O0H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C20 | sing | 1.47Å | 1.47Å | |
| N6 | C21 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | N5 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | N3 | sing | 1.46Å | 1.45Å | |
| C14 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C7 | doub | 1.22Å | 1.23Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C18 | sing | 1.35Å | 1.35Å | |
| C18 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | N4 | sing | 1.40Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C3 | sing | 1.48Å | 1.51Å | |
| C7 | N2 | sing | 1.35Å | 1.36Å | |
| C1 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N4 | C11 | doub | 1.32Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.42Å | |
| C8 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| N1 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | O2 | sing | 1.36Å | 1.37Å | |
| C4 | C6 | sing | 1.51Å | 1.50Å | |
| O2 | C15 | sing | 1.43Å | 1.43Å | |
| F3 | C6 | sing | 1.40Å | 1.33Å | |
| C6 | F1 | sing | 1.40Å | 1.33Å | |
| C6 | F2 | sing | 1.40Å | 1.32Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N6 | C20 | 112.2° | 111.0° |
| C23 | N6 | C21 | 111.1° | 111.0° |
| N6 | C23 | H24 | 109.5° | 109.5° |
| N6 | C23 | H25 | 109.5° | 109.5° |
| N6 | C23 | H26 | 109.5° | 109.5° |
| C20 | N6 | C21 | 111.2° | 111.3° |
| N6 | C20 | C19 | 112.1° | 109.3° |
| N6 | C20 | H6 | 108.8° | 109.5° |
| N6 | C20 | H7 | 108.8° | 109.6° |
| N6 | C21 | C22 | 111.4° | 109.4° |
| N6 | C21 | H8 | 109.0° | 109.5° |
| N6 | C21 | H9 | 109.0° | 109.5° |
| C20 | C19 | N5 | 111.2° | 108.5° |
| C19 | C20 | H6 | 108.8° | 109.4° |
| C19 | C20 | H7 | 108.8° | 109.5° |
| C20 | C19 | H21 | 109.0° | 109.7° |
| C20 | C19 | H22 | 109.0° | 109.7° |
| C21 | C22 | N5 | 111.1° | 108.5° |
| C22 | C21 | H8 | 109.0° | 109.5° |
| C22 | C21 | H9 | 109.0° | 109.5° |
| C21 | C22 | H10 | 109.1° | 109.6° |
| C21 | C22 | H11 | 109.1° | 109.7° |
| C22 | N5 | C19 | 112.2° | 118.2° |
| C22 | N5 | C18 | 119.9° | 120.9° |
| N5 | C22 | H10 | 109.0° | 109.6° |
| N5 | C22 | H11 | 109.1° | 109.6° |
| C18 | C17 | N3 | 115.2° | 109.5° |
| C17 | C18 | N5 | 116.7° | 120.0° |
| C17 | C18 | O3 | 120.7° | 120.0° |
| C18 | C17 | H4 | 108.0° | 109.5° |
| C18 | C17 | H5 | 108.0° | 109.4° |
| C17 | N3 | C14 | 125.1° | 125.0° |
| C17 | N3 | N4 | 120.5° | 125.1° |
| N3 | C17 | H4 | 108.1° | 109.5° |
| N3 | C17 | H5 | 108.0° | 109.5° |
| N3 | C14 | C10 | 106.7° | 107.9° |
| C14 | N3 | N4 | 114.3° | 109.9° |
| N3 | C14 | H17 | 126.7° | 126.1° |
| C14 | C10 | C9 | 135.3° | 134.7° |
| C14 | C10 | C11 | 104.3° | 106.4° |
| C10 | C14 | H17 | 126.7° | 126.0° |
| O1 | C7 | C3 | 120.3° | 120.0° |
