PD4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C | N | sing | 1.33Å | 1.34Å | Aromatic |
| C | C13 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.37Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | N1 | sing | 1.35Å | 1.35Å | |
| C4 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.35Å | |
| N1 | C5 | doub | 1.31Å | 1.35Å | |
| C5 | C6 | sing | 1.47Å | 1.41Å | |
| C5 | N3 | sing | 1.38Å | 1.35Å | |
| C6 | N2 | sing | 1.35Å | 1.35Å | |
| C6 | O | doub | 1.22Å | 1.32Å | |
| N2 | C18 | sing | 1.47Å | 1.48Å | |
| N3 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | N4 | sing | 1.47Å | 1.50Å | |
| N4 | C9 | sing | 1.47Å | 1.49Å | |
| N4 | C12 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C11 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | O2 | sing | 1.36Å | 1.32Å | |
| N5 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| O2 | C23 | sing | 1.43Å | 1.45Å | |
| C19 | O3 | sing | 1.43Å | 1.41Å | |
| O3 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | N | 118.2° | 121.1° |
| C1 | C | C13 | 126.0° | 119.4° |
| C | C1 | C2 | 119.9° | 119.6° |
| C | C1 | H1 | 120.1° | 120.2° |
| N | C | C13 | 115.8° | 119.5° |
| C | N | C4 | 124.8° | 121.5° |
| C | C13 | C14 | 122.7° | 120.4° |
| C | C13 | C17 | 120.2° | 120.5° |
| C1 | C2 | C3 | 119.5° | 118.5° |
| C2 | C1 | H1 | 120.1° | 120.2° |
| C1 | C2 | H2 | 120.3° | 120.8° |
| C2 | C3 | C4 | 119.3° | 119.1° |
| C2 | C3 | N1 | 122.0° | 120.1° |
| C3 | C2 | H2 | 120.3° | 120.7° |
| C4 | C3 | N1 | 118.7° | 120.9° |
| C3 | C4 | N | 118.4° | 120.2° |
| C3 | C4 | N2 | 121.4° | 119.9° |
| C3 | N1 | C5 | 120.9° | 120.9° |
| N | C4 | N2 | 120.2° | 119.9° |
| C4 | N2 | C6 | 119.3° | 119.2° |
| C4 | N2 | C18 | 120.6° | 120.4° |
| N1 | C5 | C6 | 119.7° | 120.0° |
| N1 | C5 | N3 | 122.0° | 120.0° |
| C6 | C5 | N3 | 118.4° | 120.0° |
| C5 | C6 | N2 | 120.0° | 119.2° |
| C5 | C6 | O | 119.6° | 120.3° |
| C5 | N3 | C7 | 129.5° | 120.0° |
| C5 | N3 | HN3 | 115.2° | 120.0° |
| N2 | C6 | O | 120.4° | 120.5° |
| C6 | N2 | C18 | 120.0° | 120.4° |
| N2 | C18 | C19 | 114.7° | 109.4° |
| N2 | C18 | H18 | 107.8° | 109.5° |
| N2 | C18 | H18A | 107.7° | 109.5° |
| N3 | C7 | C8 | 115.0° | 109.5° |
| C7 | N3 | HN3 | 115.3° | 120.0° |
| N3 | C7 | H7 | 107.7° | 109.5° |
| N3 | C7 | H7A | 107.6° | 109.5° |
| C7 | C8 | N4 | 115.3° | 109.5° |
| C8 | C7 | H7 | 107.7° | 109.4° |
| C8 | C7 | H7A | 107.7° | 109.5° |
| C7 | C8 | H8 | 107.6° | 109.4° |
