9QU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | N4 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | N3 | sing | 1.38Å | 1.40Å | Aromatic |
| N4 | C15 | doub | 1.30Å | 1.36Å | Aromatic |
| N3 | C15 | sing | 1.36Å | 1.32Å | Aromatic |
| C | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.37Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C12 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | C5 | sing | 1.47Å | 1.44Å | Aromatic |
| C3 | N | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | doub | 1.34Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| N | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | C9 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.51Å | 1.49Å | |
| C9 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | O | doub | 1.21Å | 1.23Å | |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| C6 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 120.8° | 120.7° |
| C19 | C20 | C21 | 120.9° | 120.4° |
| C20 | C19 | H27 | 119.6° | 119.6° |
| C19 | C20 | H28 | 119.6° | 119.8° |
| C19 | C18 | C17 | 118.0° | 119.9° |
| C19 | C18 | H26 | 121.0° | 120.1° |
| C18 | C19 | H27 | 119.6° | 119.7° |
| C20 | C21 | C16 | 118.9° | 119.7° |
| C21 | C20 | H28 | 119.6° | 119.8° |
| C20 | C21 | H29 | 120.5° | 120.1° |
| C18 | C17 | C16 | 121.9° | 119.5° |
| C18 | C17 | N4 | 132.5° | 133.6° |
| C17 | C18 | H26 | 121.0° | 120.1° |
| C21 | C16 | C17 | 119.6° | 119.9° |
| C21 | C16 | N3 | 130.8° | 134.2° |
| C16 | C21 | H29 | 120.5° | 120.2° |
| C16 | C17 | N4 | 105.6° | 107.0° |
| C17 | C16 | N3 | 109.6° | 106.0° |
| C17 | N4 | C15 | 106.8° | 109.6° |
| C16 | N3 | C15 | 104.6° | 107.4° |
| C16 | N3 | H11 | 127.7° | 126.3° |
| N4 | C15 | N3 | 113.4° | 110.1° |
| N4 | C15 | C12 | 121.6° | 124.9° |
| N3 | C15 | C12 | 124.9° | 125.0° |
| C15 | N3 | H11 | 127.7° | 126.4° |
| C23 | C | C1 | 120.6° | 120.5° |
| C | C23 | C22 | 120.7° | 120.7° |
| C | C23 | H15 | 119.7° | 119.7° |
| C23 | C | H16 | 119.7° | 119.8° |
| C | C1 | C2 | 120.3° | 119.8° |
| C | C1 | H7 | 119.9° | 120.1° |
| C1 | C | H16 | 119.7° | 119.7° |
| C23 | C22 | C3 | 118.5° | 119.8° |
| C23 | C22 | H14 | 120.7° | 120.1° |
| C22 | C23 | H15 | 119.6° | 119.6° |
| C15 | C12 | C11 | 113.7° | 109.5° |
| C15 | C12 | C13 | 109.9° | 109.5° |
| C15 | C12 | H21 | 107.8° | 109.5° |