| O1 | C7 | N2 | 124.9° | 120.0° |
| C19 | N5 | C18 | 124.3° | 120.9° |
| N5 | C19 | H21 | 109.0° | 109.6° |
| N5 | C19 | H22 | 109.0° | 109.6° |
| N5 | C18 | O3 | 122.6° | 120.0° |
| N3 | N4 | C11 | 103.1° | 109.0° |
| C1 | C2 | C3 | 118.5° | 119.1° |
| C2 | C1 | C5 | 119.3° | 118.5° |
| C2 | C1 | H12 | 120.4° | 120.7° |
| C1 | C2 | H13 | 120.7° | 120.5° |
| C2 | C3 | C7 | 119.1° | 119.8° |
| C2 | C3 | N1 | 122.5° | 120.5° |
| C3 | C2 | H13 | 120.7° | 120.4° |
| C9 | C10 | C11 | 120.4° | 118.9° |
| C10 | C9 | C8 | 119.1° | 119.6° |
| C10 | C9 | H15 | 120.5° | 120.2° |
| C10 | C11 | N4 | 111.7° | 106.8° |
| C10 | C11 | C12 | 119.7° | 118.7° |
| C9 | C8 | N2 | 120.8° | 119.3° |
| C9 | C8 | C13 | 120.6° | 121.5° |
| C8 | C9 | H15 | 120.5° | 120.2° |
| C3 | C7 | N2 | 114.8° | 120.0° |
| C7 | C3 | N1 | 118.4° | 119.7° |
| C7 | N2 | C8 | 127.9° | 120.0° |
| C7 | N2 | H14 | 116.0° | 120.0° |
| C1 | C5 | C4 | 119.4° | 119.3° |
| C1 | C5 | H1 | 120.3° | 120.3° |
| C5 | C1 | H12 | 120.3° | 120.7° |
| C3 | N1 | C4 | 118.7° | 121.7° |
| N4 | C11 | C12 | 128.6° | 134.5° |
| C11 | C12 | C13 | 118.4° | 119.7° |
| C11 | C12 | H16 | 120.8° | 120.2° |
| N2 | C8 | C13 | 118.6° | 119.2° |
| C8 | N2 | H14 | 116.1° | 120.1° |
| C8 | C13 | C12 | 121.8° | 121.7° |
| C8 | C13 | O2 | 116.6° | 119.2° |
| C5 | C4 | N1 | 121.6° | 120.9° |
| C5 | C4 | C6 | 122.8° | 119.5° |
| C4 | C5 | H1 | 120.3° | 120.4° |
| N1 | C4 | C6 | 115.6° | 119.5° |
| C12 | C13 | O2 | 121.6° | 119.2° |
| C13 | C12 | H16 | 120.8° | 120.2° |
| C13 | O2 | C15 | 118.2° | 117.0° |
| C4 | C6 | F3 | 112.3° | 109.5° |
| C4 | C6 | F1 | 112.3° | 109.5° |
| C4 | C6 | F2 | 112.8° | 109.5° |
| O2 | C15 | C16 | 107.6° | 109.5° |
| O2 | C15 | H2 | 109.9° | 109.5° |
| O2 | C15 | H3 | 109.9° | 109.4° |
| F3 | C6 | F1 | 106.4° | 109.5° |
| F3 | C6 | F2 | 106.2° | 109.5° |
| F1 | C6 | F2 | 106.5° | 109.4° |
| C16 | C15 | H2 | 109.9° | 109.5° |
| C16 | C15 | H3 | 109.9° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.4° |
| C15 | C16 | H19 | 109.4° | 109.5° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H6 | C20 | H7 | 109.4° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.8° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.4° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.8° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N6 | C20 | C21 | 125.2° | 124.1° |
| C23 | N6 | C20 | C19 | 115.5° | 172.7° |
| C23 | N6 | C21 | C22 | 173.8° | 172.8° |
| C23 | N6 | C20 | H6 | 4.9° | 52.9° |
| C23 | N6 | C20 | H7 | 124.1° | 67.2° |
| C23 | N6 | C21 | H8 | 65.9° | 67.3° |
| C23 | N6 | C21 | H9 | 53.5° | 52.8° |
| N6 | C23 | H24 | H25 | 120.0° | 120.1° |
| N6 | C23 | H24 | H26 | 120.0° | 120.0° |
