XOI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C3 | sing | 1.39Å | 1.36Å | |
| C25 | N5 | sing | 1.47Å | 1.46Å | |
| C3 | N | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| N | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | N2 | sing | 1.47Å | 1.46Å | |
| N5 | C21 | sing | 1.48Å | 1.47Å | |
| N5 | C24 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | N1 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| C27 | C28 | doub | 1.33Å | 1.28Å | |
| C27 | C26 | sing | 1.47Å | 1.49Å | |
| C20 | O1 | sing | 1.43Å | 1.44Å | |
| N2 | C18 | sing | 1.38Å | 1.41Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.54Å | 1.46Å | |
| O1 | C19 | sing | 1.35Å | 1.34Å | |
| C4 | C7 | sing | 1.48Å | 1.49Å | |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| N3 | C19 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C18 | sing | 1.32Å | 1.33Å | Aromatic |
| C19 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | C10 | doub | 1.42Å | 1.46Å | Aromatic |
| C12 | CL | sing | 1.74Å | 1.72Å | |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| N4 | C9 | doub | 1.34Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | O | sing | 1.36Å | 1.37Å | |
| O | C13 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N1 | C26 | sing | 1.35Å | 1.35Å | |
| N1 | C15 | sing | 1.47Å | 1.46Å | |
| C26 | O2 | doub | 1.22Å | 1.23Å | |
| C1 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.53Å | |
| F3 | C23 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.55Å | 1.49Å | |
| C6 | F | sing | 1.40Å | 1.33Å | |
| C6 | F1 | sing | 1.40Å | 1.34Å | |
| C6 | F2 | sing | 1.40Å | 1.34Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C3 | N | 116.3° | 119.7° |
| N6 | C3 | C2 | 122.2° | 119.6° |
| C3 | N6 | H29 | 109.5° | 120.0° |
| C3 | N6 | H28 | 109.4° | 120.0° |
| C25 | N5 | C21 | 110.5° | 111.0° |
| C25 | N5 | C24 | 112.8° | 111.0° |
| N5 | C25 | H23 | 109.5° | 109.5° |
| N5 | C25 | H24 | 109.5° | 109.5° |
| N5 | C25 | H22 | 109.5° | 109.5° |
| N | C3 | C2 | 121.5° | 120.7° |
| C3 | N | C4 | 118.6° | 121.6° |
| C3 | C2 | C1 | 121.0° | 119.3° |
| C3 | C2 | H6 | 119.5° | 120.3° |
| N | C4 | C7 | 113.7° | 119.7° |
| N | C4 | C5 | 123.2° | 120.6° |
| C16 | C17 | N2 | 109.3° | 109.7° |
| C17 | C16 | N1 | 110.7° | 108.2° |
| C17 | C16 | H13 | 109.2° | 109.7° |
| C17 | C16 | H12 | 109.2° | 109.8° |
| C16 | C17 | H14 | 109.5° | 109.4° |
| C16 | C17 | H15 | 109.5° | 109.4° |
| C17 | N2 | C18 | 121.0° | 109.4° |
| C17 | N2 | C14 | 107.9° | 111.6° |
| N2 | C17 | H14 | 109.5° | 109.4° |
| N2 | C17 | H15 | 109.5° | 109.5° |
| C21 | N5 | C24 | 108.2° | 108.6° |
