XY3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C84 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C1 | sing | 1.33Å | 1.36Å | Aromatic |
| C21 | N3 | sing | 1.47Å | 1.50Å | |
| N3 | C24 | sing | 1.47Å | 1.49Å | |
| N3 | C20 | sing | 1.47Å | 1.43Å | |
| C5 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | trip | 1.17Å | 1.18Å | |
| C6 | C5 | doub | 1.40Å | 1.44Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.44Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.40Å | 1.45Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | C13 | sing | 1.40Å | 1.44Å | |
| C14 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | C19 | sing | 1.51Å | 1.54Å | |
| C16 | C20 | sing | 1.51Å | 1.55Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | N4 | sing | 1.47Å | 1.50Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | N82 | sing | 1.46Å | 1.38Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| O2 | C81 | doub | 1.22Å | 1.37Å | |
| C81 | C84 | sing | 1.47Å | 1.45Å | |
| C81 | N5 | sing | 1.35Å | 1.11Å | |
| N82 | C84 | sing | 1.37Å | 1.46Å | Aromatic |
| N82 | C2 | sing | 1.37Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.43Å | 1.38Å | |
| C9 | C12 | sing | 1.48Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| N2 | C12 | sing | 1.35Å | 1.36Å | |
| C12 | O1 | doub | 1.21Å | 1.26Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| F1 | C19 | sing | 1.40Å | 1.32Å | |
| C19 | F2 | sing | 1.40Å | 1.31Å | |
| C19 | F3 | sing | 1.40Å | 1.33Å | |
| N4 | C23 | sing | 1.47Å | 1.51Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | C27 | sing | 1.53Å | 1.15Å | |
| C25 | N4 | sing | 1.47Å | 1.50Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5A | sing | 0.97Å | 1.00Å | |
| C27 | O3 | sing | 1.43Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C84 | N1 | C1 | 106.1° | 109.7° |
| N1 | C84 | C81 | 129.8° | 125.5° |
| N1 | C84 | N82 | 109.9° | 108.9° |
| N1 | C1 | C2 | 110.3° | 108.0° |
| N1 | C1 | H1 | 124.8° | 126.0° |
| C21 | N3 | C24 | 111.1° | 110.9° |
| C21 | N3 | C20 | 115.4° | 111.0° |
| N3 | C21 | C22 | 109.8° | 109.4° |
| N3 | C21 | H21 | 109.4° | 109.5° |
| N3 | C21 | H21A | 109.4° | 109.5° |
| C24 | N3 | C20 | 112.8° | 111.0° |
| N3 | C24 | C23 | 109.8° | 109.4° |
| N3 | C24 | H24 | 109.4° | 109.4° |
| N3 | C24 | H24A | 109.4° | 109.5° |
| N3 | C20 | C16 | 114.1° | 109.5° |
| N3 | C20 | H20 | 107.9° | 109.5° |
| N3 | C20 | H20A | 108.0° | 109.5° |
| C5 | C4 | C3 | 176.0° | 179.9° |
| C4 | C5 | C6 | 121.8° | 120.2° |
| C4 | C5 | C10 | 117.2° | 120.1° |
| C4 | C3 | C2 | 176.5° | 180.0° |
| C6 | C5 | C10 | 121.0° | 119.8° |
| C5 | C6 | C11 | 121.5° | 119.9° |
| C5 | C6 | C7 | 119.0° | 120.1° |
| C5 | C10 | C9 | 121.0° | 119.7° |
| C5 | C10 | H10 | 119.5° | 120.2° |