| C7 | C8 | H8A | 107.6° | 109.5° |
| C8 | N4 | C9 | 118.4° | 111.0° |
| C8 | N4 | C12 | 121.3° | 111.0° |
| N4 | C8 | H8 | 107.6° | 109.5° |
| N4 | C8 | H8A | 107.5° | 109.5° |
| C9 | N4 | C12 | 117.5° | 110.8° |
| N4 | C9 | C10 | 110.0° | 109.3° |
| N4 | C9 | H9 | 109.3° | 109.5° |
| N4 | C9 | H9A | 109.3° | 109.5° |
| N4 | C12 | C11 | 110.2° | 109.3° |
| N4 | C12 | H12 | 109.2° | 109.5° |
| N4 | C12 | H12A | 109.2° | 109.5° |
| C9 | C10 | O1 | 111.2° | 109.3° |
| C10 | C9 | H9 | 109.3° | 109.5° |
| C10 | C9 | H9A | 109.3° | 109.5° |
| C9 | C10 | H10 | 108.9° | 109.5° |
| C9 | C10 | H10A | 108.9° | 109.5° |
| C10 | O1 | C11 | 115.6° | 113.7° |
| O1 | C10 | H10 | 108.9° | 109.6° |
| O1 | C10 | H10A | 108.9° | 109.5° |
| O1 | C11 | C12 | 112.4° | 109.3° |
| O1 | C11 | H11 | 108.5° | 109.5° |
| O1 | C11 | H11A | 108.5° | 109.5° |
| C12 | C11 | H11 | 108.5° | 109.5° |
| C12 | C11 | H11A | 108.5° | 109.5° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C11 | C12 | H12A | 109.3° | 109.5° |
| C14 | C13 | C17 | 117.1° | 119.0° |
| C13 | C14 | C15 | 122.5° | 118.3° |
| C13 | C14 | H14 | 118.8° | 120.8° |
| C13 | C17 | N5 | 120.5° | 120.6° |
| C13 | C17 | H17 | 119.8° | 119.6° |
| C14 | C15 | C16 | 116.8° | 119.3° |
| C15 | C14 | H14 | 118.8° | 120.9° |
| C14 | C15 | H15 | 121.6° | 120.3° |
| C15 | C16 | N5 | 121.2° | 120.9° |
| C15 | C16 | O2 | 115.1° | 119.6° |
| C16 | C15 | H15 | 121.6° | 120.3° |
| N5 | C16 | O2 | 123.7° | 119.6° |
| C16 | N5 | C17 | 122.0° | 121.8° |
| C16 | O2 | C23 | 121.1° | 117.0° |
| N5 | C17 | H17 | 119.7° | 119.7° |
| C18 | C19 | O3 | 105.7° | 109.5° |
| C19 | C18 | H18 | 107.8° | 109.5° |
| C19 | C18 | H18A | 107.8° | 109.4° |
| C18 | C19 | H19 | 110.7° | 109.5° |
| C18 | C19 | H19A | 110.7° | 109.5° |
| O2 | C23 | H23 | 109.5° | 109.5° |
| O2 | C23 | H23A | 109.5° | 109.5° |
| O2 | C23 | H23B | 109.4° | 109.4° |
| C19 | O3 | C20 | 114.7° | 114.0° |
| O3 | C19 | H19 | 110.7° | 109.5° |
| O3 | C19 | H19A | 110.7° | 109.5° |
| O3 | C20 | C21 | 108.8° | 109.5° |
| O3 | C20 | H20 | 109.7° | 109.5° |
| O3 | C20 | H20A | 109.7° | 109.4° |
| C20 | C21 | C22 | 113.6° | 109.5° |
| C21 | C20 | H20 | 109.7° | 109.5° |
| C21 | C20 | H20A | 109.7° | 109.5° |
| C20 | C21 | H21 | 108.1° | 109.5° |
| C20 | C21 | H21A | 108.1° | 109.5° |
| C22 | C21 | H21 | 108.1° | 109.5° |
| C22 | C21 | H21A | 108.1° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.5° |
| C21 | C22 | H22B | 109.5° | 109.5° |
