AM5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.47Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.49Å | |
| C10 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | N3 | sing | 1.35Å | 1.36Å | |
| C11 | O1 | doub | 1.21Å | 1.24Å | |
| N3 | C14 | sing | 1.40Å | 1.37Å | |
| C14 | C15 | doub | 1.39Å | 1.45Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | C19 | sing | 1.38Å | 1.46Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.46Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.47Å | Aromatic |
| C17 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | F1 | sing | 1.40Å | 1.35Å | |
| C20 | F3 | sing | 1.40Å | 1.31Å | |
| C20 | F2 | sing | 1.40Å | 1.32Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C21 | doub | 1.40Å | 1.45Å | Aromatic |
| C13 | C8 | sing | 1.48Å | 1.39Å | |
| C21 | C22 | sing | 1.51Å | 1.47Å | |
| N1 | C23 | doub | 1.32Å | 1.37Å | Aromatic |
| N1 | C26 | sing | 1.32Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.44Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.44Å | Aromatic |
| C24 | N6 | sing | 1.40Å | 1.37Å | |
| C25 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C26 | doub | 1.33Å | 1.39Å | Aromatic |
| C26 | N7 | sing | 1.39Å | 1.40Å | |
| N6 | C8 | sing | 1.35Å | 1.33Å | |
| C8 | O2 | doub | 1.22Å | 1.23Å | |
| N7 | C5 | sing | 1.40Å | 1.37Å | |
| C27 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C27 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.45Å | Aromatic |
| C28 | N5 | sing | 1.40Å | 1.32Å | |
| C29 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | C5 | sing | 1.39Å | 1.45Å | Aromatic |
| C5 | C31 | doub | 1.39Å | 1.46Å | Aromatic |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| N2 | C2 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.47Å | 1.45Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | C21 | 115.1° | 120.3° |
| C7 | C9 | C10 | 120.8° | 120.1° |
| C9 | C7 | H7 | 122.4° | 119.8° |
| C7 | C9 | H9 | 119.6° | 120.0° |
| C7 | C21 | C13 | 122.5° | 120.1° |
| C7 | C21 | C22 | 116.7° | 119.9° |
| C21 | C7 | H7 | 122.4° | 119.9° |
| C9 | C10 | C11 | 125.3° | 120.1° |
| C9 | C10 | C12 | 123.0° | 119.8° |
| C10 | C9 | H9 | 119.6° | 119.9° |
| C11 | C10 | C12 | 111.7° | 120.1° |
| C10 | C11 | N3 | 110.7° | 120.0° |
| C10 | C11 | O1 | 122.7° | 120.0° |
| C10 | C12 | C13 | 115.1° | 119.8° |