| C11 | C6 | C7 | 119.6° | 120.0° |
| C6 | C11 | H11 | 109.5° | 109.5° |
| C6 | C11 | H11A | 109.5° | 109.5° |
| C6 | C11 | H11B | 109.5° | 109.5° |
| C6 | C7 | C8 | 120.5° | 120.3° |
| C6 | C7 | H7 | 119.7° | 119.8° |
| C8 | C7 | H7 | 119.7° | 119.9° |
| C7 | C8 | C9 | 119.9° | 120.2° |
| C7 | C8 | H8 | 120.1° | 119.9° |
| C9 | C8 | H8 | 120.0° | 119.9° |
| C8 | C9 | C10 | 118.5° | 119.9° |
| C8 | C9 | C12 | 123.9° | 120.1° |
| C9 | C10 | H10 | 119.5° | 120.2° |
| C10 | C9 | C12 | 117.6° | 120.0° |
| N2 | C13 | C14 | 118.5° | 120.1° |
| N2 | C13 | C18 | 123.0° | 120.1° |
| C13 | N2 | C12 | 125.9° | 120.0° |
| C13 | N2 | HN2 | 117.1° | 120.0° |
| C14 | C13 | C18 | 118.5° | 119.9° |
| C13 | C14 | C15 | 120.6° | 119.9° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C13 | C18 | C17 | 121.8° | 119.9° |
| C13 | C18 | H18 | 119.1° | 120.1° |
| C14 | C15 | C16 | 120.8° | 120.1° |
| C14 | C15 | H15 | 119.6° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.1° |
| C16 | C15 | H15 | 119.6° | 119.9° |
| C15 | C16 | C17 | 119.3° | 120.1° |
| C15 | C16 | C20 | 118.2° | 120.0° |
| C18 | C17 | C16 | 118.9° | 120.0° |
| C18 | C17 | C19 | 118.9° | 120.0° |
| C17 | C18 | H18 | 119.1° | 120.0° |
| C16 | C17 | C19 | 122.1° | 120.0° |
| C17 | C16 | C20 | 122.5° | 119.9° |
| C17 | C19 | F1 | 109.1° | 109.5° |
| C17 | C19 | F2 | 114.0° | 109.5° |
| C17 | C19 | F3 | 109.9° | 109.5° |
| C16 | C20 | H20 | 108.0° | 109.5° |
| C16 | C20 | H20A | 108.0° | 109.5° |
| H20 | C20 | H20A | 110.9° | 109.4° |
| C22 | C21 | H21 | 109.4° | 109.5° |
| C22 | C21 | H21A | 109.3° | 109.5° |
| C21 | C22 | N4 | 111.8° | 109.4° |
| C21 | C22 | H22 | 108.7° | 109.5° |
| C21 | C22 | H22A | 108.7° | 109.5° |
| H21 | C21 | H21A | 109.6° | 109.5° |
| N4 | C22 | H22 | 108.7° | 109.5° |
| N4 | C22 | H22A | 108.7° | 109.5° |
| C22 | N4 | C23 | 111.1° | 110.9° |
| C22 | N4 | C25 | 111.3° | 111.0° |
| H22 | C22 | H22A | 110.2° | 109.5° |
| C23 | C24 | H24 | 109.4° | 109.5° |
| C23 | C24 | H24A | 109.4° | 109.5° |
| C24 | C23 | N4 | 111.0° | 109.4° |
| C24 | C23 | H23 | 109.0° | 109.5° |
| C24 | C23 | H23A | 108.9° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| N82 | C26 | H26 | 109.5° | 109.4° |
| N82 | C26 | H26A | 109.5° | 109.5° |
| N82 | C26 | H26B | 109.5° | 109.5° |
| C26 | N82 | C84 | 130.1° | 126.6° |
| C26 | N82 | C2 | 125.0° | 126.6° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| O2 | C81 | C84 | 120.2° | 120.0° |
| O2 | C81 | N5 | 121.3° | 120.0° |
| C84 | C81 | N5 | 118.4° | 120.0° |
| C81 | C84 | N82 | 120.3° | 125.6° |
| C81 | N5 | HN5 | 120.0° | 120.0° |
| C81 | N5 | HN5A | 120.0° | 120.0° |
| C84 | N82 | C2 | 103.2° | 106.9° |
| N82 | C2 | C1 | 109.7° | 106.5° |
| N82 | C2 | C3 | 126.1° | 126.8° |