| N5 | C21 | C20 | 113.4° | 110.4° |
| N5 | C21 | C22 | 104.4° | 104.8° |
| N5 | C21 | H1 | 109.0° | 110.5° |
| N5 | C24 | C23 | 104.6° | 107.2° |
| N5 | C24 | H21 | 110.7° | 109.9° |
| N5 | C24 | H20 | 110.7° | 110.1° |
| C2 | C1 | C5 | 117.3° | 118.6° |
| C2 | C1 | C | 118.7° | 120.7° |
| C1 | C2 | H6 | 119.5° | 120.4° |
| C16 | N1 | C26 | 124.5° | 121.1° |
| C16 | N1 | C15 | 117.5° | 117.8° |
| N1 | C16 | H13 | 109.2° | 109.7° |
| N1 | C16 | H12 | 109.2° | 109.7° |
| C20 | C21 | C22 | 113.2° | 110.4° |
| C21 | C20 | O1 | 109.3° | 109.5° |
| C21 | C20 | H16 | 109.5° | 109.5° |
| C21 | C20 | H17 | 109.5° | 109.4° |
| C20 | C21 | H1 | 108.4° | 110.4° |
| C21 | C22 | C23 | 106.5° | 101.7° |
| C22 | C21 | H1 | 108.3° | 110.3° |
| C21 | C22 | H19 | 110.2° | 111.0° |
| C21 | C22 | H18 | 110.2° | 111.0° |
| C28 | C27 | C26 | 121.8° | 120.0° |
| C28 | C27 | H25 | 119.1° | 120.0° |
| C27 | C28 | H26 | 120.0° | 120.0° |
| C27 | C28 | H27 | 120.0° | 120.0° |
| C27 | C26 | N1 | 117.7° | 120.0° |
| C27 | C26 | O2 | 120.7° | 120.0° |
| C26 | C27 | H25 | 119.1° | 120.0° |
| C20 | O1 | C19 | 118.1° | 117.0° |
| O1 | C20 | H16 | 109.5° | 109.5° |
| O1 | C20 | H17 | 109.5° | 109.5° |
| C18 | N2 | C14 | 127.1° | 112.0° |
| N2 | C18 | N3 | 114.1° | 120.9° |
| N2 | C18 | C10 | 127.0° | 120.8° |
| N2 | C14 | C13 | 114.2° | 110.5° |
| N2 | C14 | C15 | 107.4° | 109.7° |
| N2 | C14 | H | 110.1° | 109.4° |
| C24 | C23 | F3 | 107.8° | 110.8° |
| C24 | C23 | C22 | 106.9° | 103.1° |
| C24 | C23 | H2 | 111.0° | 110.7° |
| C23 | C24 | H21 | 110.7° | 109.9° |
| C23 | C24 | H20 | 110.7° | 109.9° |
| O1 | C19 | N3 | 117.6° | 118.6° |
| O1 | C19 | N4 | 115.3° | 118.7° |
| C7 | C4 | C5 | 123.0° | 119.7° |
| C4 | C7 | C12 | 121.5° | 119.6° |
| C4 | C7 | C8 | 120.4° | 119.7° |
| C4 | C5 | C1 | 118.4° | 119.2° |
| C4 | C5 | C6 | 123.6° | 120.4° |
| C19 | N3 | C18 | 120.5° | 121.2° |
| N3 | C19 | N4 | 127.1° | 122.7° |
| N3 | C18 | C10 | 118.8° | 118.3° |
| C19 | N4 | C9 | 115.2° | 120.4° |
| C12 | C7 | C8 | 118.1° | 120.7° |
| C7 | C12 | CL | 119.8° | 119.8° |
| C7 | C12 | C11 | 121.7° | 120.3° |
| C7 | C8 | C9 | 122.4° | 119.5° |
| C7 | C8 | H7 | 118.8° | 120.2° |
| C18 | C10 | C9 | 115.9° | 117.8° |
| C18 | C10 | C11 | 127.7° | 122.1° |
| CL | C12 | C11 | 118.5° | 119.9° |
| C12 | C11 | C10 | 121.7° | 119.2° |
| C12 | C11 | O | 115.2° | 119.8° |
| C8 | C9 | N4 | 117.9° | 122.4° |
| C8 | C9 | C10 | 119.7° | 119.2° |
| C9 | C8 | H7 | 118.8° | 120.3° |
| N4 | C9 | C10 | 122.5° | 118.4° |
| C9 | C10 | C11 | 116.5° | 120.1° |
| C10 | C11 | O | 123.0° | 120.9° |
| C11 | O | C13 | 117.8° | 116.3° |
| O | C13 | C14 | 109.8° | 110.6° |