| H7 | C7 | H7A | 111.2° | 109.5° |
| H8 | C8 | H8A | 111.3° | 109.5° |
| H9 | C9 | H9A | 109.6° | 109.5° |
| H10 | C10 | H10A | 110.0° | 109.5° |
| H11 | C11 | H11A | 110.4° | 109.5° |
| H12 | C12 | H12A | 109.7° | 109.5° |
| H18 | C18 | H18A | 111.1° | 109.5° |
| H19 | C19 | H19A | 108.2° | 109.4° |
| H20 | C20 | H20A | 109.3° | 109.5° |
| H21 | C21 | H21A | 110.8° | 109.4° |
| H22 | C22 | H22A | 109.4° | 109.6° |
| H22 | C22 | H22B | 109.5° | 109.4° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| H23 | C23 | H23A | 109.5° | 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) |
| C1 | C | N | C13 | 179.3° | 179.7° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C | N | C4 | 0.0° | 0.0° |
| C1 | C | C13 | C14 | 15.3° | 179.9° |
| C1 | C | C13 | C17 | 167.4° | 0.2° |
| C | C1 | C2 | H2 | 179.9° | 179.9° |
| N | C | C1 | C2 | 0.1° | 0.0° |
| C | N | C4 | C3 | 0.2° | 0.0° |
| C | N | C4 | N2 | 179.4° | 180.0° |
| N | C | C13 | C14 | 163.9° | 0.3° |
| N | C | C13 | C17 | 13.4° | 179.4° |
| N | C | C1 | H1 | 179.9° | 180.0° |
| C13 | C | C1 | C2 | 179.1° | 179.7° |
| C13 | C | N | C4 | 179.3° | 179.7° |
| C | C13 | C14 | C17 | 177.4° | 179.7° |
| C | C13 | C14 | C15 | 179.7° | 180.0° |
| C | C13 | C17 | N5 | 179.6° | 179.7° |
| C13 | C | C1 | H1 | 0.9° | 0.3° |
| C | C13 | C14 | H14 | 0.3° | 0.1° |
| C | C13 | C17 | H17 | 0.4° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | N1 | 180.0° | 180.0° |
| C2 | C3 | C4 | N1 | 180.0° | 180.0° |
| C2 | C3 | C4 | N | 0.2° | 0.0° |
| C2 | C3 | C4 | N2 | 179.3° | 180.0° |
| C2 | C3 | N1 | C5 | 179.3° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C3 | C4 | N | N2 | 179.5° | 180.0° |
| C4 | C3 | N1 | C5 | 0.8° | 0.0° |
| C3 | C4 | N2 | C6 | 2.1° | 0.0° |
| C3 | C4 | N2 | C18 | 178.8° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| N1 | C3 | C4 | N | 179.8° | 180.0° |
| N1 | C3 | C4 | N2 | 0.6° | 0.0° |
| C3 | N1 | C5 | C6 | 0.7° | 0.1° |
| C3 | N1 | C5 | N3 | 179.5° | 179.9° |
| N1 | C3 | C2 | H2 | 0.0° | 0.0° |
| N | C4 | N2 | C6 | 178.4° | 180.0° |
| N | C4 | N2 | C18 | 1.7° | 0.1° |
| C4 | N2 | C6 | C5 | 2.1° | 0.0° |
| C4 | N2 | C6 | C18 | 176.7° | 179.9° |
| C4 | N2 | C6 | O | 179.3° | 179.9° |
| C4 | N2 | C18 | C19 | 113.7° | 90.0° |
| C4 | N2 | C18 | H18 | 126.3° | 149.9° |
| C4 | N2 | C18 | H18A | 6.3° | 29.9° |
| N1 | C5 | C6 | N3 | 179.9° | 179.9° |
| N1 | C5 | C6 | N2 | 0.8° | 0.0° |
| N1 | C5 | C6 | O | 179.3° | 180.0° |