| C10 | C12 | H12 | 122.4° | 120.1° |
| N3 | C11 | O1 | 126.5° | 120.0° |
| C11 | N3 | C14 | 125.4° | 120.0° |
| C11 | N3 | HN3 | 117.3° | 120.0° |
| N3 | C14 | C15 | 117.5° | 120.1° |
| N3 | C14 | C16 | 124.1° | 120.1° |
| C14 | N3 | HN3 | 117.3° | 120.0° |
| C15 | C14 | C16 | 118.4° | 119.8° |
| C14 | C15 | C19 | 123.5° | 119.9° |
| C14 | C15 | H15 | 118.3° | 120.0° |
| C14 | C16 | C17 | 118.7° | 119.9° |
| C14 | C16 | H16 | 120.7° | 120.0° |
| C15 | C19 | C18 | 118.3° | 120.1° |
| C19 | C15 | H15 | 118.3° | 120.0° |
| C15 | C19 | H19 | 120.8° | 120.0° |
| C19 | C18 | C17 | 119.0° | 120.1° |
| C18 | C19 | H19 | 120.8° | 120.0° |
| C19 | C18 | H18 | 120.5° | 119.9° |
| C18 | C17 | C16 | 122.1° | 120.1° |
| C18 | C17 | C20 | 121.6° | 120.0° |
| C17 | C18 | H18 | 120.5° | 120.0° |
| C16 | C17 | C20 | 116.3° | 119.9° |
| C17 | C16 | H16 | 120.6° | 120.1° |
| C17 | C20 | F1 | 106.3° | 109.4° |
| C17 | C20 | F3 | 105.2° | 109.5° |
| C17 | C20 | F2 | 117.2° | 109.5° |
| F1 | C20 | F3 | 111.2° | 109.4° |
| F1 | C20 | F2 | 109.5° | 109.5° |
| F3 | C20 | F2 | 107.4° | 109.5° |
| C12 | C13 | C21 | 123.4° | 119.8° |
| C12 | C13 | C8 | 116.8° | 120.1° |
| C13 | C12 | H12 | 122.4° | 120.1° |
| C21 | C13 | C8 | 119.7° | 120.0° |
| C13 | C21 | C22 | 120.8° | 120.0° |
| C13 | C8 | N6 | 117.4° | 120.0° |
| C13 | C8 | O2 | 117.3° | 120.1° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.4° |
| C21 | C22 | H22B | 109.5° | 109.5° |
| C23 | N1 | C26 | 119.1° | 120.9° |
| N1 | C23 | C24 | 121.8° | 119.1° |
| N1 | C23 | H23 | 119.1° | 120.5° |
| N1 | C26 | N4 | 121.2° | 121.7° |
| N1 | C26 | N7 | 117.9° | 119.1° |
| C23 | C24 | C25 | 116.0° | 118.4° |
| C23 | C24 | N6 | 119.5° | 120.8° |
| C24 | C23 | H23 | 119.1° | 120.4° |
| C25 | C24 | N6 | 124.5° | 120.8° |
| C24 | C25 | N4 | 120.1° | 119.1° |
| C24 | C25 | H25 | 119.9° | 120.5° |
| C24 | N6 | C8 | 124.6° | 120.0° |
| C24 | N6 | HN6 | 117.7° | 120.1° |
| C25 | N4 | C26 | 121.9° | 120.8° |
| N4 | C25 | H25 | 119.9° | 120.4° |
| N4 | C26 | N7 | 120.9° | 119.2° |
| C26 | N7 | C5 | 128.2° | 120.0° |
| C26 | N7 | HN7 | 115.9° | 120.1° |
| N6 | C8 | O2 | 125.3° | 120.0° |
| C8 | N6 | HN6 | 117.7° | 119.9° |
| N7 | C5 | C30 | 118.4° | 120.0° |
| N7 | C5 | C31 | 119.0° | 120.0° |
| C5 | N7 | HN7 | 115.9° | 120.0° |
| C28 | C27 | C31 | 115.7° | 120.0° |
| C27 | C28 | C29 | 125.6° | 120.0° |