| O | C13 | H8 | 109.4° | 109.2° |
| O | C13 | H9 | 109.4° | 109.2° |
| C13 | C14 | C15 | 105.8° | 108.4° |
| C14 | C13 | H8 | 109.4° | 109.2° |
| C14 | C13 | H9 | 109.4° | 109.3° |
| C13 | C14 | H | 109.8° | 109.4° |
| C14 | C15 | N1 | 110.7° | 109.0° |
| C15 | C14 | H | 109.3° | 109.4° |
| C14 | C15 | H11 | 109.1° | 109.5° |
| C14 | C15 | H10 | 109.2° | 109.6° |
| C26 | N1 | C15 | 117.5° | 121.1° |
| N1 | C26 | O2 | 121.7° | 120.1° |
| N1 | C15 | H11 | 109.2° | 109.5° |
| N1 | C15 | H10 | 109.1° | 109.6° |
| C5 | C1 | C | 124.1° | 120.7° |
| C1 | C5 | C6 | 118.0° | 120.3° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.4° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| F3 | C23 | C22 | 108.6° | 110.7° |
| F3 | C23 | H2 | 111.8° | 110.6° |
| C5 | C6 | F | 114.3° | 109.4° |
| C5 | C6 | F1 | 112.2° | 109.4° |
| C5 | C6 | F2 | 112.4° | 109.5° |
| C23 | C22 | H19 | 110.2° | 111.0° |
| C23 | C22 | H18 | 110.2° | 111.0° |
| C22 | C23 | H2 | 110.6° | 110.7° |
| F | C6 | F1 | 105.9° | 109.5° |
| F | C6 | F2 | 104.7° | 109.5° |
| F1 | C6 | F2 | 106.8° | 109.5° |
| H4 | C | H5 | 109.5° | 109.4° |
| H4 | C | H3 | 109.5° | 109.4° |
| H5 | C | H3 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.3° |
| H11 | C15 | H10 | 109.5° | 109.7° |
| H13 | C16 | H12 | 109.5° | 109.7° |
| H14 | C17 | H15 | 109.5° | 109.4° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H19 | C22 | H18 | 109.5° | 110.9° |
| H21 | C24 | H20 | 109.5° | 109.9° |
| H23 | C25 | H24 | 109.4° | 109.4° |
| H23 | C25 | H22 | 109.4° | 109.4° |
| H24 | C25 | H22 | 109.5° | 109.4° |
| H26 | C28 | H27 | 120.0° | 120.0° |
| H29 | N6 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C3 | N | C2 | 179.0° | 179.1° |
| N6 | C3 | N | C4 | 179.4° | 180.0° |
| N6 | C3 | C2 | C1 | 179.3° | 179.7° |
| N6 | C3 | C2 | H6 | 0.7° | 0.8° |
| C3 | N6 | H29 | H28 | 120.0° | 180.0° |
| C25 | N5 | C21 | C24 | 123.9° | 122.3° |
| C25 | N5 | C21 | C20 | 133.9° | 94.8° |
| C25 | N5 | C21 | C22 | 102.5° | 146.4° |
| C25 | N5 | C24 | C23 | 91.4° | 123.3° |
| C25 | N5 | C21 | H1 | 13.1° | 27.5° |
| C25 | N5 | C24 | H21 | 27.8° | 117.3° |
| C25 | N5 | C24 | H20 | 149.4° | 3.8° |
| N5 | C25 | H23 | H24 | 120.0° | 120.1° |
| N5 | C25 | H23 | H22 | 120.0° | 120.0° |
| N5 | C25 | H24 | H22 | 120.0° | 120.0° |
| N | C3 | C2 | C1 | 0.3° | 0.5° |
| C3 | N | C4 | C7 | 175.5° | 179.4° |
| C3 | N | C4 | C5 | 0.8° | 0.6° |
| N | C3 | C2 | H6 | 179.6° | 180.0° |
| N | C3 | N6 | H29 | 0.0° | 0.0° |
| N | C3 | N6 | H28 | 120.0° | 180.0° |
| C2 | C3 | N | C4 | 0.3° | 0.9° |
| C3 | C2 | C1 | H6 | 180.0° | 179.5° |