| N1 | C5 | N3 | C7 | 1.1° | 0.1° |
| N1 | C5 | N3 | HN3 | 178.9° | 180.0° |
| C5 | C6 | N2 | O | 178.5° | 179.9° |
| C5 | C6 | N2 | C18 | 178.8° | 179.9° |
| C6 | C5 | N3 | C7 | 178.8° | 180.0° |
| C6 | C5 | N3 | HN3 | 1.2° | 0.1° |
| N3 | C5 | C6 | N2 | 179.1° | 179.9° |
| N3 | C5 | C6 | O | 0.5° | 0.1° |
| C5 | N3 | C7 | HN3 | 180.0° | 179.9° |
| C5 | N3 | C7 | C8 | 75.4° | 180.0° |
| C5 | N3 | C7 | H7 | 164.7° | 60.1° |
| C5 | N3 | C7 | H7A | 44.7° | 60.0° |
| C6 | N2 | C18 | C19 | 69.6° | 90.0° |
| C6 | N2 | C18 | H18 | 50.4° | 30.0° |
| C6 | N2 | C18 | H18A | 170.4° | 150.0° |
| O | C6 | N2 | C18 | 2.6° | 0.0° |
| N2 | C18 | C19 | H18 | 120.0° | 120.0° |
| N2 | C18 | C19 | H18A | 120.0° | 119.9° |
| N2 | C18 | C19 | O3 | 76.8° | 65.0° |
| N2 | C18 | H18 | H18A | 117.8° | 120.0° |
| N2 | C18 | C19 | H19 | 43.1° | 175.0° |
| N2 | C18 | C19 | H19A | 163.2° | 55.0° |
| N3 | C7 | C8 | H7 | 120.0° | 119.9° |
| N3 | C7 | C8 | H7A | 120.0° | 120.1° |
| N3 | C7 | C8 | N4 | 161.4° | 180.0° |
| N3 | C7 | H7 | H7A | 117.7° | 120.1° |
| N3 | C7 | C8 | H8 | 78.6° | 60.1° |
| N3 | C7 | C8 | H8A | 41.4° | 59.9° |
| C7 | C8 | N4 | H8 | 120.0° | 119.9° |
| C7 | C8 | N4 | H8A | 120.0° | 120.1° |
| C7 | C8 | N4 | C9 | 74.0° | 169.9° |
| C7 | C8 | N4 | C12 | 125.6° | 66.4° |
| C8 | C7 | N3 | HN3 | 104.6° | 0.1° |
| C8 | C7 | H7 | H7A | 117.8° | 120.0° |
| C7 | C8 | H8 | H8A | 117.6° | 120.0° |
| C8 | N4 | C9 | C12 | 161.2° | 123.8° |
| C8 | N4 | C9 | C10 | 113.6° | 177.7° |
| C8 | N4 | C12 | C11 | 115.1° | 177.6° |
| N4 | C8 | C7 | H7 | 41.4° | 60.0° |
| N4 | C8 | C7 | H7A | 78.6° | 60.0° |
| N4 | C8 | H8 | H8A | 117.6° | 120.1° |
| C8 | N4 | C9 | H9 | 126.3° | 57.7° |
| C8 | N4 | C9 | H9A | 6.3° | 62.5° |
| C8 | N4 | C12 | H12 | 4.9° | 62.5° |
| C8 | N4 | C12 | H12A | 124.8° | 57.7° |
| N4 | C9 | C10 | H9 | 120.0° | 120.0° |
| N4 | C9 | C10 | H9A | 120.0° | 119.9° |
| N4 | C9 | C10 | O1 | 50.5° | 56.8° |
| C9 | N4 | C12 | C11 | 45.5° | 58.6° |
| C9 | N4 | C8 | H8 | 46.0° | 50.0° |
| C9 | N4 | C8 | H8A | 166.0° | 70.0° |
| N4 | C9 | H9 | H9A | 119.8° | 120.1° |
| N4 | C9 | C10 | H10 | 170.5° | 63.1° |
| N4 | C9 | C10 | H10A | 69.6° | 176.8° |
| C9 | N4 | C12 | H12 | 165.5° | 61.3° |
| C9 | N4 | C12 | H12A | 74.5° | 178.5° |
| C12 | N4 | C9 | C10 | 47.6° | 58.6° |
| N4 | C12 | C11 | O1 | 46.7° | 56.8° |
| N4 | C12 | C11 | H12 | 120.0° | 119.9° |
| N4 | C12 | C11 | H12A | 120.0° | 120.0° |
