TI8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| O4 | C6 | sing | 1.44Å | 1.45Å | |
| O4 | C3 | sing | 1.44Å | 1.41Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.54Å | 1.53Å | |
| C9 | O2 | sing | 1.45Å | 1.45Å | |
| N4 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| N4 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| O1 | C5 | sing | 1.43Å | 1.42Å | |
| C21 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C2 | N1 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| N1 | C13 | sing | 1.37Å | 1.38Å | Aromatic |
| N5 | C | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.55Å | 1.52Å | |
| C1 | C | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C | N | sing | 1.39Å | 1.33Å | |
| O3 | C10 | doub | 1.22Å | 1.20Å | |
| C13 | N2 | sing | 1.38Å | 1.33Å | |
| C13 | N3 | doub | 1.31Å | 1.31Å | Aromatic |
| O2 | C10 | sing | 1.35Å | 1.35Å | |
| N2 | C14 | sing | 1.46Å | 1.46Å | |
| C4 | O | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | doub | 1.33Å | 1.28Å | |
| C15 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | CL | sing | 1.74Å | 1.75Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| O1 | H22 | sing | 0.97Å | 0.95Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 112.6° | 109.5° |
| C8 | C9 | O2 | 109.1° | 109.4° |
| C9 | C8 | H7 | 108.7° | 109.5° |
| C9 | C8 | H8 | 108.7° | 109.5° |
| C8 | C9 | H9 | 109.6° | 109.5° |
| C8 | C9 | H10 | 109.6° | 109.5° |
| C8 | C7 | C6 | 114.4° | 109.5° |
| C8 | C7 | H5 | 108.2° | 109.5° |
| C8 | C7 | H6 | 108.2° | 109.4° |
| C7 | C8 | H7 | 108.7° | 109.5° |
| C7 | C8 | H8 | 108.7° | 109.4° |
| C6 | O4 | C3 | 108.6° | 107.0° |
| O4 | C6 | C7 | 112.0° | 109.9° |
| O4 | C6 | C5 | 105.6° | 107.3° |
| O4 | C6 | H4 | 108.5° | 110.0° |
| O4 | C3 | N1 | 109.0° | 110.6° |
| O4 | C3 | C4 | 105.1° | 103.5° |
| O4 | C3 | H1 | 109.4° | 110.8° |
| C7 | C6 | C5 | 115.4° | 109.9° |
| C7 | C6 | H4 | 107.6° | 109.8° |
| C6 | C7 | H5 | 108.2° | 109.5° |
| C6 | C7 | H6 | 108.2° | 109.5° |
| C6 | C5 | O1 | 111.7° | 110.6° |
| C6 | C5 | C4 | 101.9° | 104.2° |
| C6 | C5 | H3 | 110.6° | 110.5° |
| C5 | C6 | H4 | 107.4° | 109.9° |
| C9 | O2 | C10 | 117.9° | 117.0° |
| O2 | C9 | H9 | 109.6° | 109.4° |
| O2 | C9 | H10 | 109.6° | 109.5° |
| C21 | N4 | C2 | 111.6° | 120.6° |
| N4 | C21 | N5 | 128.5° | 122.4° |
| N4 | C21 | H16 | 115.8° | 118.8° |
| N4 | C2 | N1 | 127.8° | 134.7° |
| N4 | C2 | C1 | 126.5° | 119.1° |
| O1 | C5 | C4 | 109.2° | 110.5° |
| O1 | C5 | H3 | 112.3° | 110.4° |
| C5 | O1 | H22 | 109.5° | 114.0° |
| C21 | N5 | C | 118.6° | 121.2° |
| N5 | C21 | H16 | 115.8° | 118.8° |
| N1 | C3 | C4 | 116.2° | 110.6° |