| C3 | C2 | C1 | C5 | 0.8° | 0.1° |
| C3 | C2 | C1 | C | 179.6° | 179.7° |
| C2 | C3 | N6 | H29 | 179.0° | 179.1° |
| C2 | C3 | N6 | H28 | 61.0° | 0.9° |
| N | C4 | C7 | C5 | 176.4° | 180.0° |
| N | C4 | C7 | C12 | 86.3° | 61.5° |
| N | C4 | C7 | C8 | 92.7° | 118.4° |
| N | C4 | C5 | C1 | 2.0° | 0.0° |
| N | C4 | C5 | C6 | 175.9° | 180.0° |
| C16 | C17 | N2 | H14 | 120.0° | 120.0° |
| C16 | C17 | N2 | H15 | 120.0° | 120.0° |
| C17 | C16 | N1 | H13 | 120.2° | 119.7° |
| C17 | C16 | N1 | H12 | 120.2° | 119.8° |
| C16 | C17 | N2 | C18 | 133.5° | 173.2° |
| C16 | C17 | N2 | C14 | 67.5° | 62.3° |
| C17 | C16 | N1 | C26 | 145.2° | 127.9° |
| C17 | C16 | N1 | C15 | 42.1° | 52.3° |
| C17 | C16 | H13 | H12 | 119.4° | 120.7° |
| C16 | C17 | H14 | H15 | 120.1° | 119.8° |
| N2 | C17 | C16 | N1 | 51.8° | 54.5° |
| C17 | N2 | C18 | C14 | 154.7° | 124.2° |
| C17 | N2 | C18 | N3 | 39.5° | 21.5° |
| C17 | N2 | C18 | C10 | 136.5° | 157.8° |
| C17 | N2 | C14 | C13 | 173.7° | 179.4° |
| C17 | N2 | C14 | C15 | 69.3° | 61.2° |
| C17 | N2 | C14 | H | 49.6° | 58.8° |
| N2 | C17 | C16 | H13 | 172.0° | 65.2° |
| N2 | C17 | C16 | H12 | 68.4° | 174.2° |
| N2 | C17 | H14 | H15 | 120.1° | 120.0° |
| N5 | C21 | C20 | C22 | 118.7° | 115.4° |
| N5 | C21 | C20 | H1 | 121.2° | 122.4° |
| N5 | C21 | C22 | H1 | 116.1° | 118.9° |
| N5 | C21 | C20 | O1 | 36.7° | 69.7° |
| C21 | N5 | C24 | C23 | 31.1° | 1.0° |
| N5 | C21 | C22 | C23 | 3.8° | 37.1° |
| N5 | C21 | C20 | H16 | 83.2° | 50.4° |
| N5 | C21 | C20 | H17 | 156.7° | 170.3° |
| N5 | C21 | C22 | H19 | 123.4° | 81.0° |
| N5 | C21 | C22 | H18 | 115.7° | 155.2° |
| C21 | N5 | C24 | H21 | 150.4° | 120.4° |
| C21 | N5 | C24 | H20 | 88.1° | 118.5° |
| C21 | N5 | C25 | H23 | 180.0° | 60.0° |
| C21 | N5 | C25 | H24 | 60.0° | 180.0° |
| C21 | N5 | C25 | H22 | 60.0° | 60.0° |
| C24 | N5 | C21 | C20 | 102.2° | 142.9° |
| C24 | N5 | C21 | C22 | 21.5° | 24.1° |
| N5 | C24 | C23 | H21 | 119.2° | 119.4° |
| N5 | C24 | C23 | H20 | 119.2° | 119.6° |
| N5 | C24 | C23 | F3 | 88.7° | 96.2° |
| N5 | C24 | C23 | C22 | 28.0° | 22.3° |
| C24 | N5 | C21 | H1 | 137.0° | 94.7° |
| N5 | C24 | C23 | H2 | 148.7° | 140.7° |
| N5 | C24 | H21 | H20 | 122.2° | 121.2° |
| C24 | N5 | C25 | H23 | 58.7° | 179.2° |
| C24 | N5 | C25 | H24 | 61.2° | 59.2° |
| C24 | N5 | C25 | H22 | 178.7° | 60.8° |
| C2 | C1 | C5 | C4 | 1.9° | 0.3° |
| C2 | C1 | C5 | C | 179.5° | 179.7° |
| C2 | C1 | C5 | C6 | 176.1° | 179.7° |
| C2 | C1 | C | H4 | 89.8° | 94.7° |
| C2 | C1 | C | H5 | 150.2° | 25.3° |
| C2 | C1 | C | H3 | 30.2° | 145.4° |
| C16 | N1 | C26 | C27 | 6.7° | 5.4° |
| C16 | N1 | C15 | C14 | 44.8° | 51.7° |