| C27 | C28 | N5 | 120.6° | 120.0° |
| C28 | C27 | H27 | 122.2° | 120.0° |
| C27 | C31 | C5 | 120.7° | 120.0° |
| C31 | C27 | H27 | 122.1° | 120.0° |
| C27 | C31 | H31 | 119.6° | 120.0° |
| C29 | C28 | N5 | 113.8° | 120.0° |
| C28 | C29 | C30 | 117.5° | 120.0° |
| C28 | C29 | H29 | 121.2° | 120.0° |
| C28 | N5 | C4 | 121.4° | 111.0° |
| C28 | N5 | C6 | 118.9° | 111.0° |
| C29 | C30 | C5 | 117.8° | 120.0° |
| C30 | C29 | H29 | 121.3° | 120.0° |
| C29 | C30 | H30 | 121.1° | 120.1° |
| C30 | C5 | C31 | 122.6° | 120.0° |
| C5 | C30 | H30 | 121.1° | 119.9° |
| C5 | C31 | H31 | 119.7° | 120.0° |
| N2 | C1 | C6 | 111.7° | 109.3° |
| C1 | N2 | C3 | 117.1° | 110.8° |
| C1 | N2 | C2 | 107.3° | 111.0° |
| N2 | C1 | H1 | 108.7° | 109.5° |
| N2 | C1 | H1A | 108.2° | 109.5° |
| C1 | C6 | N5 | 114.1° | 109.3° |
| C6 | C1 | H1 | 108.7° | 109.5° |
| C6 | C1 | H1A | 108.2° | 109.5° |
| C1 | C6 | H6 | 107.9° | 109.5° |
| C1 | C6 | H6A | 106.9° | 109.5° |
| C3 | N2 | C2 | 100.5° | 111.0° |
| N2 | C3 | C4 | 110.0° | 109.4° |
| N2 | C3 | H3 | 109.3° | 109.5° |
| N2 | C3 | H3A | 109.2° | 109.5° |
| N2 | C2 | H2 | 109.5° | 109.5° |
| N2 | C2 | H2A | 109.5° | 109.5° |
| N2 | C2 | H2B | 109.4° | 109.5° |
| C3 | C4 | N5 | 108.6° | 109.4° |
| C4 | C3 | H3 | 109.3° | 109.5° |
| C4 | C3 | H3A | 109.2° | 109.5° |
| C3 | C4 | H4 | 109.8° | 109.5° |
| C3 | C4 | H4A | 110.0° | 109.5° |
| C4 | N5 | C6 | 119.6° | 110.9° |
| N5 | C4 | H4 | 109.8° | 109.5° |
| N5 | C4 | H4A | 109.9° | 109.5° |
| N5 | C6 | H6 | 108.0° | 109.5° |
| N5 | C6 | H6A | 106.9° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H1 | C1 | H1A | 111.2° | 109.5° |
| H3 | C3 | H3A | 109.8° | 109.5° |
| H4 | C4 | H4A | 108.8° | 109.5° |
| H6 | C6 | H6A | 113.2° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| H2 | C2 | H2B | 109.4° | 109.4° |
| H2A | C2 | H2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | C21 | H7 | 180.0° | 179.8° |
| C7 | C9 | C10 | H9 | 180.0° | 179.9° |
| C7 | C9 | C10 | C11 | 177.5° | 180.0° |
| C7 | C9 | C10 | C12 | 0.8° | 0.1° |
| C9 | C7 | C21 | C13 | 0.5° | 0.0° |
| C9 | C7 | C21 | C22 | 178.5° | 180.0° |
| C21 | C7 | C9 | C10 | 0.2° | 0.0° |
| C7 | C21 | C13 | C12 | 0.6° | 0.0° |
| C7 | C21 | C13 | C22 | 179.0° | 180.0° |
| C7 | C21 | C13 | C8 | 175.6° | 180.0° |
| C21 | C7 | C9 | H9 | 179.8° | 180.0° |
| C7 | C21 | C22 | H22 | 100.8° | 97.6° |