| C12 | N4 | C8 | H8 | 114.4° | 173.7° |
| C12 | N4 | C8 | H8A | 5.5° | 53.7° |
| C12 | N4 | C9 | H9 | 72.5° | 178.6° |
| C12 | N4 | C9 | H9A | 167.6° | 61.3° |
| N4 | C12 | C11 | H11 | 166.7° | 63.1° |
| N4 | C12 | C11 | H11A | 73.3° | 176.8° |
| N4 | C12 | H12 | H12A | 119.7° | 120.2° |
| C9 | C10 | O1 | H10 | 120.0° | 119.9° |
| C9 | C10 | O1 | H10A | 120.0° | 119.9° |
| C9 | C10 | O1 | C11 | 57.4° | 58.7° |
| C10 | C9 | H9 | H9A | 119.8° | 120.0° |
| C9 | C10 | H10 | H10A | 119.3° | 120.0° |
| C10 | O1 | C11 | C12 | 55.7° | 58.7° |
| O1 | C10 | C9 | H9 | 69.5° | 176.8° |
| O1 | C10 | C9 | H9A | 170.5° | 63.1° |
| O1 | C10 | H10 | H10A | 119.3° | 120.2° |
| C10 | O1 | C11 | H11 | 175.7° | 61.3° |
| C10 | O1 | C11 | H11A | 64.3° | 178.7° |
| O1 | C11 | C12 | H11 | 120.0° | 119.9° |
| O1 | C11 | C12 | H11A | 120.0° | 120.0° |
| C11 | O1 | C10 | H10 | 177.4° | 61.3° |
| C11 | O1 | C10 | H10A | 62.7° | 178.6° |
| O1 | C11 | H11 | H11A | 118.8° | 120.1° |
| O1 | C11 | C12 | H12 | 166.7° | 63.1° |
| O1 | C11 | C12 | H12A | 73.3° | 176.8° |
| C12 | C11 | H11 | H11A | 118.8° | 120.1° |
| C11 | C12 | H12 | H12A | 119.7° | 120.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.3° | 0.0° |
| C14 | C13 | C17 | N5 | 2.1° | 0.5° |
| C13 | C14 | C15 | H15 | 178.7° | 179.9° |
| C14 | C13 | C17 | H17 | 177.9° | 179.7° |
| C17 | C13 | C14 | C15 | 2.2° | 0.3° |
| C13 | C17 | N5 | C16 | 1.1° | 0.5° |
| C13 | C17 | N5 | H17 | 180.0° | 179.7° |
| C17 | C13 | C14 | H14 | 177.7° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | N5 | 0.2° | 0.0° |
| C14 | C15 | C16 | O2 | 179.5° | 180.0° |
| C15 | C16 | N5 | O2 | 179.6° | 179.9° |
| C15 | C16 | N5 | C17 | 0.1° | 0.2° |
| C15 | C16 | O2 | C23 | 172.5° | 180.0° |
| C16 | C15 | C14 | H14 | 178.7° | 179.9° |
| N5 | C16 | O2 | C23 | 7.9° | 0.0° |
| N5 | C16 | C15 | H15 | 179.8° | 180.0° |
| C16 | N5 | C17 | H17 | 178.9° | 179.7° |
| O2 | C16 | N5 | C17 | 179.5° | 179.7° |
| O2 | C16 | C15 | H15 | 0.5° | 0.1° |
| C16 | O2 | C23 | H23 | 180.0° | 180.0° |
| C16 | O2 | C23 | H23A | 60.0° | 60.0° |
| C16 | O2 | C23 | H23B | 60.0° | 60.0° |
| C18 | C19 | O3 | H19 | 120.0° | 120.0° |
| C18 | C19 | O3 | H19A | 120.0° | 120.0° |
| C18 | C19 | O3 | C20 | 174.2° | 180.0° |
| C19 | C18 | H18 | H18A | 117.9° | 120.0° |
| C18 | C19 | H19 | H19A | 121.5° | 120.0° |
| O2 | C23 | H23 | H23A | 120.0° | 120.0° |
| O2 | C23 | H23 | H23B | 120.0° | 120.0° |
| O2 | C23 | H23A | H23B | 120.0° | 120.0° |