| C16 | N1 | C26 | C15 | 172.7° | 179.8° |
| C16 | N1 | C26 | O2 | 173.4° | 174.5° |
| C16 | N1 | C15 | H11 | 75.4° | 171.5° |
| C16 | N1 | C15 | H10 | 165.0° | 68.2° |
| N1 | C16 | H13 | H12 | 119.5° | 120.5° |
| N1 | C16 | C17 | H14 | 171.8° | 65.6° |
| N1 | C16 | C17 | H15 | 68.2° | 174.6° |
| C20 | C21 | C22 | H1 | 120.2° | 122.3° |
| C21 | C20 | O1 | H16 | 119.9° | 120.0° |
| C21 | C20 | O1 | H17 | 120.0° | 120.0° |
| C21 | C20 | O1 | C19 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 119.9° | 155.9° |
| C21 | C20 | H16 | H17 | 120.1° | 119.9° |
| C20 | C21 | C22 | H19 | 0.4° | 37.8° |
| C20 | C21 | C22 | H18 | 120.6° | 86.0° |
| C22 | C21 | C20 | O1 | 82.0° | 175.0° |
| C21 | C22 | C23 | C24 | 15.0° | 35.7° |
| C21 | C22 | C23 | F3 | 101.1° | 82.9° |
| C21 | C22 | C23 | H19 | 119.5° | 118.1° |
| C21 | C22 | C23 | H18 | 119.5° | 118.1° |
| C22 | C21 | C20 | H16 | 158.1° | 64.9° |
| C22 | C21 | C20 | H17 | 38.0° | 55.0° |
| C21 | C22 | H19 | H18 | 121.4° | 123.9° |
| C21 | C22 | C23 | H2 | 135.9° | 154.0° |
| C28 | C27 | C26 | H25 | 180.0° | 180.0° |
| C28 | C27 | C26 | N1 | 169.9° | 174.7° |
| C28 | C27 | C26 | O2 | 10.1° | 5.4° |
| C27 | C28 | H26 | H27 | 180.0° | 180.0° |
| C27 | C26 | N1 | O2 | 179.9° | 180.0° |
| C27 | C26 | N1 | C15 | 179.4° | 174.8° |
| C26 | C27 | C28 | H26 | 180.0° | 0.0° |
| C26 | C27 | C28 | H27 | 0.0° | 180.0° |
| C20 | O1 | C19 | N3 | 1.4° | 180.0° |
| C20 | O1 | C19 | N4 | 179.2° | 0.0° |
| O1 | C20 | H16 | H17 | 120.1° | 120.0° |
| O1 | C20 | C21 | H1 | 157.9° | 52.7° |
| N2 | C18 | N3 | C19 | 175.7° | 174.4° |
| N2 | C18 | N3 | C10 | 176.4° | 179.4° |
| N2 | C18 | C10 | C9 | 175.2° | 167.5° |
| N2 | C18 | C10 | C11 | 3.1° | 11.1° |
| C18 | N2 | C14 | C13 | 16.3° | 56.4° |
| C18 | N2 | C14 | C15 | 133.3° | 175.8° |
| C18 | N2 | C14 | H | 107.8° | 64.2° |
| C18 | N2 | C17 | H14 | 13.5° | 66.7° |
| C18 | N2 | C17 | H15 | 106.6° | 53.2° |
| C14 | N2 | C18 | N3 | 165.7° | 102.7° |
| C14 | N2 | C18 | C10 | 18.3° | 77.9° |
| N2 | C14 | C13 | O | 73.9° | 30.6° |
| N2 | C14 | C13 | C15 | 117.9° | 120.2° |
| N2 | C14 | C13 | H | 124.2° | 120.5° |
| N2 | C14 | C15 | H | 119.4° | 120.0° |
| N2 | C14 | C15 | N1 | 56.5° | 52.9° |
| N2 | C14 | C13 | H8 | 46.1° | 150.8° |
| N2 | C14 | C13 | H9 | 166.0° | 89.7° |
| N2 | C14 | C15 | H11 | 63.7° | 172.7° |
| N2 | C14 | C15 | H10 | 176.6° | 67.0° |
| C14 | N2 | C17 | H14 | 172.6° | 57.8° |
| C14 | N2 | C17 | H15 | 52.5° | 177.7° |
| C24 | C23 | F3 | C22 | 115.5° | 113.7° |
| C24 | C23 | F3 | H2 | 122.2° | 123.1° |
| C24 | C23 | C22 | H2 | 120.9° | 118.4° |
| C24 | C23 | C22 | H19 | 104.6° | 82.4° |