| C1 | C2 | C3 | 118.2° | 119.9° |
| C1 | C2 | C5 | 135.0° | 134.0° |
| C2 | C1 | H7 | 119.9° | 120.1° |
| C22 | C3 | C2 | 121.8° | 119.3° |
| C22 | C3 | N | 130.3° | 133.5° |
| C3 | C22 | H14 | 120.8° | 120.1° |
| C11 | C12 | C13 | 109.5° | 109.5° |
| C12 | C11 | C10 | 111.3° | 109.5° |
| C11 | C12 | H21 | 107.9° | 109.5° |
| C12 | C11 | H22 | 109.0° | 109.5° |
| C12 | C11 | H23 | 109.0° | 109.5° |
| C12 | C13 | C14 | 111.4° | 109.5° |
| C12 | C13 | H19 | 109.0° | 109.4° |
| C12 | C13 | H20 | 109.0° | 109.5° |
| C13 | C12 | H21 | 107.9° | 109.4° |
| C11 | C10 | C9 | 112.2° | 109.5° |
| C10 | C11 | H22 | 109.0° | 109.4° |
| C10 | C11 | H23 | 109.0° | 109.4° |
| C11 | C10 | H24 | 108.8° | 109.5° |
| C11 | C10 | H25 | 108.8° | 109.5° |
| C3 | C2 | C5 | 106.8° | 106.0° |
| C2 | C3 | N | 107.9° | 107.2° |
| C2 | C5 | C4 | 106.9° | 107.0° |
| C2 | C5 | H8 | 126.6° | 126.5° |
| C3 | N | C4 | 109.3° | 109.9° |
| C3 | N | H13 | 125.4° | 125.1° |
| C13 | C14 | C9 | 112.6° | 109.5° |
| C13 | C14 | H17 | 108.7° | 109.5° |
| C13 | C14 | H18 | 108.7° | 109.5° |
| C14 | C13 | H19 | 109.0° | 109.5° |
| C14 | C13 | H20 | 109.0° | 109.4° |
| C5 | C4 | N | 109.1° | 109.9° |
| C5 | C4 | C6 | 131.0° | 125.0° |
| C4 | C5 | H8 | 126.6° | 126.5° |
| C10 | C9 | C14 | 111.0° | 109.5° |
| C10 | C9 | N2 | 112.2° | 109.5° |
| C10 | C9 | H6 | 106.7° | 109.5° |
| C9 | C10 | H24 | 108.8° | 109.4° |
| C9 | C10 | H25 | 108.8° | 109.5° |
| N | C4 | C6 | 119.5° | 125.1° |
| C4 | N | H13 | 125.3° | 125.0° |
| C14 | C9 | N2 | 112.5° | 109.5° |
| C14 | C9 | H6 | 106.7° | 109.5° |
| C9 | C14 | H17 | 108.7° | 109.5° |
| C9 | C14 | H18 | 108.7° | 109.5° |
| C4 | C6 | N1 | 115.5° | 109.5° |
| C4 | C6 | H9 | 108.0° | 109.5° |
| C4 | C6 | H10 | 108.0° | 109.4° |
| C9 | N2 | C8 | 123.7° | 120.0° |
| C9 | N2 | H5 | 118.2° | 120.0° |
| N2 | C9 | H6 | 107.4° | 109.5° |
| N2 | C8 | C7 | 116.9° | 120.0° |
| N2 | C8 | O | 122.9° | 120.0° |
| C8 | N2 | H5 | 118.2° | 120.0° |
| C7 | C8 | O | 120.2° | 120.0° |
| C8 | C7 | N1 | 111.0° | 109.5° |
| C8 | C7 | H3 | 109.1° | 109.5° |
| C8 | C7 | H4 | 109.1° | 109.5° |
| C7 | N1 | C6 | 118.7° | 111.1° |
| C7 | N1 | H1 | 107.1° | 111.0° |
| N1 | C7 | H3 | 109.1° | 109.4° |
| N1 | C7 | H4 | 109.1° | 109.4° |
| C6 | N1 | H1 | 107.1° | 111.0° |