| C7 | C21 | C22 | H22A | 139.2° | 142.4° |
| C7 | C21 | C22 | H22B | 19.2° | 22.4° |
| C9 | C10 | C11 | C12 | 178.5° | 179.9° |
| C9 | C10 | C11 | N3 | 15.0° | 0.1° |
| C9 | C10 | C11 | O1 | 169.1° | 180.0° |
| C9 | C10 | C12 | C13 | 0.7° | 0.1° |
| C10 | C9 | C7 | H7 | 179.8° | 179.8° |
| C9 | C10 | C12 | H12 | 179.4° | 180.0° |
| C10 | C11 | N3 | O1 | 175.7° | 179.9° |
| C10 | C11 | N3 | C14 | 167.6° | 175.5° |
| C11 | C10 | C12 | C13 | 177.9° | 180.0° |
| C11 | C10 | C9 | H9 | 2.4° | 0.1° |
| C10 | C11 | N3 | HN3 | 12.4° | 4.4° |
| C11 | C10 | C12 | H12 | 2.1° | 0.1° |
| C12 | C10 | C11 | N3 | 166.5° | 180.0° |
| C12 | C10 | C11 | O1 | 9.4° | 0.1° |
| C10 | C12 | C13 | H12 | 180.0° | 180.0° |
| C10 | C12 | C13 | C21 | 0.1° | 0.0° |
| C10 | C12 | C13 | C8 | 176.3° | 180.0° |
| C12 | C10 | C9 | H9 | 179.2° | 180.0° |
| C11 | N3 | C14 | HN3 | 180.0° | 179.9° |
| C11 | N3 | C14 | C15 | 167.8° | 35.5° |
| C11 | N3 | C14 | C16 | 11.9° | 144.8° |
| O1 | C11 | N3 | C14 | 16.7° | 4.6° |
| O1 | C11 | N3 | HN3 | 163.3° | 175.5° |
| N3 | C14 | C15 | C16 | 179.7° | 179.7° |
| N3 | C14 | C15 | C19 | 179.4° | 180.0° |
| N3 | C14 | C16 | C17 | 179.6° | 179.7° |
| N3 | C14 | C15 | H15 | 0.6° | 0.1° |
| N3 | C14 | C16 | H16 | 0.4° | 0.1° |
| C14 | C15 | C19 | H15 | 180.0° | 179.9° |
| C14 | C15 | C19 | C18 | 0.2° | 0.0° |
| C15 | C14 | C16 | C17 | 0.1° | 0.6° |
| C15 | C14 | N3 | HN3 | 12.2° | 144.5° |
| C14 | C15 | C19 | H19 | 179.8° | 180.0° |
| C15 | C14 | C16 | H16 | 179.9° | 179.7° |
| C16 | C14 | C15 | C19 | 0.3° | 0.3° |
| C14 | C16 | C17 | C18 | 0.2° | 0.6° |
| C14 | C16 | C17 | H16 | 180.0° | 179.7° |
| C14 | C16 | C17 | C20 | 178.2° | 179.7° |
| C16 | C14 | N3 | HN3 | 168.1° | 35.2° |
| C16 | C14 | C15 | H15 | 179.6° | 179.8° |
| C15 | C19 | C18 | H19 | 180.0° | 180.0° |
| C15 | C19 | C18 | C17 | 0.1° | 0.0° |
| C15 | C19 | C18 | H18 | 179.9° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.3° | 0.3° |
| C19 | C18 | C17 | C20 | 178.0° | 179.9° |
| C18 | C19 | C15 | H15 | 179.8° | 180.0° |
| C18 | C17 | C16 | C20 | 178.4° | 179.7° |
| C18 | C17 | C20 | F1 | 138.4° | 0.0° |
| C18 | C17 | C20 | F3 | 103.6° | 120.0° |
| C18 | C17 | C20 | F2 | 15.6° | 120.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C17 | C16 | H16 | 179.8° | 179.7° |
| C16 | C17 | C20 | F1 | 40.0° | 179.7° |