| N6 | C23 | H25 | H26 | 120.0° | 120.0° |
| N6 | C20 | C19 | H6 | 120.4° | 119.9° |
| N6 | C20 | C19 | H7 | 120.4° | 120.1° |
| C20 | N6 | C21 | C22 | 48.0° | 63.1° |
| N6 | C20 | C19 | N5 | 59.3° | 53.9° |
| N6 | C20 | H6 | H7 | 118.8° | 120.1° |
| C20 | N6 | C21 | H8 | 168.2° | 56.8° |
| C20 | N6 | C21 | H9 | 72.3° | 176.9° |
| N6 | C20 | C19 | H21 | 60.9° | 173.6° |
| N6 | C20 | C19 | H22 | 179.6° | 65.8° |
| C20 | N6 | C23 | H24 | 180.0° | 59.9° |
| C20 | N6 | C23 | H25 | 60.0° | 180.0° |
| C20 | N6 | C23 | H26 | 60.0° | 60.0° |
| C21 | N6 | C20 | C19 | 9.8° | 63.2° |
| N6 | C21 | C22 | H8 | 120.3° | 120.0° |
| N6 | C21 | C22 | H9 | 120.3° | 120.0° |
| N6 | C21 | C22 | N5 | 60.9° | 53.8° |
| C21 | N6 | C20 | H6 | 130.2° | 176.9° |
| C21 | N6 | C20 | H7 | 110.7° | 56.9° |
| N6 | C21 | H8 | H9 | 119.1° | 120.1° |
| N6 | C21 | C22 | H10 | 59.3° | 65.9° |
| N6 | C21 | C22 | H11 | 178.9° | 173.6° |
| C21 | N6 | C23 | H24 | 54.7° | 64.3° |
| C21 | N6 | C23 | H25 | 174.8° | 55.8° |
| C21 | N6 | C23 | H26 | 65.3° | 175.7° |
| C20 | C19 | N5 | C22 | 46.4° | 51.2° |
| C20 | C19 | N5 | H21 | 120.2° | 119.7° |
| C20 | C19 | N5 | H22 | 120.3° | 119.7° |
| C20 | C19 | N5 | C18 | 112.0° | 128.8° |
| C19 | C20 | H6 | H7 | 118.8° | 120.0° |
| C20 | C19 | H21 | H22 | 119.2° | 120.5° |
| C21 | C22 | N5 | H10 | 120.3° | 119.7° |
| C21 | C22 | N5 | H11 | 120.3° | 119.8° |
| C21 | C22 | N5 | C19 | 10.8° | 51.2° |
| C21 | C22 | N5 | C18 | 170.2° | 128.9° |
| C22 | C21 | H8 | H9 | 119.2° | 120.0° |
| C21 | C22 | H10 | H11 | 119.3° | 120.5° |
| C22 | N5 | C18 | C17 | 129.1° | 180.0° |
| C22 | N5 | C19 | C18 | 158.3° | 180.0° |
| C22 | N5 | C18 | O3 | 50.1° | 0.0° |
| N5 | C22 | C21 | H8 | 178.8° | 66.2° |
| N5 | C22 | C21 | H9 | 59.4° | 173.8° |
| N5 | C22 | H10 | H11 | 119.2° | 120.5° |
| C22 | N5 | C19 | H21 | 73.9° | 170.9° |
| C22 | N5 | C19 | H22 | 166.6° | 68.5° |
| C18 | C17 | N3 | H4 | 120.8° | 120.0° |
| C18 | C17 | N3 | H5 | 120.8° | 120.0° |
| C18 | C17 | N3 | C14 | 137.3° | 125.2° |
| C17 | C18 | N5 | C19 | 27.7° | 0.0° |
| C17 | C18 | N5 | O3 | 179.2° | 180.0° |
| C18 | C17 | N3 | N4 | 47.6° | 55.1° |
| C18 | C17 | H4 | H5 | 117.4° | 119.9° |
| C17 | N3 | C14 | N4 | 175.4° | 179.7° |
| C17 | N3 | C14 | C10 | 177.0° | 179.7° |
| N3 | C17 | C18 | N5 | 162.4° | 180.0° |
| N3 | C17 | C18 | O3 | 18.4° | 0.0° |
| C17 | N3 | N4 | C11 | 177.2° | 180.0° |
| N3 | C17 | H4 | H5 | 117.4° | 120.0° |
| C17 | N3 | C14 | H17 | 3.0° | 0.3° |
| N3 | C14 | C10 | H17 | 180.0° | 180.0° |
| N3 | C14 | C10 | C9 | 179.4° | 179.8° |
| N3 | C14 | C10 | C11 | 0.8° | 0.3° |
| C14 | N3 | N4 | C11 | 1.5° | 0.3° |
| C14 | N3 | C17 | H4 | 101.9° | 114.7° |