| N1 | C6 | H9 | 107.9° | 109.5° |
| N1 | C6 | H10 | 107.9° | 109.4° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H24 | C10 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H27 | 180.0° | 180.0° |
| C19 | C20 | C21 | H28 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C21 | C16 | 0.6° | 0.0° |
| C20 | C19 | C18 | H26 | 179.9° | 180.0° |
| C19 | C20 | C21 | H29 | 179.4° | 179.9° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C18 | C17 | H26 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.5° | 0.1° |
| C19 | C18 | C17 | N4 | 178.3° | 180.0° |
| C18 | C19 | C20 | H28 | 179.3° | 179.9° |
| C20 | C21 | C16 | H29 | 180.0° | 180.0° |
| C20 | C21 | C16 | C17 | 0.0° | 0.0° |
| C20 | C21 | C16 | N3 | 178.4° | 179.6° |
| C21 | C20 | C19 | H27 | 179.3° | 180.0° |
| C18 | C17 | C16 | C21 | 0.6° | 0.0° |
| C18 | C17 | C16 | N4 | 179.1° | 180.0° |
| C18 | C17 | C16 | N3 | 179.3° | 179.8° |
| C18 | C17 | N4 | C15 | 178.6° | 179.6° |
| C17 | C18 | C19 | H27 | 179.9° | 179.9° |
| C21 | C16 | C17 | N3 | 178.7° | 179.7° |
| C21 | C16 | C17 | N4 | 178.5° | 180.0° |
| C21 | C16 | N3 | C15 | 177.9° | 179.7° |
| C21 | C16 | N3 | H11 | 2.1° | 0.1° |
| C16 | C21 | C20 | H28 | 179.4° | 180.0° |
| C16 | C17 | N4 | C15 | 0.3° | 0.4° |
| C17 | C16 | N3 | C15 | 0.6° | 0.0° |
| C17 | C16 | N3 | H11 | 179.4° | 179.7° |
| C16 | C17 | C18 | H26 | 179.5° | 180.0° |
| C17 | C16 | C21 | H29 | 180.0° | 180.0° |
| N4 | C17 | C16 | N3 | 0.2° | 0.2° |
| C17 | N4 | C15 | N3 | 0.8° | 0.4° |
| C17 | N4 | C15 | C12 | 174.4° | 179.6° |
| N4 | C17 | C18 | H26 | 1.7° | 0.0° |
| C16 | N3 | C15 | N4 | 0.9° | 0.2° |
| C16 | N3 | C15 | H11 | 180.0° | 179.7° |
| C16 | N3 | C15 | C12 | 174.2° | 179.8° |
| N3 | C16 | C21 | H29 | 1.6° | 0.4° |
| N4 | C15 | N3 | C12 | 175.0° | 180.0° |
| N4 | C15 | C12 | C11 | 25.5° | 95.0° |
| N4 | C15 | C12 | C13 | 97.7° | 145.0° |
| N4 | C15 | N3 | H11 | 179.1° | 180.0° |
| N4 | C15 | C12 | H21 | 145.0° | 25.0° |
| N3 | C15 | C12 | C11 | 159.8° | 85.0° |
| N3 | C15 | C12 | C13 | 77.0° | 35.0° |
| N3 | C15 | C12 | H21 | 40.3° | 155.0° |
| C23 | C | C1 | H16 | 180.0° | 180.0° |
| C | C23 | C22 | H15 | 180.0° | 179.1° |
| C23 | C | C1 | C2 | 0.6° | 0.0° |
| C | C23 | C22 | C3 | 0.7° | 0.9° |
| C23 | C | C1 | H7 | 179.4° | 179.7° |
| C | C23 | C22 | H14 | 179.3° | 179.7° |