| C2 | C1 | H1 | 124.9° | 126.0° |
| C1 | C2 | C3 | 124.2° | 126.7° |
| C9 | C12 | N2 | 117.4° | 120.0° |
| C9 | C12 | O1 | 119.2° | 120.0° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.4° |
| N2 | C12 | O1 | 123.4° | 120.0° |
| C12 | N2 | HN2 | 117.0° | 120.0° |
| F1 | C19 | F2 | 106.3° | 109.5° |
| F1 | C19 | F3 | 110.6° | 109.4° |
| F2 | C19 | F3 | 106.9° | 109.4° |
| N4 | C23 | H23 | 109.0° | 109.5° |
| N4 | C23 | H23A | 109.0° | 109.5° |
| C23 | N4 | C25 | 114.3° | 111.0° |
| H23 | C23 | H23A | 110.0° | 109.5° |
| C27 | C25 | N4 | 114.7° | 109.5° |
| C27 | C25 | H25 | 107.8° | 109.5° |
| C27 | C25 | H25A | 107.8° | 109.5° |
| C25 | C27 | O3 | 111.3° | 109.5° |
| C25 | C27 | H27 | 108.9° | 109.5° |
| C25 | C27 | H27A | 108.9° | 109.4° |
| N4 | C25 | H25 | 107.8° | 109.5° |
| N4 | C25 | H25A | 107.8° | 109.5° |
| H25 | C25 | H25A | 111.1° | 109.5° |
| HN5 | N5 | HN5A | 120.0° | 120.0° |
| O3 | C27 | H27 | 108.9° | 109.5° |
| O3 | C27 | H27A | 108.9° | 109.5° |
| C27 | O3 | HO3 | 109.5° | 114.0° |
| H27 | C27 | H27A | 110.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C84 | N82 | C26 | 171.9° | 179.9° |
| N1 | C84 | C81 | O2 | 169.3° | 180.0° |
| N1 | C84 | C81 | N82 | 178.4° | 179.9° |
| N1 | C84 | C81 | N5 | 9.4° | 0.0° |
| N1 | C84 | N82 | C2 | 6.4° | 0.0° |
| C84 | N1 | C1 | C2 | 7.3° | 0.0° |
| C84 | N1 | C1 | H1 | 172.7° | 180.0° |
| C1 | N1 | C84 | C81 | 173.0° | 180.0° |
| C1 | N1 | C84 | N82 | 8.4° | 0.0° |
| N1 | C1 | C2 | N82 | 3.3° | 0.0° |
| N1 | C1 | C2 | H1 | 180.0° | 180.0° |
| N1 | C1 | C2 | C3 | 176.2° | 180.0° |
| C21 | N3 | C24 | C20 | 131.3° | 123.9° |
| C21 | N3 | C20 | C16 | 60.6° | 66.2° |
| C21 | N3 | C20 | H20 | 179.4° | 173.8° |
| C21 | N3 | C20 | H20A | 59.5° | 53.8° |
| N3 | C21 | C22 | H21 | 120.0° | 120.0° |
| N3 | C21 | C22 | H21A | 120.0° | 120.0° |
| N3 | C21 | H21 | H21A | 119.9° | 120.1° |
| N3 | C21 | C22 | N4 | 55.1° | 58.4° |
| N3 | C21 | C22 | H22 | 64.9° | 61.6° |
| N3 | C21 | C22 | H22A | 175.2° | 178.4° |
| C21 | N3 | C24 | C23 | 60.0° | 59.3° |
| C21 | N3 | C24 | H24 | 60.0° | 60.6° |
| C21 | N3 | C24 | H24A | 180.0° | 179.3° |
| C24 | N3 | C20 | C16 | 170.3° | 170.0° |
| C24 | N3 | C20 | H20 | 50.3° | 50.0° |
| C24 | N3 | C20 | H20A | 69.7° | 70.0° |
| C24 | N3 | C21 | C22 | 58.5° | 59.3° |
| C24 | N3 | C21 | H21 | 178.5° | 179.3° |
| C24 | N3 | C21 | H21A | 61.5° | 60.7° |
| N3 | C24 | C23 | H24 | 120.0° | 119.9° |
| N3 | C24 | C23 | H24A | 120.0° | 120.0° |
| N3 | C24 | H24 | H24A | 119.9° | 120.0° |
| N3 | C24 | C23 | N4 | 57.7° | 58.4° |
| N3 | C24 | C23 | H23 | 177.7° | 178.3° |
| N3 | C24 | C23 | H23A | 62.3° | 61.6° |
| N3 | C20 | C16 | C15 | 37.4° | 100.0° |
| N3 | C20 | C16 | C17 | 142.1° | 80.0° |
