A1ITA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N8 | sing | 1.47Å | 1.46Å | |
| C21 | N8 | sing | 1.36Å | 1.36Å | Aromatic |
| C21 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N8 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N7 | C20 | sing | 1.34Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | O | sing | 1.43Å | 1.43Å | |
| C14 | N4 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | doub | 1.41Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| O | C12 | sing | 1.43Å | 1.44Å | |
| C | N | sing | 1.46Å | 1.45Å | |
| C20 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| N | C1 | sing | 1.38Å | 1.34Å | |
| C18 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N4 | C8 | sing | 1.40Å | 1.41Å | |
| N4 | C11 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C1 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.43Å | Aromatic |
| C16 | C2 | sing | 1.48Å | 1.49Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N3 | sing | 1.40Å | 1.42Å | |
| C5 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.37Å | |
| C4 | C3 | doub | 1.41Å | 1.42Å | Aromatic |
| N1 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | C15 | sing | 1.47Å | 1.51Å | |
| C15 | O1 | doub | 1.22Å | 1.25Å | |
| C15 | N5 | sing | 1.35Å | 1.33Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N8 | C21 | 127.9° | 126.4° |
| C22 | N8 | C19 | 125.9° | 126.4° |
| N8 | C22 | H13 | 109.5° | 109.5° |
| N8 | C22 | H14 | 109.5° | 109.4° |
| N8 | C22 | H15 | 109.5° | 109.4° |
| N8 | C21 | N7 | 114.4° | 110.0° |
| C21 | N8 | C19 | 106.2° | 107.2° |
| N8 | C21 | H12 | 122.8° | 125.0° |
| C21 | N7 | C20 | 103.7° | 109.8° |
| N7 | C21 | H12 | 122.8° | 125.0° |
| N8 | C19 | C20 | 105.2° | 105.9° |
| N8 | C19 | C18 | 133.3° | 135.0° |
| N7 | C20 | C19 | 110.5° | 107.1° |
| N7 | C20 | C16 | 131.6° | 134.8° |
| C14 | C13 | O | 110.9° | 109.3° |
| C13 | C14 | N4 | 109.7° | 109.3° |
| C14 | C13 | H8 | 109.1° | 109.6° |
| C14 | C13 | H9 | 109.1° | 109.5° |
| C13 | C14 | H10 | 109.4° | 109.5° |
| C13 | C14 | H11 | 109.4° | 109.5° |
| C13 | O | C12 | 110.7° | 113.7° |
| O | C13 | H8 | 109.1° | 109.5° |
| O | C13 | H9 | 109.1° | 109.5° |
| C14 | N4 | C8 | 119.1° | 111.0° |
| C14 | N4 | C11 | 114.1° | 110.7° |
| N4 | C14 | H10 | 109.4° | 109.5° |
| N4 | C14 | H11 | 109.4° | 109.5° |
| C20 | C19 | C18 | 121.5° | 119.2° |
| C19 | C20 | C16 | 117.9° | 118.1° |
| C19 | C18 | N6 | 121.1° | 120.7° |
| C19 | C18 | H18 | 119.4° | 119.7° |
| O | C12 | C11 | 111.5° | 109.2° |
| O | C12 | H6 | 109.0° | 109.5° |
| O | C12 | H7 | 109.0° | 109.5° |