| C24 | C23 | C22 | H18 | 134.5° | 153.8° |
| C23 | C24 | H21 | H20 | 122.2° | 121.0° |
| O1 | C19 | N3 | N4 | 179.4° | 180.0° |
| O1 | C19 | N3 | C18 | 178.1° | 177.9° |
| O1 | C19 | N4 | C9 | 177.8° | 178.3° |
| C19 | O1 | C20 | H16 | 60.3° | 60.0° |
| C19 | O1 | C20 | H17 | 59.8° | 60.0° |
| C4 | C7 | C12 | C8 | 179.1° | 180.0° |
| C4 | C7 | C12 | CL | 2.7° | 2.0° |
| C4 | C7 | C12 | C11 | 178.2° | 177.9° |
| C4 | C7 | C8 | C9 | 177.8° | 176.6° |
| C7 | C4 | C5 | C1 | 174.0° | 180.0° |
| C7 | C4 | C5 | C6 | 8.1° | 0.0° |
| C4 | C7 | C8 | H7 | 2.2° | 3.4° |
| C5 | C4 | C7 | C12 | 97.3° | 118.4° |
| C5 | C4 | C7 | C8 | 83.6° | 61.6° |
| C4 | C5 | C1 | C6 | 178.0° | 180.0° |
| C4 | C5 | C1 | C | 178.6° | 180.0° |
| C4 | C5 | C6 | F | 16.5° | 92.4° |
| C4 | C5 | C6 | F1 | 104.0° | 27.6° |
| C4 | C5 | C6 | F2 | 135.7° | 147.6° |
| C19 | N3 | C18 | C10 | 0.7° | 5.0° |
| N3 | C19 | N4 | C9 | 1.6° | 1.7° |
| C18 | N3 | C19 | N4 | 1.3° | 2.1° |
| N3 | C18 | C10 | C9 | 0.6° | 11.9° |
| N3 | C18 | C10 | C11 | 178.9° | 169.5° |
| C19 | N4 | C9 | C8 | 177.2° | 175.4° |
| C19 | N4 | C9 | C10 | 1.5° | 5.7° |
| C7 | C12 | CL | C11 | 179.1° | 180.0° |
| C12 | C7 | C8 | C9 | 1.3° | 3.4° |
| C7 | C12 | C11 | C10 | 0.5° | 5.3° |
| C7 | C12 | C11 | O | 177.4° | 171.1° |
| C12 | C7 | C8 | H7 | 178.7° | 176.6° |
| C8 | C7 | C12 | CL | 178.2° | 178.0° |
| C8 | C7 | C12 | C11 | 0.9° | 2.1° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | N4 | 178.3° | 176.5° |
| C7 | C8 | C9 | C10 | 0.5° | 2.5° |
| C18 | C10 | C11 | C12 | 177.0° | 167.3° |
| C18 | C10 | C9 | C8 | 177.6° | 168.7° |
| C18 | C10 | C9 | N4 | 1.1° | 12.3° |
| C18 | C10 | C9 | C11 | 178.5° | 178.6° |
| C18 | C10 | C11 | O | 5.3° | 16.4° |
| CL | C12 | C11 | C10 | 179.6° | 174.7° |
| CL | C12 | C11 | O | 1.7° | 9.0° |
| C12 | C11 | C10 | C9 | 1.4° | 11.2° |
| C12 | C11 | C10 | O | 177.7° | 176.3° |
| C12 | C11 | O | C13 | 140.5° | 135.0° |
| C8 | C9 | N4 | C10 | 178.7° | 179.0° |
| C8 | C9 | C10 | C11 | 0.9° | 9.9° |
| N4 | C9 | C10 | C11 | 179.6° | 169.1° |
| N4 | C9 | C8 | H7 | 1.7° | 3.5° |
| C9 | C10 | C11 | O | 176.4° | 165.1° |
| C10 | C9 | C8 | H7 | 179.5° | 177.5° |
| C10 | C11 | O | C13 | 37.4° | 41.3° |
| C11 | O | C13 | C14 | 88.8° | 88.7° |
| C11 | O | C13 | H8 | 31.3° | 151.1° |
| C11 | O | C13 | H9 | 151.1° | 31.6° |
| O | C13 | C14 | H8 | 120.0° | 120.2° |
| O | C13 | C14 | H9 | 120.1° | 120.3° |
| O | C13 | C14 | C15 | 168.1° | 89.6° |
| O | C13 | H8 | H9 | 119.9° | 119.4° |
| O | C13 | C14 | H | 50.3° | 151.1° |
| C13 | C14 | C15 | H | 118.2° | 119.3° |
| C13 | C14 | C15 | N1 | 178.9° | 173.7° |