| N3 | C20 | C16 | H20 | 120.0° | 120.0° |
| N3 | C20 | C16 | H20A | 120.0° | 120.0° |
| N3 | C20 | H20 | H20A | 118.1° | 120.0° |
| C20 | N3 | C21 | C22 | 171.5° | 176.8° |
| C20 | N3 | C21 | H21 | 51.6° | 56.8° |
| C20 | N3 | C21 | H21A | 68.5° | 63.2° |
| C20 | N3 | C24 | C23 | 168.7° | 176.8° |
| C20 | N3 | C24 | H24 | 71.3° | 63.3° |
| C20 | N3 | C24 | H24A | 48.7° | 56.8° |
| C4 | C5 | C6 | C10 | 179.9° | 179.7° |
| C4 | C5 | C6 | C11 | 0.4° | 0.0° |
| C4 | C5 | C6 | C7 | 179.4° | 180.0° |
| C4 | C5 | C10 | C9 | 179.7° | 179.8° |
| C4 | C5 | C10 | H10 | 0.3° | 0.0° |
| C5 | C4 | C3 | C2 | 15.6° | 73.7° |
| C3 | C4 | C5 | C6 | 90.3° | 2.9° |
| C3 | C4 | C5 | C10 | 89.9° | 176.8° |
| C4 | C3 | C2 | N82 | 152.4° | 70.5° |
| C4 | C3 | C2 | C1 | 27.0° | 109.5° |
| C5 | C6 | C11 | C7 | 179.8° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | H7 | 179.5° | 179.9° |
| C6 | C5 | C10 | C9 | 0.4° | 0.5° |
| C6 | C5 | C10 | H10 | 179.6° | 179.7° |
| C5 | C6 | C11 | H11 | 90.1° | 90.1° |
| C5 | C6 | C11 | H11A | 149.9° | 149.9° |
| C5 | C6 | C11 | H11B | 29.9° | 30.0° |
| C10 | C5 | C6 | C11 | 179.5° | 179.7° |
| C10 | C5 | C6 | C7 | 0.7° | 0.3° |
| C5 | C10 | C9 | C8 | 0.0° | 0.5° |
| C5 | C10 | C9 | H10 | 180.0° | 179.8° |
| C5 | C10 | C9 | C12 | 180.0° | 179.7° |
| C11 | C6 | C7 | C8 | 179.7° | 180.0° |
| C11 | C6 | C7 | H7 | 0.3° | 0.0° |
| C6 | C11 | H11 | H11A | 120.0° | 120.0° |
| C6 | C11 | H11 | H11B | 120.0° | 120.0° |
| C6 | C11 | H11A | H11B | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C6 | C11 | H11 | 90.1° | 90.0° |
| C7 | C6 | C11 | H11A | 29.9° | 30.0° |
| C7 | C6 | C11 | H11B | 149.9° | 150.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.2° |
| C7 | C8 | C9 | C12 | 179.8° | 180.0° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C8 | C9 | C10 | C12 | 180.0° | 179.8° |
| C8 | C9 | C10 | H10 | 180.0° | 179.8° |
| C8 | C9 | C12 | N2 | 8.2° | 0.0° |
| C8 | C9 | C12 | O1 | 171.0° | 179.9° |
| H8 | C8 | C9 | C10 | 179.8° | 179.8° |
| H8 | C8 | C9 | C12 | 0.2° | 0.0° |
| C10 | C9 | C12 | N2 | 171.9° | 179.8° |
| C10 | C9 | C12 | O1 | 8.9° | 0.3° |
| H10 | C10 | C9 | C12 | 0.0° | 0.0° |
| N2 | C13 | C14 | C18 | 179.6° | 179.8° |
| N2 | C13 | C14 | C15 | 179.7° | 179.8° |
| N2 | C13 | C18 | C17 | 179.8° | 180.0° |
| C13 | N2 | C12 | C9 | 164.7° | 174.8° |
| C13 | N2 | C12 | HN2 | 180.0° | 179.9° |
| C13 | N2 | C12 | O1 | 14.4° | 5.2° |
| N2 | C13 | C14 | H14 | 0.3° | 0.2° |
| N2 | C13 | C18 | H18 | 0.2° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H15 | 179.8° | 179.7° |
| C14 | C13 | C18 | C17 | 0.2° | 0.2° |
| C14 | C13 | N2 | C12 | 167.8° | 32.9° |
| C14 | C13 | N2 | HN2 | 12.2° | 147.0° |
| C14 | C13 | C18 | H18 | 179.8° | 179.7° |
| C18 | C13 | C14 | C15 | 0.0° | 0.1° |