| C16 | C17 | C20 | F3 | 77.9° | 59.8° |
| C16 | C17 | C20 | F2 | 162.8° | 60.3° |
| C16 | C17 | C18 | H18 | 179.6° | 179.7° |
| C17 | C20 | F1 | F3 | 113.9° | 120.0° |
| C17 | C20 | F1 | F2 | 127.5° | 120.0° |
| C17 | C20 | F3 | F2 | 125.6° | 120.1° |
| C20 | C17 | C18 | H18 | 2.0° | 0.0° |
| C20 | C17 | C16 | H16 | 1.8° | 0.0° |
| F1 | C20 | F3 | F2 | 119.8° | 120.0° |
| C12 | C13 | C21 | C8 | 176.3° | 180.0° |
| C12 | C13 | C21 | C22 | 178.3° | 180.0° |
| C12 | C13 | C8 | N6 | 77.2° | 6.5° |
| C12 | C13 | C8 | O2 | 102.9° | 173.5° |
| C21 | C13 | C8 | N6 | 106.3° | 173.5° |
| C21 | C13 | C8 | O2 | 73.6° | 6.4° |
| C13 | C21 | C7 | H7 | 179.5° | 179.8° |
| C21 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C21 | C22 | H22 | 78.3° | 82.3° |
| C13 | C21 | C22 | H22A | 41.8° | 37.6° |
| C13 | C21 | C22 | H22B | 161.8° | 157.6° |
| C8 | C13 | C21 | C22 | 5.4° | 0.0° |
| C13 | C8 | N6 | C24 | 166.9° | 175.1° |
| C13 | C8 | N6 | O2 | 179.9° | 180.0° |
| C8 | C13 | C12 | H12 | 3.7° | 0.0° |
| C13 | C8 | N6 | HN6 | 13.1° | 4.8° |
| C22 | C21 | C7 | H7 | 1.5° | 0.2° |
| C21 | C22 | H22 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22B | 120.0° | 120.0° |
| C21 | C22 | H22A | H22B | 120.0° | 120.0° |
| N1 | C23 | C24 | H23 | 180.0° | 180.0° |
| N1 | C23 | C24 | C25 | 0.0° | 0.0° |
| N1 | C23 | C24 | N6 | 178.6° | 180.0° |
| C23 | N1 | C26 | N4 | 0.1° | 0.0° |
| C23 | N1 | C26 | N7 | 179.0° | 179.9° |
| C26 | N1 | C23 | C24 | 0.0° | 0.0° |
| N1 | C26 | N4 | C25 | 0.2° | 0.0° |
| N1 | C26 | N4 | N7 | 179.1° | 179.9° |
| N1 | C26 | N7 | C5 | 167.3° | 174.4° |
| C26 | N1 | C23 | H23 | 180.0° | 180.0° |
| N1 | C26 | N7 | HN7 | 12.7° | 5.7° |
| C23 | C24 | C25 | N6 | 178.5° | 180.0° |
| C23 | C24 | C25 | N4 | 0.1° | 0.0° |
| C23 | C24 | N6 | C8 | 175.5° | 32.9° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C23 | C24 | N6 | HN6 | 4.6° | 147.0° |
| C24 | C25 | N4 | H25 | 180.0° | 180.0° |
| C24 | C25 | N4 | C26 | 0.2° | 0.1° |
| C25 | C24 | N6 | C8 | 6.1° | 147.1° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C25 | C24 | N6 | HN6 | 173.9° | 32.9° |
| N6 | C24 | C25 | N4 | 178.4° | 180.0° |
| C24 | N6 | C8 | HN6 | 180.0° | 180.0° |
| C24 | N6 | C8 | O2 | 13.2° | 4.9° |
| N6 | C24 | C23 | H23 | 1.4° | 0.0° |
| N6 | C24 | C25 | H25 | 1.6° | 0.0° |
| C25 | N4 | C26 | N7 | 178.9° | 180.0° |