| C3 | N1 | C2 | 126.1° | 126.3° |
| C3 | N1 | C13 | 127.8° | 126.3° |
| N1 | C3 | H1 | 108.9° | 110.6° |
| C3 | C4 | C5 | 99.1° | 102.1° |
| C3 | C4 | O | 111.2° | 110.9° |
| C4 | C3 | H1 | 108.0° | 110.6° |
| C3 | C4 | H2 | 110.5° | 110.9° |
| N1 | C2 | C1 | 105.6° | 106.2° |
| C2 | N1 | C13 | 105.7° | 107.4° |
| C2 | C1 | C | 116.8° | 118.2° |
| C2 | C1 | N3 | 111.1° | 107.3° |
| N1 | C13 | N2 | 124.9° | 125.1° |
| N1 | C13 | N3 | 113.7° | 109.8° |
| N5 | C | C1 | 118.0° | 118.5° |
| N5 | C | N | 118.1° | 120.8° |
| C5 | C4 | O | 112.8° | 110.9° |
| C5 | C4 | H2 | 110.5° | 111.0° |
| C4 | C5 | H3 | 110.7° | 110.4° |
| C | C1 | N3 | 132.1° | 134.5° |
| C1 | C | N | 123.9° | 120.8° |
| C1 | N3 | C13 | 103.9° | 109.4° |
| C | N | H11 | 109.5° | 120.0° |
| C | N | H12 | 109.5° | 120.0° |
| O3 | C10 | O2 | 122.8° | 119.9° |
| O3 | C10 | C11 | 124.6° | 120.0° |
| N2 | C13 | N3 | 121.4° | 125.1° |
| C13 | N2 | C14 | 121.3° | 120.0° |
| C13 | N2 | H19 | 106.4° | 119.9° |
| O2 | C10 | C11 | 112.6° | 120.0° |
| N2 | C14 | C15 | 112.5° | 109.4° |
| C14 | N2 | H19 | 106.5° | 120.1° |
| N2 | C14 | H20 | 108.7° | 109.5° |
| N2 | C14 | H21 | 108.7° | 109.5° |
| O | C4 | H2 | 112.1° | 110.8° |
| C4 | O | H13 | 109.5° | 114.0° |
| C10 | C11 | C12 | 123.1° | 120.0° |
| C10 | C11 | H17 | 118.5° | 120.0° |
| C14 | C15 | C20 | 120.7° | 120.0° |
| C14 | C15 | C16 | 121.0° | 119.9° |
| C15 | C14 | H20 | 108.7° | 109.4° |
| C15 | C14 | H21 | 108.7° | 109.4° |
| C11 | C12 | H14 | 120.0° | 120.0° |
| C11 | C12 | H15 | 120.0° | 120.0° |
| C12 | C11 | H17 | 118.5° | 120.0° |
| C20 | C15 | C16 | 118.3° | 120.1° |
| C15 | C20 | C19 | 121.2° | 120.0° |
| C15 | C20 | H23 | 119.4° | 120.0° |
| C15 | C16 | C17 | 121.1° | 120.0° |
| C15 | C16 | H18 | 119.4° | 120.0° |
| C20 | C19 | C18 | 119.1° | 120.0° |
| C19 | C20 | H23 | 119.4° | 120.0° |
| C20 | C19 | H25 | 120.5° | 120.0° |
| C16 | C17 | C18 | 119.1° | 120.0° |
| C17 | C16 | H18 | 119.4° | 120.0° |
| C16 | C17 | H24 | 120.5° | 120.0° |
| C19 | C18 | C17 | 121.1° | 120.0° |
| C19 | C18 | CL | 119.4° | 120.0° |
| C18 | C19 | H25 | 120.4° | 120.0° |
| C17 | C18 | CL | 119.4° | 120.0° |
| C18 | C17 | H24 | 120.4° | 120.0° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | N | H12 | 109.5° | 120.0° |
| H14 | C12 | H15 | 120.0° | 120.0° |
| H20 | C14 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H7 | 120.5° | 120.0° |
| C9 | C8 | C7 | H8 | 120.5° | 120.0° |
| C9 | C8 | C7 | C6 | 179.3° | 180.0° |
| C8 | C9 | O2 | H9 | 119.9° | 120.0° |
| C8 | C9 | O2 | H10 | 119.9° | 120.0° |
| C8 | C9 | O2 | C10 | 152.4° | 180.0° |
| C9 | C8 | C7 | H5 | 60.0° | 60.0° |
| C9 | C8 | C7 | H6 | 58.5° | 60.0° |