| C1 | C | C23 | C22 | 0.3° | 0.6° |
| C | C1 | C2 | H7 | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 1.1° | 0.3° |
| C | C1 | C2 | C5 | 179.6° | 179.7° |
| C1 | C | C23 | H15 | 179.7° | 179.7° |
| C23 | C22 | C3 | H14 | 180.0° | 179.4° |
| C23 | C22 | C3 | C2 | 0.2° | 0.6° |
| C23 | C22 | C3 | N | 178.9° | 179.4° |
| C22 | C23 | C | H16 | 179.7° | 179.4° |
| C15 | C12 | C11 | C13 | 123.3° | 120.0° |
| C15 | C12 | C11 | H21 | 119.5° | 120.0° |
| C15 | C12 | C13 | H21 | 117.3° | 120.0° |
| C15 | C12 | C11 | C10 | 179.5° | 180.0° |
| C15 | C12 | C13 | C14 | 177.9° | 180.0° |
| C12 | C15 | N3 | H11 | 5.8° | 0.0° |
| C15 | C12 | C13 | H19 | 57.6° | 60.0° |
| C15 | C12 | C13 | H20 | 61.8° | 60.0° |
| C15 | C12 | C11 | H22 | 60.2° | 60.0° |
| C15 | C12 | C11 | H23 | 59.2° | 60.1° |
| C1 | C2 | C3 | C22 | 0.7° | 0.0° |
| C1 | C2 | C3 | C5 | 178.8° | 180.0° |
| C1 | C2 | C3 | N | 178.3° | 180.0° |
| C1 | C2 | C5 | C4 | 176.9° | 180.0° |
| C1 | C2 | C5 | H8 | 3.1° | 0.1° |
| C2 | C1 | C | H16 | 179.3° | 180.0° |
| C22 | C3 | C2 | N | 179.0° | 180.0° |
| C22 | C3 | C2 | C5 | 179.6° | 180.0° |
| C22 | C3 | N | C4 | 178.1° | 180.0° |
| C22 | C3 | N | H13 | 1.8° | 0.0° |
| C3 | C22 | C23 | H15 | 179.3° | 180.0° |
| C11 | C12 | C13 | H21 | 117.1° | 120.0° |
| C12 | C11 | C10 | H22 | 120.3° | 120.0° |
| C12 | C11 | C10 | H23 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 56.5° | 60.0° |
| C12 | C11 | C10 | C9 | 56.3° | 60.0° |
| C11 | C12 | C13 | H19 | 176.8° | 60.0° |
| C11 | C12 | C13 | H20 | 63.8° | 180.0° |
| C12 | C11 | H22 | H23 | 119.2° | 120.0° |
| C12 | C11 | C10 | H24 | 176.7° | 60.0° |
| C12 | C11 | C10 | H25 | 64.1° | 180.0° |
| C13 | C12 | C11 | C10 | 57.2° | 60.0° |
| C12 | C13 | C14 | H19 | 120.3° | 120.0° |
| C12 | C13 | C14 | H20 | 120.3° | 120.0° |
| C12 | C13 | C14 | C9 | 55.1° | 60.0° |
| C12 | C13 | C14 | H17 | 65.3° | 180.0° |
| C12 | C13 | C14 | H18 | 175.6° | 60.0° |
| C12 | C13 | H19 | H20 | 119.1° | 120.0° |
| C13 | C12 | C11 | H22 | 63.1° | 60.0° |
| C13 | C12 | C11 | H23 | 177.4° | 180.0° |
| C11 | C10 | C9 | H24 | 120.4° | 120.0° |
| C11 | C10 | C9 | H25 | 120.4° | 120.0° |
| C11 | C10 | C9 | C14 | 53.1° | 60.0° |
| C11 | C10 | C9 | N2 | 73.7° | 60.0° |
| C11 | C10 | C9 | H6 | 168.9° | 180.0° |
| C10 | C11 | C12 | H21 | 60.0° | 60.0° |