| C13 | C18 | C17 | H18 | 180.0° | 179.9° |
| C13 | C18 | C17 | C16 | 0.2° | 0.5° |
| C13 | C18 | C17 | C19 | 179.9° | 180.0° |
| C18 | C13 | N2 | C12 | 11.9° | 147.2° |
| C18 | C13 | N2 | HN2 | 168.1° | 32.9° |
| C18 | C13 | C14 | H14 | 180.0° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C14 | C15 | C16 | C20 | 179.7° | 179.8° |
| C15 | C16 | C17 | C18 | 0.0° | 0.5° |
| C15 | C16 | C17 | C20 | 179.6° | 180.0° |
| C15 | C16 | C17 | C19 | 179.7° | 180.0° |
| C15 | C16 | C20 | H20 | 82.6° | 140.0° |
| C15 | C16 | C20 | H20A | 157.4° | 20.0° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| H15 | C15 | C16 | C17 | 179.8° | 180.0° |
| H15 | C15 | C16 | C20 | 0.3° | 0.0° |
| H15 | C15 | C14 | H14 | 0.2° | 0.3° |
| C18 | C17 | C16 | C19 | 179.7° | 179.5° |
| C18 | C17 | C16 | C20 | 179.6° | 179.5° |
| C18 | C17 | C19 | F1 | 110.0° | 119.6° |
| C18 | C17 | C19 | F2 | 8.6° | 0.5° |
| C18 | C17 | C19 | F3 | 128.6° | 120.5° |
| C17 | C16 | C20 | H20 | 97.9° | 40.0° |
| C17 | C16 | C20 | H20A | 22.1° | 160.0° |
| C16 | C17 | C18 | H18 | 179.8° | 179.4° |
| C16 | C17 | C19 | F1 | 69.7° | 59.9° |
| C16 | C17 | C19 | F2 | 171.7° | 180.0° |
| C16 | C17 | C19 | F3 | 51.7° | 60.0° |
| C19 | C17 | C16 | C20 | 0.2° | 0.0° |
| C19 | C17 | C18 | H18 | 0.1° | 0.1° |
| C17 | C19 | F1 | F2 | 123.3° | 120.1° |
| C17 | C19 | F1 | F3 | 121.0° | 120.0° |
| C17 | C19 | F2 | F3 | 121.6° | 120.0° |
| C16 | C20 | H20 | H20A | 118.1° | 120.0° |
| C22 | C21 | H21 | H21A | 119.9° | 120.0° |
| C21 | C22 | N4 | H22 | 120.0° | 119.9° |
| C21 | C22 | N4 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22A | 119.0° | 120.0° |
| C21 | C22 | N4 | C23 | 53.7° | 59.3° |
| C21 | C22 | N4 | C25 | 177.7° | 176.8° |
| H21 | C21 | C22 | N4 | 175.1° | 178.4° |
| H21 | C21 | C22 | H22 | 55.1° | 58.4° |
| H21 | C21 | C22 | H22A | 64.9° | 61.7° |
| H21A | C21 | C22 | N4 | 64.9° | 61.6° |
| H21A | C21 | C22 | H22 | 175.1° | 178.4° |
| H21A | C21 | C22 | H22A | 55.1° | 58.3° |
| N4 | C22 | H22 | H22A | 119.1° | 120.1° |
| C22 | N4 | C23 | C24 | 54.7° | 59.3° |
| C22 | N4 | C23 | C25 | 127.0° | 123.9° |
| C22 | N4 | C23 | H23 | 174.7° | 179.3° |
| C22 | N4 | C23 | H23A | 65.2° | 60.6° |
| C22 | N4 | C25 | C27 | 172.2° | 75.5° |
| C22 | N4 | C25 | H25 | 67.9° | 164.5° |
| C22 | N4 | C25 | H25A | 52.2° | 44.5° |
| H22 | C22 | N4 | C23 | 66.3° | 60.6° |
| H22 | C22 | N4 | C25 | 62.3° | 63.2° |
| H22A | C22 | N4 | C23 | 173.7° | 179.3° |
| H22A | C22 | N4 | C25 | 57.7° | 56.9° |
| C23 | C24 | H24 | H24A | 119.9° | 120.1° |
| C24 | C23 | N4 | H23 | 120.0° | 120.0° |
| C24 | C23 | N4 | H23A | 120.0° | 119.9° |
| C24 | C23 | H23 | H23A | 119.3° | 120.0° |
| C24 | C23 | N4 | C25 | 178.3° | 176.8° |
| H24 | C24 | C23 | N4 | 62.3° | 61.5° |