| C9 | C8 | H7 | H8 | 118.6° | 120.1° |
| C8 | C9 | H9 | H10 | 120.2° | 120.1° |
| C8 | C7 | C6 | O4 | 40.1° | 67.1° |
| C8 | C7 | C6 | H5 | 120.7° | 120.0° |
| C8 | C7 | C6 | H6 | 120.7° | 120.0° |
| C8 | C7 | C6 | C5 | 161.0° | 175.0° |
| C7 | C8 | C9 | O2 | 61.7° | 180.0° |
| C8 | C7 | C6 | H4 | 79.1° | 54.0° |
| C8 | C7 | H5 | H6 | 117.8° | 120.0° |
| C7 | C8 | H7 | H8 | 118.5° | 119.9° |
| C7 | C8 | C9 | H9 | 178.4° | 60.0° |
| C7 | C8 | C9 | H10 | 58.3° | 60.0° |
| O4 | C6 | C7 | C5 | 120.9° | 117.8° |
| O4 | C6 | C7 | H4 | 119.2° | 121.1° |
| O4 | C6 | C5 | H4 | 115.7° | 119.6° |
| O4 | C6 | C5 | O1 | 90.5° | 120.7° |
| C6 | O4 | C3 | N1 | 152.7° | 158.6° |
| C6 | O4 | C3 | C4 | 27.5° | 40.1° |
| O4 | C6 | C5 | C4 | 26.0° | 2.0° |
| C6 | O4 | C3 | H1 | 88.2° | 78.5° |
| O4 | C6 | C5 | H3 | 143.7° | 116.6° |
| O4 | C6 | C7 | H5 | 80.6° | 172.9° |
| O4 | C6 | C7 | H6 | 160.8° | 52.8° |
| C3 | O4 | C6 | C7 | 127.0° | 145.9° |
| C3 | O4 | C6 | C5 | 0.7° | 26.5° |
| O4 | C3 | N1 | C4 | 118.5° | 114.1° |
| O4 | C3 | N1 | H1 | 119.3° | 123.1° |
| O4 | C3 | C4 | H1 | 116.7° | 118.6° |
| O4 | C3 | N1 | C2 | 136.2° | 39.1° |
| O4 | C3 | N1 | C13 | 51.1° | 140.9° |
| O4 | C3 | C4 | C5 | 42.6° | 37.0° |
| O4 | C3 | C4 | O | 161.5° | 155.2° |
| O4 | C3 | C4 | H2 | 73.4° | 81.3° |
| C3 | O4 | C6 | H4 | 114.3° | 93.0° |
| C7 | C6 | C5 | H4 | 120.0° | 121.0° |
| C7 | C6 | C5 | O1 | 145.3° | 119.9° |
| C7 | C6 | C5 | C4 | 98.3° | 121.4° |
| C7 | C6 | C5 | H3 | 19.4° | 2.8° |
| C6 | C7 | H5 | H6 | 117.8° | 120.0° |
| C6 | C7 | C8 | H7 | 58.8° | 60.0° |
| C6 | C7 | C8 | H8 | 60.2° | 60.0° |
| C6 | C5 | O1 | C4 | 111.9° | 114.8° |
| C6 | C5 | O1 | H3 | 124.9° | 122.7° |
| C6 | C5 | C4 | C3 | 40.5° | 20.9° |
| C6 | C5 | C4 | H3 | 117.6° | 118.7° |
| C6 | C5 | C4 | O | 158.2° | 139.1° |
| C6 | C5 | C4 | H2 | 75.5° | 97.3° |
| C5 | C6 | C7 | H5 | 40.3° | 55.0° |
| C5 | C6 | C7 | H6 | 78.3° | 65.0° |
| C6 | C5 | O1 | H22 | 180.0° | 176.3° |
| C9 | O2 | C10 | O3 | 3.9° | 0.0° |
| C9 | O2 | C10 | C11 | 175.4° | 180.0° |
| O2 | C9 | C8 | H7 | 177.8° | 60.0° |
| O2 | C9 | C8 | H8 | 58.8° | 60.0° |
| O2 | C9 | H9 | H10 | 120.2° | 120.0° |
| N4 | C21 | N5 | H16 | 180.0° | 179.4° |
| C21 | N4 | C2 | N1 | 179.6° | 180.0° |
| C21 | N4 | C2 | C1 | 0.2° | 0.0° |
| N4 | C21 | N5 | C | 0.0° | 0.6° |
| C2 | N4 | C21 | N5 | 0.3° | 0.3° |
| N4 | C2 | N1 | C3 | 6.5° | 0.0° |
| N4 | C2 | N1 | C1 | 179.5° | 180.0° |
| N4 | C2 | N1 | C13 | 179.5° | 180.0° |
| N4 | C2 | C1 | C | 0.1° | 0.0° |
| N4 | C2 | C1 | N3 | 179.7° | 180.0° |
| C2 | N4 | C21 | H16 | 179.7° | 179.7° |
| O1 | C5 | C4 | C3 | 77.8° | 98.0° |