| C | N | C1 | 122.6° | 120.0° |
| C | N | H20 | 106.1° | 120.0° |
| N | C | H21 | 109.5° | 109.4° |
| N | C | H22 | 109.5° | 109.5° |
| N | C | H23 | 109.5° | 109.5° |
| C20 | C16 | C2 | 121.3° | 120.7° |
| C20 | C16 | C17 | 116.3° | 118.5° |
| N | C1 | N2 | 116.9° | 120.0° |
| N | C1 | C2 | 121.2° | 120.0° |
| C1 | N | H20 | 106.1° | 120.0° |
| C18 | N6 | C17 | 118.1° | 122.5° |
| N6 | C18 | H18 | 119.4° | 119.6° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C7 | C6 | C5 | 120.5° | 120.0° |
| C6 | C7 | H1 | 119.6° | 120.0° |
| C7 | C6 | H25 | 119.7° | 119.9° |
| C7 | C8 | N4 | 120.6° | 120.0° |
| C7 | C8 | C9 | 118.4° | 120.0° |
| C8 | C7 | H1 | 119.6° | 120.0° |
| C8 | N4 | C11 | 120.6° | 111.0° |
| N4 | C8 | C9 | 121.0° | 120.0° |
| N4 | C11 | C12 | 110.1° | 109.3° |
| N4 | C11 | H4 | 109.3° | 109.5° |
| N4 | C11 | H5 | 109.3° | 109.5° |
| C12 | C11 | H4 | 109.3° | 109.5° |
| C12 | C11 | H5 | 109.3° | 109.5° |
| C11 | C12 | H6 | 109.0° | 109.6° |
| C11 | C12 | H7 | 109.0° | 109.6° |
| N2 | C1 | C2 | 121.9° | 120.1° |
| C1 | N2 | C4 | 116.4° | 120.0° |
| C1 | C2 | C16 | 125.5° | 120.0° |
| C1 | C2 | N1 | 121.3° | 120.0° |
| C2 | C16 | C17 | 122.2° | 120.8° |
| C16 | C2 | N1 | 113.2° | 120.0° |
| C16 | C17 | N6 | 125.1° | 121.1° |
| C16 | C17 | H19 | 117.5° | 119.4° |
| C6 | C5 | N3 | 121.8° | 120.0° |
| C6 | C5 | C10 | 118.9° | 120.0° |
| C5 | C6 | H25 | 119.8° | 120.1° |
| C8 | C9 | C10 | 120.9° | 120.0° |
| C8 | C9 | H2 | 119.6° | 120.0° |
| N2 | C4 | N3 | 118.8° | 120.0° |
| N2 | C4 | C3 | 122.0° | 120.0° |
| C2 | N1 | C3 | 116.9° | 120.0° |
| N6 | C17 | H19 | 117.4° | 119.5° |
| N3 | C5 | C10 | 119.3° | 120.0° |
| C5 | N3 | C4 | 130.9° | 120.0° |
| C5 | N3 | H24 | 114.6° | 120.0° |
| C5 | C10 | C9 | 120.5° | 120.0° |
| C5 | C10 | H3 | 119.7° | 120.0° |
| C10 | C9 | H2 | 119.5° | 120.0° |
| C9 | C10 | H3 | 119.8° | 120.0° |
| N3 | C4 | C3 | 119.2° | 120.0° |
| C4 | N3 | H24 | 114.5° | 120.0° |
| C4 | C3 | N1 | 121.6° | 120.0° |
| C4 | C3 | C15 | 122.6° | 120.0° |
| N1 | C3 | C15 | 115.8° | 120.0° |
| C3 | C15 | O1 | 121.2° | 119.9° |
| C3 | C15 | N5 | 116.1° | 120.0° |
| O1 | C15 | N5 | 122.7° | 120.0° |
| C15 | N5 | H16 | 120.0° | 120.0° |
| C15 | N5 | H17 | 120.0° | 120.0° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H15 | 109.5° | 109.6° |
| H14 | C22 | H15 | 109.4° | 109.5° |
| H16 | N5 | H17 | 120.0° | 120.0° |
| H21 | C | H22 | 109.4° | 109.4° |
| H21 | C | H23 | 109.4° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N8 | C21 | C19 | 179.9° | 180.0° |
| C22 | N8 | C21 | N7 | 179.9° | 180.0° |