| C14 | C13 | H8 | H9 | 119.9° | 119.5° |
| C13 | C14 | C15 | H11 | 58.7° | 66.6° |
| C13 | C14 | C15 | H10 | 61.0° | 53.8° |
| C14 | C15 | N1 | C26 | 142.0° | 128.5° |
| C14 | C15 | N1 | H11 | 120.2° | 119.8° |
| C14 | C15 | N1 | H10 | 120.2° | 119.9° |
| C15 | C14 | C13 | H8 | 71.8° | 30.6° |
| C15 | C14 | C13 | H9 | 48.1° | 150.1° |
| C14 | C15 | H11 | H10 | 119.5° | 120.3° |
| C26 | N1 | C15 | H11 | 97.8° | 8.8° |
| C26 | N1 | C15 | H10 | 21.8° | 111.5° |
| C26 | N1 | C16 | H13 | 25.0° | 112.4° |
| C26 | N1 | C16 | H12 | 94.6° | 8.1° |
| N1 | C26 | C27 | H25 | 10.1° | 5.4° |
| C15 | N1 | C26 | O2 | 0.7° | 5.3° |
| N1 | C15 | C14 | H | 63.0° | 67.1° |
| N1 | C15 | H11 | H10 | 119.4° | 120.2° |
| C15 | N1 | C16 | H13 | 162.3° | 67.4° |
| C15 | N1 | C16 | H12 | 78.1° | 172.1° |
| O2 | C26 | C27 | H25 | 169.9° | 174.6° |
| C1 | C5 | C6 | F | 161.3° | 87.7° |
| C1 | C5 | C6 | F1 | 78.1° | 152.3° |
| C1 | C5 | C6 | F2 | 42.2° | 32.4° |
| C5 | C1 | C2 | H6 | 179.2° | 179.4° |
| C5 | C1 | C | H4 | 89.7° | 85.7° |
| C5 | C1 | C | H5 | 30.2° | 154.3° |
| C5 | C1 | C | H3 | 150.2° | 34.3° |
| C | C1 | C5 | C6 | 3.5° | 0.0° |
| C | C1 | C2 | H6 | 0.4° | 0.2° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C | H5 | H3 | 120.0° | 120.0° |
| F3 | C23 | C22 | H2 | 123.0° | 123.0° |
| F3 | C23 | C22 | H19 | 139.3° | 159.0° |
| F3 | C23 | C22 | H18 | 18.4° | 35.2° |
| F3 | C23 | C24 | H21 | 30.6° | 144.4° |
| F3 | C23 | C24 | H20 | 152.1° | 23.4° |
| C5 | C6 | F | F1 | 124.0° | 119.9° |
| C5 | C6 | F | F2 | 123.4° | 120.1° |
| C5 | C6 | F1 | F2 | 123.5° | 120.0° |
| C23 | C22 | C21 | H1 | 119.9° | 81.9° |
| C23 | C22 | H19 | H18 | 121.4° | 123.9° |
| C22 | C23 | C24 | H21 | 147.2° | 97.1° |
| C22 | C23 | C24 | H20 | 91.2° | 141.9° |
| F | C6 | F1 | F2 | 111.2° | 120.0° |
| H4 | C | H5 | H3 | 120.0° | 120.0° |
| H8 | C13 | C14 | H | 170.3° | 88.6° |
| H9 | C13 | C14 | H | 69.8° | 30.9° |
| H | C14 | C15 | H11 | 176.9° | 52.7° |
| H | C14 | C15 | H10 | 57.2° | 173.0° |
| H13 | C16 | C17 | H14 | 68.1° | 174.7° |
| H13 | C16 | C17 | H15 | 52.0° | 54.9° |
| H12 | C16 | C17 | H14 | 51.5° | 54.1° |
| H12 | C16 | C17 | H15 | 171.6° | 65.8° |
| H16 | C20 | C21 | H1 | 37.9° | 172.8° |
| H17 | C20 | C21 | H1 | 82.1° | 67.3° |
| H1 | C21 | C22 | H19 | 120.6° | 160.1° |
| H1 | C21 | C22 | H18 | 0.4° | 36.3° |
| H19 | C22 | C23 | H2 | 16.4° | 36.0° |
| H18 | C22 | C23 | H2 | 104.6° | 87.8° |
| H2 | C23 | C24 | H21 | 92.1° | 21.3° |
| H2 | C23 | C24 | H20 | 29.4° | 99.7° |
| H23 | C25 | H24 | H22 | 120.0° | 119.9° |
| H25 | C27 | C28 | H26 | 0.0° | 180.0° |
| H25 | C27 | C28 | H27 | 180.0° | 0.0° |