| N4 | C26 | N7 | C5 | 11.9° | 5.5° |
| C26 | N4 | C25 | H25 | 179.8° | 180.0° |
| N4 | C26 | N7 | HN7 | 168.1° | 174.4° |
| C26 | N7 | C5 | HN7 | 180.0° | 179.9° |
| C26 | N7 | C5 | C30 | 150.7° | 33.7° |
| C26 | N7 | C5 | C31 | 29.2° | 146.4° |
| O2 | C8 | N6 | HN6 | 166.8° | 175.2° |
| N7 | C5 | C31 | C27 | 179.8° | 180.0° |
| N7 | C5 | C30 | C29 | 179.8° | 180.0° |
| N7 | C5 | C30 | C31 | 179.9° | 179.9° |
| N7 | C5 | C30 | H30 | 0.2° | 0.0° |
| N7 | C5 | C31 | H31 | 0.2° | 0.1° |
| C28 | C27 | C31 | H27 | 180.0° | 179.8° |
| C27 | C28 | C29 | N5 | 179.1° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C31 | C5 | 0.1° | 0.0° |
| C27 | C28 | N5 | C4 | 142.1° | 180.0° |
| C27 | C28 | N5 | C6 | 37.3° | 56.2° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C28 | C27 | C31 | H31 | 179.9° | 180.0° |
| C31 | C27 | C28 | C29 | 0.1° | 0.0° |
| C31 | C27 | C28 | N5 | 178.9° | 180.0° |
| C27 | C31 | C5 | C30 | 0.1° | 0.0° |
| C27 | C31 | C5 | H31 | 180.0° | 179.9° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C5 | 0.1° | 0.0° |
| C29 | C28 | N5 | C4 | 37.0° | 0.0° |
| C29 | C28 | N5 | C6 | 143.6° | 123.8° |
| C29 | C28 | C27 | H27 | 179.9° | 179.7° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| N5 | C28 | C29 | C30 | 179.0° | 180.0° |
| C28 | N5 | C6 | C1 | 139.1° | 176.8° |
| C28 | N5 | C4 | C3 | 131.5° | 176.8° |
| C28 | N5 | C4 | C6 | 179.4° | 123.9° |
| N5 | C28 | C27 | H27 | 1.0° | 0.3° |
| N5 | C28 | C29 | H29 | 1.0° | 0.0° |
| C28 | N5 | C4 | H4 | 108.5° | 63.2° |
| C28 | N5 | C4 | H4A | 11.1° | 56.8° |
| C28 | N5 | C6 | H6 | 19.1° | 56.9° |
| C28 | N5 | C6 | H6A | 102.9° | 63.2° |
| C29 | C30 | C5 | H30 | 180.0° | 180.0° |
| C29 | C30 | C5 | C31 | 0.1° | 0.0° |
| C30 | C5 | N7 | HN7 | 29.2° | 146.4° |
| C5 | C30 | C29 | H29 | 179.9° | 180.0° |
| C30 | C5 | C31 | H31 | 179.9° | 180.0° |
| C31 | C5 | N7 | HN7 | 150.9° | 33.6° |
| C5 | C31 | C27 | H27 | 179.9° | 179.7° |
| C31 | C5 | C30 | H30 | 179.9° | 180.0° |
| N2 | C1 | C6 | H1 | 120.0° | 120.0° |
| N2 | C1 | C6 | H1A | 119.1° | 119.9° |
| C1 | N2 | C3 | C2 | 115.7° | 123.8° |
| C1 | N2 | C3 | C4 | 57.1° | 59.4° |
| N2 | C1 | C6 | N5 | 37.1° | 58.5° |
| N2 | C1 | H1 | H1A | 119.1° | 120.1° |
| C1 | N2 | C3 | H3 | 177.1° | 179.3° |
| C1 | N2 | C3 | H3A | 62.7° | 60.7° |
| N2 | C1 | C6 | H6 | 157.1° | 178.4° |
| N2 | C1 | C6 | H6A | 80.8° | 61.5° |