| C22 | N8 | C19 | C20 | 179.9° | 180.0° |
| C22 | N8 | C19 | C18 | 0.1° | 0.1° |
| C22 | N8 | C21 | H12 | 0.1° | 0.0° |
| N8 | C22 | H13 | H14 | 120.0° | 120.0° |
| N8 | C22 | H13 | H15 | 120.0° | 120.0° |
| N8 | C22 | H14 | H15 | 120.0° | 119.9° |
| N8 | C21 | N7 | H12 | 180.0° | 180.0° |
| N8 | C21 | N7 | C20 | 0.0° | 0.0° |
| C21 | N8 | C19 | C20 | 0.0° | 0.0° |
| C21 | N8 | C19 | C18 | 180.0° | 180.0° |
| C21 | N8 | C22 | H13 | 180.0° | 90.0° |
| C21 | N8 | C22 | H14 | 60.0° | 150.0° |
| C21 | N8 | C22 | H15 | 60.0° | 30.1° |
| N7 | C21 | N8 | C19 | 0.0° | 0.0° |
| C21 | N7 | C20 | C19 | 0.0° | 0.0° |
| C21 | N7 | C20 | C16 | 178.8° | 180.0° |
| N8 | C19 | C20 | N7 | 0.0° | 0.0° |
| N8 | C19 | C20 | C18 | 180.0° | 180.0° |
| N8 | C19 | C20 | C16 | 178.9° | 180.0° |
| N8 | C19 | C18 | N6 | 179.8° | 180.0° |
| C19 | N8 | C21 | H12 | 179.9° | 180.0° |
| C19 | N8 | C22 | H13 | 0.2° | 90.0° |
| C19 | N8 | C22 | H14 | 120.2° | 30.0° |
| C19 | N8 | C22 | H15 | 119.9° | 149.9° |
| N8 | C19 | C18 | H18 | 0.1° | 0.1° |
| N7 | C20 | C19 | C16 | 178.9° | 180.0° |
| N7 | C20 | C19 | C18 | 180.0° | 180.0° |
| N7 | C20 | C16 | C2 | 3.7° | 0.0° |
| N7 | C20 | C16 | C17 | 179.2° | 180.0° |
| C20 | N7 | C21 | H12 | 179.9° | 180.0° |
| C14 | C13 | O | H8 | 120.2° | 120.0° |
| C14 | C13 | O | H9 | 120.2° | 120.0° |
| C13 | C14 | N4 | H10 | 120.0° | 119.9° |
| C13 | C14 | N4 | H11 | 120.0° | 119.9° |
| C14 | C13 | O | C12 | 61.2° | 58.7° |
| C13 | C14 | N4 | C8 | 155.4° | 177.7° |
| C13 | C14 | N4 | C11 | 52.1° | 58.6° |
| C14 | C13 | H8 | H9 | 119.3° | 120.2° |
| C13 | C14 | H10 | H11 | 119.9° | 120.1° |
| O | C13 | C14 | N4 | 56.6° | 56.8° |
| C13 | O | C12 | C11 | 59.4° | 58.7° |
| C13 | O | C12 | H6 | 179.7° | 61.3° |
| C13 | O | C12 | H7 | 60.9° | 178.6° |
| O | C13 | H8 | H9 | 119.4° | 120.0° |
| O | C13 | C14 | H10 | 176.6° | 176.8° |
| O | C13 | C14 | H11 | 63.4° | 63.1° |
| C14 | N4 | C8 | C7 | 48.9° | 180.0° |
| C14 | N4 | C8 | C11 | 150.7° | 123.6° |
| C14 | N4 | C11 | C12 | 50.3° | 58.6° |
| C14 | N4 | C8 | C9 | 131.1° | 0.0° |
| C14 | N4 | C11 | H4 | 170.3° | 61.3° |
| C14 | N4 | C11 | H5 | 69.8° | 178.6° |
| N4 | C14 | C13 | H8 | 176.8° | 176.8° |
| N4 | C14 | C13 | H9 | 63.6° | 63.1° |
| N4 | C14 | H10 | H11 | 119.9° | 120.1° |
| C20 | C19 | C18 | N6 | 0.2° | 0.1° |
| C19 | C20 | C16 | C2 | 177.6° | 180.0° |
| C19 | C20 | C16 | C17 | 2.1° | 0.0° |
| C20 | C19 | C18 | H18 | 179.9° | 179.9° |
| C18 | C19 | C20 | C16 | 1.1° | 0.0° |
| C19 | C18 | N6 | H18 | 180.0° | 179.9° |
| C19 | C18 | N6 | C17 | 0.2° | 0.0° |