| C10 | C11 | H22 | H23 | 119.2° | 120.0° |
| C11 | C10 | H24 | H25 | 118.7° | 120.0° |
| C3 | C2 | C5 | C4 | 1.6° | 0.0° |
| C2 | C3 | N | C4 | 0.7° | 0.0° |
| C3 | C2 | C1 | H7 | 178.9° | 180.0° |
| C3 | C2 | C5 | H8 | 178.4° | 180.0° |
| C2 | C3 | N | H13 | 179.3° | 180.0° |
| C2 | C3 | C22 | H14 | 179.8° | 180.0° |
| C5 | C2 | C3 | N | 0.6° | 0.0° |
| C2 | C5 | C4 | H8 | 180.0° | 180.0° |
| C2 | C5 | C4 | N | 2.1° | 0.0° |
| C2 | C5 | C4 | C6 | 169.8° | 180.0° |
| C5 | C2 | C1 | H7 | 0.4° | 0.1° |
| C3 | N | C4 | C5 | 1.8° | 0.0° |
| C3 | N | C4 | H13 | 180.0° | 180.0° |
| C3 | N | C4 | C6 | 171.2° | 180.0° |
| N | C3 | C22 | H14 | 1.1° | 0.0° |
| C13 | C14 | C9 | C10 | 52.5° | 60.0° |
| C13 | C14 | C9 | H17 | 120.5° | 120.0° |
| C13 | C14 | C9 | H18 | 120.4° | 120.0° |
| C13 | C14 | C9 | N2 | 74.1° | 60.0° |
| C13 | C14 | C9 | H6 | 168.4° | 180.0° |
| C13 | C14 | H17 | H18 | 118.6° | 120.0° |
| C14 | C13 | H19 | H20 | 119.1° | 120.0° |
| C14 | C13 | C12 | H21 | 60.7° | 60.0° |
| C5 | C4 | N | C6 | 173.0° | 180.0° |
| C5 | C4 | C6 | N1 | 93.5° | 95.0° |
| C5 | C4 | C6 | H9 | 27.3° | 25.0° |
| C5 | C4 | C6 | H10 | 145.6° | 145.0° |
| C5 | C4 | N | H13 | 178.2° | 180.0° |
| C10 | C9 | C14 | N2 | 126.7° | 120.0° |
| C10 | C9 | C14 | H6 | 115.9° | 120.0° |
| C10 | C9 | N2 | H6 | 117.0° | 120.0° |
| C10 | C9 | N2 | C8 | 163.4° | 85.0° |
| C10 | C9 | N2 | H5 | 16.6° | 95.0° |
| C10 | C9 | C14 | H17 | 67.9° | 180.0° |
| C10 | C9 | C14 | H18 | 173.0° | 60.0° |
| C9 | C10 | C11 | H22 | 64.0° | 60.0° |
| C9 | C10 | C11 | H23 | 176.6° | 180.0° |
| C9 | C10 | H24 | H25 | 118.8° | 120.0° |
| N | C4 | C6 | N1 | 77.7° | 85.0° |
| N | C4 | C5 | H8 | 177.9° | 180.0° |
| N | C4 | C6 | H9 | 161.4° | 155.0° |
| N | C4 | C6 | H10 | 43.1° | 35.0° |
| C14 | C9 | N2 | H6 | 117.1° | 120.0° |
| C14 | C9 | N2 | C8 | 70.6° | 155.0° |
| C14 | C9 | N2 | H5 | 109.4° | 25.0° |
| C9 | C14 | H17 | H18 | 118.6° | 120.0° |
| C9 | C14 | C13 | H19 | 175.4° | 60.0° |
| C9 | C14 | C13 | H20 | 65.2° | 180.0° |
| C14 | C9 | C10 | H24 | 173.5° | 60.0° |
| C14 | C9 | C10 | H25 | 67.3° | 180.0° |
| C4 | C6 | N1 | C7 | 30.6° | 180.0° |
| C4 | C6 | N1 | H9 | 120.9° | 120.1° |
| C4 | C6 | N1 | H10 | 120.9° | 120.0° |
| C4 | C6 | N1 | H1 | 90.7° | 56.0° |
| C6 | C4 | C5 | H8 | 10.2° | 0.0° |
