8° | 180.0° |
| N4 | C24 | C29 | C28 | 179.0° | 179.7° |
| N4 | C24 | C25 | H25 | 1.2° | 0.1° |
| N4 | C24 | C29 | H29 | 1.0° | 0.3° |
| C24 | C25 | C26 | C27 | 0.3° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 179.7° | 180.0° |
| C25 | C24 | C29 | C28 | 1.1° | 0.1° |
| C25 | C24 | C29 | H29 | 178.9° | 180.0° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.0° | 0.7° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C26 | C25 | H25 | 179.7° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.5° |
| C25 | C26 | C27 | H27 | 179.9° | 179.5° |
| H26 | C26 | C27 | C28 | 179.9° | 179.5° |
| H26 | C26 | C25 | H25 | 0.3° | 0.1° |
| H26 | C26 | C27 | H27 | 0.1° | 0.6° |
| C29 | C28 | C27 | H28 | 180.0° | 179.2° |
| C29 | C28 | C27 | H27 | 179.9° | 179.2° |
| C27 | C28 | C29 | H29 | 179.3° | 179.5° |
| H28 | C28 | C27 | H27 | 0.1° | 0.0° |
| H28 | C28 | C29 | H29 | 0.7° | 0.3° |
| O3 | C11 | H11 | H11A | 120.0° | 120.0° |
| O3 | C11 | H11 | H11B | 120.0° | 120.0° |
| O3 | C11 | H11A | H11B | 120.0° | 120.0° |
| C11 | O3 | C2 | C1 | 158.6° | 180.0° |
| C11 | O3 | C2 | C3 | 22.3° | 0.1° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H11 | C11 | O3 | C2 | 180.0° | 180.0° |
| H11A | C11 | O3 | C2 | 60.0° | 60.1° |
| H11B | C11 | O3 | C2 | 60.0° | 60.0° |
| O3 | C2 | C1 | C3 | 179.1° | 179.9° |
| O3 | C2 | C3 | H3 | 0.3° | 0.0° |
| O3 | C2 | C1 | O2 | 0.8° | 0.1° |
| C1 | C2 | C3 | H3 | 179.3° | 179.9° |
| C2 | C1 | O2 | C12 | 166.5° | 180.0° |
| C3 | C2 | C1 | O2 | 179.8° | 180.0° |
| C1 | O2 | C12 | H12 | 180.0° | 60.0° |
| C1 | O2 | C12 | H12A | 60.0° | 60.0° |
| C1 | O2 | C12 | H12B | 60.0° | 180.0° |
| O2 | C12 | H12 | H12A | 120.0° | 120.0° |
| O2 | C12 | H12 | H12B | 120.0° | 120.0° |
| O2 | C12 | H12A | H12B | 120.0° | 120.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.1° |
| N2 | C18 | C19 | O4 | 178.9° | 180.0° |
| HN2 | N2 | C18 | C19 | 1.2° | 5.3° |
| HN2 | N2 | C18 | O4 | 179.9° | 174.7° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