| C14 | N3 | C17 | H5 | 16.5° | 5.3° |
| C10 | C14 | N3 | N4 | 1.5° | 0.0° |
| C14 | C10 | C9 | C11 | 179.8° | 179.5° |
| C14 | C10 | C9 | C8 | 179.7° | 179.5° |
| C14 | C10 | C11 | N4 | 0.1° | 0.4° |
| C14 | C10 | C11 | C12 | 179.7° | 179.6° |
| C14 | C10 | C9 | H15 | 0.4° | 0.5° |
| O1 | C7 | C3 | C2 | 20.8° | 0.0° |
| O1 | C7 | C3 | N2 | 179.6° | 180.0° |
| O1 | C7 | C3 | N1 | 159.5° | 180.0° |
| O1 | C7 | N2 | C8 | 19.1° | 4.5° |
| O1 | C7 | N2 | H14 | 161.0° | 175.4° |
| C19 | N5 | C18 | O3 | 153.1° | 180.0° |
| N5 | C19 | C20 | H6 | 179.7° | 173.8° |
| N5 | C19 | C20 | H7 | 61.1° | 66.2° |
| C19 | N5 | C22 | H10 | 109.4° | 68.5° |
| C19 | N5 | C22 | H11 | 131.1° | 170.9° |
| N5 | C19 | H21 | H22 | 119.2° | 120.5° |
| N5 | C18 | C17 | H4 | 41.6° | 59.9° |
| N5 | C18 | C17 | H5 | 76.8° | 60.0° |
| C18 | N5 | C22 | H10 | 50.0° | 111.4° |
| C18 | N5 | C22 | H11 | 69.5° | 9.1° |
| C18 | N5 | C19 | H21 | 127.8° | 9.1° |
| C18 | N5 | C19 | H22 | 8.3° | 111.4° |
| O3 | C18 | C17 | H4 | 139.2° | 120.1° |
| O3 | C18 | C17 | H5 | 102.5° | 120.0° |
| N3 | N4 | C11 | C10 | 0.9° | 0.4° |
| N3 | N4 | C11 | C12 | 179.5° | 179.6° |
| N4 | N3 | C17 | H4 | 73.3° | 65.0° |
| N4 | N3 | C17 | H5 | 168.4° | 175.0° |
| N4 | N3 | C14 | H17 | 178.5° | 180.0° |
| C1 | C2 | C3 | H13 | 180.0° | 180.0° |
| C1 | C2 | C3 | C7 | 179.2° | 180.0° |
| C2 | C1 | C5 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | N1 | 0.5° | 0.0° |
| C2 | C1 | C5 | C4 | 0.2° | 0.0° |
| C2 | C1 | C5 | H1 | 179.8° | 179.9° |
| C2 | C3 | C7 | N1 | 179.8° | 179.9° |
| C2 | C3 | C7 | N2 | 158.8° | 180.0° |
| C3 | C2 | C1 | C5 | 0.4° | 0.0° |
| C2 | C3 | N1 | C4 | 0.5° | 0.0° |
| C3 | C2 | C1 | H12 | 179.6° | 180.0° |
| C10 | C9 | C8 | H15 | 180.0° | 180.0° |
| C9 | C10 | C11 | N4 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C8 | N2 | 179.6° | 180.0° |
| C10 | C9 | C8 | C13 | 0.1° | 0.0° |
| C9 | C10 | C14 | H17 | 0.6° | 0.2° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | N4 | C12 | 179.5° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C9 | H15 | 179.9° | 180.0° |
| C10 | C11 | C12 | H16 | 179.8° | 180.0° |
| C11 | C10 | C14 | H17 | 179.2° | 179.7° |
| C9 | C8 | N2 | C7 | 8.4° | 34.9° |
| C9 | C8 | N2 | C13 | 179.5° | 180.0° |
| C9 | C8 | C13 | C12 | 0.2° | 0.0° |
| C9 | C8 | C13 | O2 | 179.4° | 180.0° |
| C9 | C8 | N2 | H14 | 171.7° | 145.0° |
| C3 | C7 | N2 | C8 | 160.5° | 175.4° |
| C7 | C3 | N1 | C4 | 179.3° | 180.0° |
| C7 | C3 | C2 | H13 | 0.8° | 0.0° |
| C3 | C7 | N2 | H14 | 19.5° | 4.6° |
| N2 | C7 | C3 | N1 | 20.9° | 0.1° |
| C7 | N2 | C8 | H14 | 180.0° | 179.9° |
| C7 | N2 | C8 | C13 | 172.2° | 145.0° |
| C1 | C5 | C4 | H1 | 180.0° | 179.9° |