| H24 | C24 | C23 | H23 | 57.7° | 58.4° |
| H24 | C24 | C23 | H23A | 177.6° | 178.5° |
| H24A | C24 | C23 | N4 | 177.7° | 178.4° |
| H24A | C24 | C23 | H23 | 62.3° | 61.6° |
| H24A | C24 | C23 | H23A | 57.7° | 58.4° |
| N82 | C26 | H26 | H26A | 120.0° | 120.0° |
| N82 | C26 | H26 | H26B | 120.0° | 120.0° |
| N82 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | N82 | C84 | C81 | 9.4° | 0.1° |
| C26 | N82 | C84 | C2 | 165.5° | 179.9° |
| C26 | N82 | C2 | C1 | 168.2° | 179.9° |
| C26 | N82 | C2 | C3 | 12.3° | 0.0° |
| H26 | C26 | H26A | H26B | 119.9° | 120.1° |
| H26 | C26 | N82 | C84 | 180.0° | 90.1° |
| H26 | C26 | N82 | C2 | 17.3° | 90.0° |
| H26A | C26 | N82 | C84 | 60.0° | 150.0° |
| H26A | C26 | N82 | C2 | 137.3° | 29.9° |
| H26B | C26 | N82 | C84 | 60.0° | 30.0° |
| H26B | C26 | N82 | C2 | 102.6° | 149.9° |
| O2 | C81 | C84 | N5 | 178.6° | 179.9° |
| O2 | C81 | C84 | N82 | 9.2° | 0.1° |
| O2 | C81 | N5 | HN5 | 0.0° | 179.9° |
| O2 | C81 | N5 | HN5A | 180.0° | 0.0° |
| C81 | C84 | N82 | C2 | 174.9° | 180.0° |
| C84 | C81 | N5 | HN5 | 178.6° | 0.0° |
| C84 | C81 | N5 | HN5A | 1.4° | 179.9° |
| N5 | C81 | C84 | N82 | 172.2° | 180.0° |
| C81 | N5 | HN5 | HN5A | 180.0° | 179.9° |
| C84 | N82 | C2 | C1 | 1.8° | 0.0° |
| C84 | N82 | C2 | C3 | 178.7° | 180.0° |
| N82 | C2 | C1 | C3 | 179.5° | 180.0° |
| N82 | C2 | C1 | H1 | 176.7° | 180.0° |
| H1 | C1 | C2 | C3 | 3.8° | 0.1° |
| C9 | C12 | N2 | O1 | 179.1° | 180.0° |
| C9 | C12 | N2 | HN2 | 15.3° | 5.1° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| O1 | C12 | N2 | HN2 | 165.6° | 174.9° |
| F1 | C19 | F2 | F3 | 118.2° | 119.9° |
| N4 | C23 | H23 | H23A | 119.4° | 120.1° |
| C23 | N4 | C25 | C27 | 45.3° | 160.6° |
| C23 | N4 | C25 | H25 | 165.3° | 40.6° |
| C23 | N4 | C25 | H25A | 74.7° | 79.4° |
| H23 | C23 | N4 | C25 | 58.3° | 56.8° |
| H23A | C23 | N4 | C25 | 61.7° | 63.3° |
| C27 | C25 | N4 | H25 | 120.0° | 120.0° |
| C27 | C25 | N4 | H25A | 120.0° | 120.0° |
| C27 | C25 | H25 | H25A | 117.9° | 120.0° |
| C25 | C27 | O3 | H27 | 120.0° | 120.0° |
| C25 | C27 | O3 | H27A | 120.0° | 120.0° |
| C25 | C27 | H27 | H27A | 119.3° | 120.0° |
| C25 | C27 | O3 | HO3 | 180.0° | 180.0° |
| N4 | C25 | H25 | H25A | 117.9° | 120.0° |
| N4 | C25 | C27 | O3 | 80.2° | 65.3° |
| N4 | C25 | C27 | H27 | 39.8° | 174.7° |
| N4 | C25 | C27 | H27A | 159.8° | 54.7° |
| H25 | C25 | C27 | O3 | 39.8° | 54.7° |
| H25 | C25 | C27 | H27 | 159.8° | 65.3° |
| H25 | C25 | C27 | H27A | 80.2° | 174.7° |
| H25A | C25 | C27 | O3 | 159.8° | 174.7° |
| H25A | C25 | C27 | H27 | 80.2° | 54.7° |
| H25A | C25 | C27 | H27A | 39.8° | 65.3° |
| O3 | C27 | H27 | H27A | 119.2° | 120.0° |
| H27 | C27 | O3 | HO3 | 60.0° | 60.0° |
| H27A | C27 | O3 | HO3 | 60.0° | 60.0° |