| C19 | O3 | C20 | C21 | 170.4° | 180.0° |
| O3 | C19 | C18 | H18 | 163.1° | 55.0° |
| O3 | C19 | C18 | H18A | 43.1° | 175.0° |
| O3 | C19 | H19 | H19A | 121.5° | 120.0° |
| C19 | O3 | C20 | H20 | 69.6° | 60.0° |
| C19 | O3 | C20 | H20A | 50.4° | 60.0° |
| O3 | C20 | C21 | H20 | 120.0° | 120.0° |
| O3 | C20 | C21 | H20A | 120.0° | 119.9° |
| O3 | C20 | C21 | C22 | 57.7° | 180.0° |
| C20 | O3 | C19 | H19 | 65.9° | 59.9° |
| C20 | O3 | C19 | H19A | 54.2° | 60.0° |
| O3 | C20 | H20 | H20A | 120.3° | 119.9° |
| O3 | C20 | C21 | H21 | 62.3° | 59.9° |
| O3 | C20 | C21 | H21A | 177.7° | 60.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C21 | C20 | H20 | H20A | 120.3° | 120.0° |
| C20 | C21 | H21 | H21A | 118.3° | 120.0° |
| C20 | C21 | C22 | H22 | 180.0° | 60.0° |
| C20 | C21 | C22 | H22A | 60.0° | 60.1° |
| C20 | C21 | C22 | H22B | 60.0° | 180.0° |
| C22 | C21 | C20 | H20 | 177.7° | 60.0° |
| C22 | C21 | C20 | H20A | 62.3° | 60.0° |
| C22 | C21 | H21 | H21A | 118.3° | 120.0° |
| C21 | C22 | H22 | H22A | 120.0° | 120.1° |
| C21 | C22 | H22 | H22B | 120.0° | 120.0° |
| C21 | C22 | H22A | H22B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| HN3 | N3 | C7 | H7 | 15.3° | 120.0° |
| HN3 | N3 | C7 | H7A | 135.3° | 119.9° |
| H7 | C7 | C8 | H8 | 161.4° | 180.0° |
| H7 | C7 | C8 | H8A | 78.6° | 60.0° |
| H7A | C7 | C8 | H8 | 41.4° | 60.0° |
| H7A | C7 | C8 | H8A | 161.4° | 180.0° |
| H9 | C9 | C10 | H10 | 50.5° | 56.9° |
| H9 | C9 | C10 | H10A | 170.4° | 63.2° |
| H9A | C9 | C10 | H10 | 69.5° | 176.9° |
| H9A | C9 | C10 | H10A | 50.4° | 56.9° |
| H11 | C11 | C12 | H12 | 73.3° | 177.0° |
| H11 | C11 | C12 | H12A | 46.7° | 56.9° |
| H11A | C11 | C12 | H12 | 46.7° | 56.9° |
| H11A | C11 | C12 | H12A | 166.7° | 63.2° |
| H14 | C14 | C15 | H15 | 1.3° | 0.0° |
| H18 | C18 | C19 | H19 | 76.9° | 65.0° |
| H18 | C18 | C19 | H19A | 43.2° | 175.0° |
| H18A | C18 | C19 | H19 | 163.1° | 55.0° |
| H18A | C18 | C19 | H19A | 76.9° | 64.9° |
| H20 | C20 | C21 | H21 | 57.7° | 179.9° |
| H20 | C20 | C21 | H21A | 62.3° | 60.0° |
| H20A | C20 | C21 | H21 | 177.7° | 60.0° |
| H20A | C20 | C21 | H21A | 57.7° | 180.0° |
| H21 | C21 | C22 | H22 | 60.0° | 179.9° |
| H21 | C21 | C22 | H22A | 180.0° | 59.9° |
| H21 | C21 | C22 | H22B | 60.0° | 60.0° |
| H21A | C21 | C22 | H22 | 60.0° | 59.9° |
| H21A | C21 | C22 | H22A | 60.0° | 179.9° |
| H21A | C21 | C22 | H22B | 180.0° | 60.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