| C1 | C5 | C4 | N1 | 0.1° | 0.0° |
| C1 | C5 | C4 | C6 | 179.8° | 180.0° |
| C5 | C1 | C2 | H13 | 179.6° | 180.0° |
| C3 | N1 | C4 | C5 | 0.3° | 0.0° |
| C3 | N1 | C4 | C6 | 179.9° | 180.0° |
| N1 | C3 | C2 | H13 | 179.4° | 180.0° |
| N4 | C11 | C12 | C13 | 179.7° | 180.0° |
| N4 | C11 | C12 | H16 | 0.3° | 0.1° |
| C11 | C12 | C13 | C8 | 0.2° | 0.0° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | O2 | 179.4° | 180.0° |
| N2 | C8 | C13 | C12 | 179.7° | 180.0° |
| N2 | C8 | C13 | O2 | 0.1° | 0.0° |
| N2 | C8 | C9 | H15 | 0.4° | 0.0° |
| C8 | C13 | C12 | O2 | 179.6° | 180.0° |
| C8 | C13 | O2 | C15 | 94.0° | 180.0° |
| C13 | C8 | N2 | H14 | 7.8° | 35.0° |
| C13 | C8 | C9 | H15 | 179.8° | 180.0° |
| C8 | C13 | C12 | H16 | 179.8° | 180.0° |
| C5 | C4 | N1 | C6 | 179.6° | 179.9° |
| C5 | C4 | C6 | F3 | 91.7° | 64.9° |
| C5 | C4 | C6 | F1 | 28.1° | 175.0° |
| C5 | C4 | C6 | F2 | 148.4° | 55.1° |
| C4 | C5 | C1 | H12 | 179.8° | 180.0° |
| N1 | C4 | C6 | F3 | 87.9° | 115.0° |
| N1 | C4 | C6 | F1 | 152.3° | 5.1° |
| N1 | C4 | C6 | F2 | 32.0° | 125.0° |
| N1 | C4 | C5 | H1 | 179.9° | 179.9° |
| C12 | C13 | O2 | C15 | 86.4° | 0.0° |
| C13 | O2 | C15 | C16 | 139.5° | 180.0° |
| C13 | O2 | C15 | H2 | 100.8° | 59.9° |
| C13 | O2 | C15 | H3 | 19.8° | 60.0° |
| O2 | C13 | C12 | H16 | 0.6° | 0.0° |
| C4 | C6 | F3 | F1 | 123.2° | 120.1° |
| C4 | C6 | F3 | F2 | 123.6° | 120.0° |
| C4 | C6 | F1 | F2 | 123.8° | 120.0° |
| C6 | C4 | C5 | H1 | 0.2° | 0.0° |
| O2 | C15 | C16 | H2 | 119.7° | 120.0° |
| O2 | C15 | C16 | H3 | 119.7° | 120.0° |
| O2 | C15 | H2 | H3 | 120.9° | 119.9° |
| O2 | C15 | C16 | H18 | 180.0° | 180.0° |
| O2 | C15 | C16 | H19 | 60.0° | 60.0° |
| O2 | C15 | C16 | H20 | 60.0° | 60.0° |
| F3 | C6 | F1 | F2 | 113.0° | 120.0° |
| C16 | C15 | H2 | H3 | 120.8° | 120.0° |
| C15 | C16 | H18 | H19 | 120.0° | 120.0° |
| C15 | C16 | H18 | H20 | 120.0° | 120.0° |
| C15 | C16 | H19 | H20 | 120.0° | 120.0° |
| H1 | C5 | C1 | H12 | 0.2° | 0.1° |
| H2 | C15 | C16 | H18 | 60.3° | 60.0° |
| H2 | C15 | C16 | H19 | 179.7° | 180.0° |
| H2 | C15 | C16 | H20 | 59.8° | 60.0° |
| H3 | C15 | C16 | H18 | 60.3° | 60.0° |
| H3 | C15 | C16 | H19 | 59.7° | 60.0° |
| H3 | C15 | C16 | H20 | 179.7° | 180.0° |
| H6 | C20 | C19 | H21 | 59.5° | 66.5° |
| H6 | C20 | C19 | H22 | 60.0° | 54.1° |
| H7 | C20 | C19 | H21 | 178.6° | 53.5° |
| H7 | C20 | C19 | H22 | 59.1° | 174.1° |
| H8 | C21 | C22 | H10 | 60.9° | 174.1° |
| H8 | C21 | C22 | H11 | 58.6° | 53.5° |
| H9 | C21 | C22 | H10 | 179.6° | 54.2° |
| H9 | C21 | C22 | H11 | 60.9° | 66.4° |
| H12 | C1 | C2 | H13 | 0.4° | 0.0° |
| H18 | C16 | H19 | H20 | 120.0° | 120.0° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