| O1 | C5 | C4 | H3 | 124.2° | 122.5° |
| O1 | C5 | C4 | O | 39.9° | 20.2° |
| O1 | C5 | C4 | H2 | 166.2° | 143.8° |
| O1 | C5 | C6 | H4 | 25.3° | 1.1° |
| C21 | N5 | C | C1 | 0.4° | 0.5° |
| C21 | N5 | C | N | 180.0° | 179.7° |
| N1 | C3 | C4 | H1 | 122.7° | 122.8° |
| C3 | N1 | C2 | C13 | 174.0° | 180.0° |
| C3 | N1 | C2 | C1 | 173.0° | 180.0° |
| N1 | C3 | C4 | C5 | 163.2° | 155.6° |
| C3 | N1 | C13 | N2 | 8.2° | 0.0° |
| C3 | N1 | C13 | N3 | 172.9° | 180.0° |
| N1 | C3 | C4 | O | 77.9° | 86.3° |
| N1 | C3 | C4 | H2 | 47.2° | 37.3° |
| C4 | C3 | N1 | C2 | 105.3° | 75.0° |
| C4 | C3 | N1 | C13 | 67.4° | 105.0° |
| C3 | C4 | C5 | O | 117.7° | 118.2° |
| C3 | C4 | C5 | H2 | 116.0° | 118.2° |
| C3 | C4 | O | H2 | 124.2° | 123.6° |
| C3 | C4 | C5 | H3 | 158.0° | 139.6° |
| C3 | C4 | O | H13 | 180.0° | 180.0° |
| N1 | C2 | C1 | C | 179.3° | 179.9° |
| N1 | C2 | C1 | N3 | 0.8° | 0.0° |
| C2 | N1 | C13 | N2 | 177.9° | 180.0° |
| C2 | N1 | C13 | N3 | 0.9° | 0.0° |
| C2 | N1 | C3 | H1 | 16.9° | 162.1° |
| C1 | C2 | N1 | C13 | 1.0° | 0.0° |
| C2 | C1 | C | N5 | 0.5° | 0.2° |
| C2 | C1 | C | N3 | 179.8° | 179.9° |
| C2 | C1 | C | N | 180.0° | 180.0° |
| C2 | C1 | N3 | C13 | 0.2° | 0.1° |
| N1 | C13 | N3 | C1 | 0.5° | 0.1° |
| N1 | C13 | N2 | N3 | 178.8° | 180.0° |
| N1 | C13 | N2 | C14 | 179.3° | 180.0° |
| C13 | N1 | C3 | H1 | 170.5° | 17.9° |
| N1 | C13 | N2 | H19 | 59.1° | 0.0° |
| N5 | C | C1 | N | 179.5° | 179.8° |
| N5 | C | C1 | N3 | 179.4° | 179.7° |
| N5 | C | N | H11 | 0.0° | 179.7° |
| N5 | C | N | H12 | 120.0° | 0.2° |
| C | N5 | C21 | H16 | 179.9° | 179.9° |
| C5 | C4 | O | H2 | 125.5° | 123.7° |
| C5 | C4 | C3 | H1 | 74.1° | 81.6° |
| C4 | C5 | C6 | H4 | 141.7° | 117.6° |
| C5 | C4 | O | H13 | 69.7° | 67.3° |
| C4 | C5 | O1 | H22 | 68.1° | 61.5° |
| C | C1 | N3 | C13 | 179.9° | 179.9° |
| C1 | C | N | H11 | 179.6° | 0.1° |
| C1 | C | N | H12 | 59.5° | 180.0° |
| N3 | C1 | C | N | 0.2° | 0.1° |
| C1 | N3 | C13 | N2 | 178.4° | 180.0° |
| C | N | H11 | H12 | 120.0° | 179.9° |
| O3 | C10 | O2 | C11 | 179.3° | 180.0° |
| O3 | C10 | C11 | C12 | 179.1° | 0.0° |
| O3 | C10 | C11 | H17 | 0.9° | 180.0° |
| C13 | N2 | C14 | H19 | 121.7° | 179.9° |
| C13 | N2 | C14 | C15 | 88.2° | 180.0° |
| C13 | N2 | C14 | H20 | 32.2° | 60.0° |
| C13 | N2 | C14 | H21 | 151.4° | 60.1° |
| N3 | C13 | N2 | C14 | 2.0° | 0.0° |
| N3 | C13 | N2 | H19 | 119.7° | 179.9° |
| O2 | C10 | C11 | C12 | 0.2° | 180.0° |
| C10 | O2 | C9 | H9 | 32.5° | 60.0° |
| C10 | O2 | C9 | H10 | 87.6° | 60.0° |
| O2 | C10 | C11 | H17 | 179.8° | 0.0° |
| N2 | C14 | C15 | H20 | 120.4° | 120.0° |
| N2 | C14 | C15 | H21 | 120.5° | 120.0° |
| N2 | C14 | C15 | C20 | 30.4° | 90.0° |