| O | C12 | C11 | N4 | 52.8° | 56.9° |
| O | C12 | C11 | H6 | 120.3° | 119.9° |
| O | C12 | C11 | H7 | 120.3° | 119.9° |
| O | C12 | C11 | H4 | 172.9° | 63.1° |
| O | C12 | C11 | H5 | 67.3° | 176.9° |
| O | C12 | H6 | H7 | 119.1° | 120.0° |
| C12 | O | C13 | H8 | 178.6° | 178.6° |
| C12 | O | C13 | H9 | 59.0° | 61.3° |
| C | N | C1 | H20 | 121.8° | 180.0° |
| C | N | C1 | N2 | 27.7° | 4.7° |
| C | N | C1 | C2 | 151.5° | 175.6° |
| N | C | H21 | H22 | 120.0° | 120.0° |
| N | C | H21 | H23 | 120.0° | 120.0° |
| N | C | H22 | H23 | 120.0° | 120.1° |
| C20 | C16 | C2 | C1 | 45.0° | 88.2° |
| C20 | C16 | C2 | C17 | 175.2° | 179.9° |
| C20 | C16 | C2 | N1 | 131.7° | 91.9° |
| C20 | C16 | C17 | N6 | 2.2° | 0.0° |
| C20 | C16 | C17 | H19 | 177.8° | 180.0° |
| N | C1 | N2 | C2 | 179.2° | 179.7° |
| N | C1 | C2 | C16 | 2.9° | 0.3° |
| N | C1 | N2 | C4 | 180.0° | 179.7° |
| N | C1 | C2 | N1 | 179.4° | 179.7° |
| C1 | N | C | H21 | 180.0° | 180.0° |
| C1 | N | C | H22 | 60.0° | 60.0° |
| C1 | N | C | H23 | 60.0° | 60.0° |
| C18 | N6 | C17 | C16 | 1.0° | 0.0° |
| C18 | N6 | C17 | H19 | 179.0° | 179.9° |
| C6 | C7 | C8 | H1 | 180.0° | 179.7° |
| C6 | C7 | C8 | N4 | 179.9° | 180.0° |
| C7 | C6 | C5 | H25 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C7 | C6 | C5 | N3 | 179.5° | 179.9° |
| C7 | C6 | C5 | C10 | 0.0° | 0.0° |
| C7 | C8 | N4 | C9 | 180.0° | 180.0° |
| C7 | C8 | N4 | C11 | 160.4° | 56.4° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H2 | 179.9° | 180.0° |
| C8 | C7 | C6 | H25 | 179.8° | 180.0° |
| C8 | N4 | C11 | C12 | 157.7° | 177.6° |
| N4 | C8 | C9 | C10 | 179.9° | 180.0° |
| N4 | C8 | C7 | H1 | 0.1° | 0.3° |
| N4 | C8 | C9 | H2 | 0.1° | 0.0° |
| C8 | N4 | C11 | H4 | 37.6° | 62.4° |
| C8 | N4 | C11 | H5 | 82.2° | 57.6° |
| C8 | N4 | C14 | H10 | 35.4° | 57.7° |
| C8 | N4 | C14 | H11 | 84.6° | 62.4° |
| N4 | C11 | C12 | H4 | 120.1° | 120.0° |
| N4 | C11 | C12 | H5 | 120.1° | 120.0° |
| C11 | N4 | C8 | C9 | 19.5° | 123.7° |
| N4 | C11 | H4 | H5 | 119.7° | 120.1° |
| N4 | C11 | C12 | H6 | 173.1° | 63.0° |
| N4 | C11 | C12 | H7 | 67.5° | 176.8° |
| C11 | N4 | C14 | H10 | 172.1° | 178.5° |
| C11 | N4 | C14 | H11 | 68.0° | 61.3° |
| C12 | C11 | H4 | H5 | 119.7° | 120.1° |
| C11 | C12 | H6 | H7 | 119.1° | 120.2° |
| N2 | C1 | C2 | C16 | 178.0° | 180.0° |
| N2 | C1 | C2 | N1 | 1.5° | 0.1° |
| C1 | N2 | C4 | N3 | 179.5° | 180.0° |
| C1 | N2 | C4 | C3 | 0.2° | 0.0° |
| N2 | C1 | N | H20 | 149.5° | 175.3° |
| C1 | C2 | C16 | N1 | 176.7° | 180.0° |
| C1 | C2 | C16 | C17 | 139.7° | 91.9° |
| C2 | C1 | N2 | C4 | 0.8° | 0.0° |