| C4 | C6 | H9 | H10 | 117.3° | 120.0° |
| C6 | C4 | N | H13 | 8.7° | 0.0° |
| C9 | N2 | C8 | H5 | 180.0° | 179.9° |
| C9 | N2 | C8 | C7 | 175.6° | 180.0° |
| C9 | N2 | C8 | O | 5.1° | 0.0° |
| N2 | C9 | C14 | H17 | 165.4° | 60.0° |
| N2 | C9 | C14 | H18 | 46.3° | 180.0° |
| N2 | C9 | C10 | H24 | 46.7° | 180.0° |
| N2 | C9 | C10 | H25 | 165.9° | 60.0° |
| N2 | C8 | C7 | O | 179.3° | 180.0° |
| N2 | C8 | C7 | N1 | 152.6° | 180.0° |
| N2 | C8 | C7 | H3 | 32.3° | 60.0° |
| N2 | C8 | C7 | H4 | 87.2° | 60.0° |
| C8 | N2 | C9 | H6 | 46.4° | 35.0° |
| C8 | C7 | N1 | H3 | 120.2° | 120.0° |
| C8 | C7 | N1 | H4 | 120.2° | 120.1° |
| C8 | C7 | N1 | C6 | 71.2° | 180.0° |
| C8 | C7 | N1 | H1 | 167.5° | 56.0° |
| C8 | C7 | H3 | H4 | 119.3° | 120.1° |
| C7 | C8 | N2 | H5 | 4.4° | 0.1° |
| O | C8 | C7 | N1 | 26.8° | 0.0° |
| O | C8 | C7 | H3 | 147.0° | 120.0° |
| O | C8 | C7 | H4 | 93.4° | 120.0° |
| O | C8 | N2 | H5 | 174.9° | 180.0° |
| C7 | N1 | C6 | H1 | 121.3° | 124.0° |
| N1 | C7 | H3 | H4 | 119.3° | 119.9° |
| C7 | N1 | C6 | H9 | 90.3° | 59.9° |
| C7 | N1 | C6 | H10 | 151.4° | 60.0° |
| C6 | N1 | C7 | H3 | 49.1° | 60.0° |
| C6 | N1 | C7 | H4 | 168.6° | 59.9° |
| N1 | C6 | H9 | H10 | 117.2° | 119.9° |
| H1 | N1 | C7 | H3 | 72.2° | 64.0° |
| H1 | N1 | C7 | H4 | 47.3° | 176.0° |
| H1 | N1 | C6 | H9 | 148.4° | 176.1° |
| H1 | N1 | C6 | H10 | 30.1° | 64.0° |
| H5 | N2 | C9 | H6 | 133.6° | 145.0° |
| H6 | C9 | C14 | H17 | 47.9° | 60.0° |
| H6 | C9 | C14 | H18 | 71.2° | 59.9° |
| H6 | C9 | C10 | H24 | 70.7° | 60.0° |
| H6 | C9 | C10 | H25 | 48.5° | 60.0° |
| H7 | C1 | C | H16 | 0.6° | 0.2° |
| H14 | C22 | C23 | H15 | 0.7° | 0.7° |
| H15 | C23 | C | H16 | 0.3° | 0.3° |
| H17 | C14 | C13 | H19 | 54.9° | 60.0° |
| H17 | C14 | C13 | H20 | 174.4° | 59.9° |
| H18 | C14 | C13 | H19 | 64.2° | 180.0° |
| H18 | C14 | C13 | H20 | 55.3° | 60.0° |
| H19 | C13 | C12 | H21 | 59.7° | 180.0° |
| H20 | C13 | C12 | H21 | 179.1° | 60.0° |
| H21 | C12 | C11 | H22 | 179.8° | 180.0° |
| H21 | C12 | C11 | H23 | 60.3° | 60.0° |
| H22 | C11 | C10 | H24 | 56.5° | 180.0° |
| H22 | C11 | C10 | H25 | 175.6° | 60.0° |
| H23 | C11 | C10 | H24 | 63.0° | 60.0° |
| H23 | C11 | C10 | H25 | 56.2° | 60.0° |
| H26 | C18 | C19 | H27 | 0.1° | 0.0° |
| H27 | C19 | C20 | H28 | 0.7° | 0.1° |
| H28 | C20 | C21 | H29 | 0.6° | 0.0° |