| N2 | C14 | C15 | C16 | 149.8° | 90.0° |
| N2 | C14 | H20 | H21 | 118.7° | 120.0° |
| O | C4 | C3 | H1 | 44.8° | 36.6° |
| O | C4 | C5 | H3 | 84.3° | 102.2° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | H14 | 0.0° | 0.0° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C14 | C15 | C20 | C16 | 179.9° | 180.0° |
| C14 | C15 | C20 | C19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.8° | 180.0° |
| C14 | C15 | C16 | H18 | 0.2° | 0.2° |
| C15 | C14 | N2 | H19 | 150.2° | 0.1° |
| C15 | C14 | H20 | H21 | 118.6° | 120.0° |
| C14 | C15 | C20 | H23 | 0.0° | 0.1° |
| C11 | C12 | H14 | H15 | 180.0° | 180.0° |
| C15 | C20 | C19 | H23 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 0.3° | 0.0° |
| C15 | C20 | C19 | C18 | 0.1° | 0.3° |
| C20 | C15 | C16 | H18 | 179.7° | 179.7° |
| C20 | C15 | C14 | H20 | 150.8° | 30.0° |
| C20 | C15 | C14 | H21 | 90.1° | 150.0° |
| C15 | C20 | C19 | H25 | 179.9° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.0° |
| C15 | C16 | C17 | H18 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.3° | 0.2° |
| C16 | C15 | C14 | H20 | 29.3° | 150.0° |
| C16 | C15 | C14 | H21 | 89.8° | 29.9° |
| C16 | C15 | C20 | H23 | 179.9° | 180.0° |
| C15 | C16 | C17 | H24 | 179.7° | 179.7° |
| C20 | C19 | C18 | H25 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 0.1° | 0.5° |
| C20 | C19 | C18 | CL | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.5° |
| C16 | C17 | C18 | H24 | 180.0° | 179.9° |
| C16 | C17 | C18 | CL | 179.7° | 180.0° |
| C19 | C18 | C17 | CL | 179.8° | 179.4° |
| C18 | C19 | C20 | H23 | 179.9° | 179.7° |
| C19 | C18 | C17 | H24 | 179.9° | 179.4° |
| C18 | C17 | C16 | H18 | 179.7° | 180.0° |
| C17 | C18 | C19 | H25 | 179.9° | 179.7° |
| CL | C18 | C17 | H24 | 0.3° | 0.0° |
| CL | C18 | C19 | H25 | 0.1° | 0.3° |
| H1 | C3 | C4 | H2 | 169.9° | 160.1° |
| H2 | C4 | C5 | H3 | 42.0° | 21.4° |
| H2 | C4 | O | H13 | 55.8° | 56.4° |
| H3 | C5 | C6 | H4 | 100.6° | 123.8° |
| H3 | C5 | O1 | H22 | 55.1° | 61.0° |
| H4 | C6 | C7 | H5 | 160.1° | 66.0° |
| H4 | C6 | C7 | H6 | 41.6° | 174.0° |
| H5 | C7 | C8 | H7 | 179.5° | NaN° |
| H5 | C7 | C8 | H8 | 60.5° | 60.0° |
| H6 | C7 | C8 | H7 | 62.0° | 60.0° |
| H6 | C7 | C8 | H8 | 179.0° | 180.0° |
| H7 | C8 | C9 | H9 | 57.9° | 180.0° |
| H7 | C8 | C9 | H10 | 62.2° | 60.0° |
| H8 | C8 | C9 | H9 | 61.2° | 59.9° |
| H8 | C8 | C9 | H10 | 178.8° | 180.0° |
| H14 | C12 | C11 | H17 | 180.0° | 180.0° |
| H15 | C12 | C11 | H17 | 0.0° | 0.0° |
| H18 | C16 | C17 | H24 | 0.3° | 0.1° |
| H19 | N2 | C14 | H20 | 89.4° | 119.9° |
| H19 | N2 | C14 | H21 | 29.7° | 120.0° |
| H23 | C20 | C19 | H25 | 0.1° | 0.0° |