| C1 | C2 | N1 | C3 | 1.5° | 0.0° |
| C2 | C1 | N | H20 | 29.7° | 4.4° |
| C2 | C16 | C17 | N6 | 177.7° | 180.0° |
| C16 | C2 | N1 | C3 | 178.4° | 180.0° |
| C2 | C16 | C17 | H19 | 2.4° | 0.1° |
| C17 | C16 | C2 | N1 | 43.5° | 88.1° |
| C16 | C17 | N6 | H19 | 180.0° | 179.9° |
| C6 | C5 | N3 | C10 | 179.5° | 180.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.0° |
| C6 | C5 | N3 | C4 | 11.0° | 34.9° |
| C5 | C6 | C7 | H1 | 179.8° | 179.7° |
| C6 | C5 | C10 | H3 | 179.9° | 180.0° |
| C6 | C5 | N3 | H24 | 169.0° | 145.1° |
| C8 | C9 | C10 | C5 | 0.2° | 0.0° |
| C8 | C9 | C10 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | H1 | 179.9° | 179.7° |
| C8 | C9 | C10 | H3 | 179.8° | 180.0° |
| N2 | C4 | N3 | C5 | 22.7° | 5.1° |
| N2 | C4 | N3 | C3 | 179.7° | 180.0° |
| N2 | C4 | C3 | N1 | 0.2° | 0.1° |
| N2 | C4 | C3 | C15 | 179.2° | 180.0° |
| N2 | C4 | N3 | H24 | 157.3° | 174.9° |
| C2 | N1 | C3 | C4 | 0.9° | 0.1° |
| C2 | N1 | C3 | C15 | 178.6° | 180.0° |
| C17 | N6 | C18 | H18 | 179.8° | 179.9° |
| N3 | C5 | C10 | C9 | 179.7° | 179.9° |
| C5 | N3 | C4 | H24 | 180.0° | 180.0° |
| C5 | N3 | C4 | C3 | 157.0° | 174.9° |
| N3 | C5 | C10 | H3 | 0.4° | 0.0° |
| N3 | C5 | C6 | H25 | 0.5° | 0.0° |
| C5 | C10 | C9 | H3 | 180.0° | 180.0° |
| C10 | C5 | N3 | C4 | 169.4° | 145.1° |
| C5 | C10 | C9 | H2 | 179.8° | 180.0° |
| C10 | C5 | N3 | H24 | 10.5° | 34.9° |
| C10 | C5 | C6 | H25 | 179.9° | 180.0° |
| N3 | C4 | C3 | N1 | 179.4° | 180.0° |
| N3 | C4 | C3 | C15 | 1.2° | 0.1° |
| C4 | C3 | N1 | C15 | 179.5° | 179.9° |
| C4 | C3 | C15 | O1 | 2.3° | 5.5° |
| C4 | C3 | C15 | N5 | 176.9° | 174.5° |
| C3 | C4 | N3 | H24 | 23.0° | 5.1° |
| N1 | C3 | C15 | O1 | 178.2° | 174.6° |
| N1 | C3 | C15 | N5 | 2.5° | 5.4° |
| C3 | C15 | O1 | N5 | 179.2° | 180.0° |
| C3 | C15 | N5 | H16 | 179.2° | 0.0° |
| C3 | C15 | N5 | H17 | 0.8° | 180.0° |
| O1 | C15 | N5 | H16 | 0.0° | 180.0° |
| O1 | C15 | N5 | H17 | 180.0° | 0.0° |
| C15 | N5 | H16 | H17 | 180.0° | 179.9° |
| H1 | C7 | C6 | H25 | 0.2° | 0.3° |
| H2 | C9 | C10 | H3 | 0.2° | 0.0° |
| H4 | C11 | C12 | H6 | 66.9° | 177.0° |
| H4 | C11 | C12 | H7 | 52.5° | 56.8° |
| H5 | C11 | C12 | H6 | 53.0° | 57.0° |
| H5 | C11 | C12 | H7 | 172.4° | 63.2° |
| H8 | C13 | C14 | H10 | 63.1° | 63.3° |
| H8 | C13 | C14 | H11 | 56.8° | 56.8° |
| H9 | C13 | C14 | H10 | 56.4° | 56.9° |
| H9 | C13 | C14 | H11 | 176.4° | 177.0° |
| H13 | C22 | H14 | H15 | 120.0° | 120.1° |
| H20 | N | C | H21 | 58.2° | 0.0° |
| H20 | N | C | H22 | 61.8° | 120.0° |
| H20 | N | C | H23 | 178.2° | 120.0° |
| H21 | C | H22 | H23 | 120.0° | 120.0° |