| C1 | N2 | C2 | H2 | 178.9° | 60.0° |
| C1 | N2 | C2 | H2A | 58.9° | 180.0° |
| C1 | N2 | C2 | H2B | 61.1° | 60.0° |
| C6 | C1 | N2 | C3 | 47.7° | 59.4° |
| C6 | C1 | N2 | C2 | 159.6° | 176.8° |
| C1 | C6 | N5 | C4 | 41.5° | 59.3° |
| C1 | C6 | N5 | H6 | 120.0° | 119.9° |
| C1 | C6 | N5 | H6A | 118.0° | 120.0° |
| C6 | C1 | H1 | H1A | 119.1° | 120.0° |
| C1 | C6 | H6 | H6A | 118.1° | 120.1° |
| N2 | C3 | C4 | H3 | 120.0° | 120.0° |
| N2 | C3 | C4 | H3A | 119.8° | 120.0° |
| N2 | C3 | C4 | N5 | 53.4° | 58.4° |
| C3 | N2 | C1 | H1 | 72.3° | 60.6° |
| C3 | N2 | C1 | H1A | 166.8° | 179.3° |
| N2 | C3 | H3 | H3A | 119.8° | 120.0° |
| N2 | C3 | C4 | H4 | 66.7° | 61.5° |
| N2 | C3 | C4 | H4A | 173.7° | 178.4° |
| C3 | N2 | C2 | H2 | 58.2° | 63.8° |
| C3 | N2 | C2 | H2A | 178.2° | 56.2° |
| C3 | N2 | C2 | H2B | 61.7° | 176.3° |
| C2 | N2 | C3 | C4 | 172.8° | 176.8° |
| C2 | N2 | C1 | H1 | 39.6° | 63.2° |
| C2 | N2 | C1 | H1A | 81.3° | 56.9° |
| C2 | N2 | C3 | H3 | 67.2° | 56.8° |
| C2 | N2 | C3 | H3A | 53.0° | 63.2° |
| N2 | C2 | H2 | H2A | 120.0° | 120.0° |
| N2 | C2 | H2 | H2B | 120.0° | 120.0° |
| N2 | C2 | H2A | H2B | 120.0° | 120.1° |
| C3 | C4 | N5 | H4 | 120.0° | 120.0° |
| C3 | C4 | N5 | H4A | 120.4° | 120.0° |
| C3 | C4 | N5 | C6 | 49.1° | 59.3° |
| C4 | C3 | H3 | H3A | 119.8° | 120.1° |
| C3 | C4 | H4 | H4A | 120.4° | 120.1° |
| N5 | C4 | C3 | H3 | 173.4° | 178.4° |
| N5 | C4 | C3 | H3A | 66.5° | 61.6° |
| N5 | C4 | H4 | H4A | 120.3° | 120.0° |
| C4 | N5 | C6 | H6 | 161.5° | 179.3° |
| C4 | N5 | C6 | H6A | 76.5° | 60.6° |
| N5 | C6 | C1 | H1 | 82.9° | 61.6° |
| N5 | C6 | C1 | H1A | 156.2° | 178.4° |
| C6 | N5 | C4 | H4 | 70.9° | 60.7° |
| C6 | N5 | C4 | H4A | 169.5° | 179.3° |
| N5 | C6 | H6 | H6A | 118.1° | 120.1° |
| H7 | C7 | C9 | H9 | 0.2° | 0.2° |
| H15 | C15 | C19 | H19 | 0.2° | 0.1° |
| H19 | C19 | C18 | H18 | 0.1° | 0.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H27 | C27 | C31 | H31 | 0.1° | 0.2° |
| H29 | C29 | C30 | H30 | 0.1° | 0.0° |
| H1 | C1 | C6 | H6 | 37.1° | 58.4° |
| H1 | C1 | C6 | H6A | 159.2° | 178.5° |
| H1A | C1 | C6 | H6 | 83.8° | 61.7° |
| H1A | C1 | C6 | H6A | 38.2° | 58.4° |
| H3 | C3 | C4 | H4 | 53.3° | 58.4° |
| H3 | C3 | C4 | H4A | 66.3° | 61.7° |
| H3A | C3 | C4 | H4 | 173.5° | 178.5° |
| H3A | C3 | C4 | H4A | 53.9° | 58.4° |
| H2 | C2 | H2A | H2B | 120.0° | 119.9° |
