Z75
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| F1 | C21 | sing | 1.35Å | 1.33Å | |
| C9 | N1 | sing | 1.47Å | 1.49Å | |
| C8 | N1 | sing | 1.46Å | 1.48Å | |
| N1 | C7 | sing | 1.35Å | 1.41Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| C7 | C2 | sing | 1.48Å | 1.47Å | |
| C3 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| F2 | C23 | sing | 1.35Å | 1.32Å | |
| C16 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C15 | sing | 1.35Å | 1.37Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | C15 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C29 | sing | 1.47Å | 1.48Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| O3 | C17 | sing | 1.43Å | 1.42Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C15 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | N4 | sing | 1.47Å | 1.49Å | |
| C30 | N4 | sing | 1.47Å | 1.53Å | |
| N4 | C28 | sing | 1.47Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C14 | sing | 1.51Å | 1.51Å | |
| C12 | C8 | sing | 1.53Å | 1.57Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C18 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C25 | sing | 1.53Å | 1.54Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C24 | C19 | doub | 1.38Å | 1.44Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C36 | C31 | doub | 1.38Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.0° | 120.1° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | C7 | 121.4° | 120.0° |
| C1 | C2 | C3 | 119.8° | 119.9° |
| C6 | C1 | H1 | 120.0° | 119.9° |
| C1 | C6 | C5 | 119.4° | 120.3° |
| C1 | C6 | C14 | 120.1° | 119.9° |
| F1 | C21 | C20 | 118.7° | 120.0° |
| F1 | C21 | C22 | 118.7° | 120.0° |
| C9 | N1 | C8 | 116.5° | 120.0° |
| C9 | N1 | C7 | 126.7° | 120.0° |
| N1 | C9 | C10 | 111.5° | 109.5° |
| N1 | C9 | H9 | 108.8° | 109.5° |
| N1 | C9 | H9A | 108.8° | 109.5° |
| C8 | N1 | C7 | 116.8° | 120.1° |
| N1 | C8 | C12 | 110.8° | 109.5° |
| N1 | C8 | H8 | 109.0° | 109.5° |
| N1 | C8 | H8A | 109.0° | 109.4° |
| N1 | C7 | O1 | 120.7° | 119.9° |
| N1 | C7 | C2 | 122.5° | 120.1° |
| O1 | C7 | C2 | 116.8° | 120.0° |
| C7 | C2 | C3 | 118.8° | 120.1° |
| C2 | C3 | C4 | 121.0° | 119.7° |
| C2 | C3 | H3 | 119.5° | 120.2° |
| F2 | C23 | C22 | 118.7° | 120.0° |
| F2 | C23 | C24 | 119.0° | 120.0° |
| C16 | N2 | C15 | 123.7° | 120.0° |
| C16 | N2 | HN2 | 118.1° | 120.0° |
| N2 | C16 | C18 | 107.5° | 109.4° |
| N2 | C16 | C17 | 113.0° | 109.5° |
| N2 | C16 | H16 | 109.3° | 109.4° |
| C15 | N2 | HN2 | 118.2° | 120.0° |
| N2 | C15 | O2 | 121.7° | 120.0° |
| N2 | C15 | C4 | 116.3° | 120.0° |
| O2 | C15 | C4 | 122.1° | 120.0° |
| C4 | C3 | H3 | 119.4° | 120.2° |
| C3 | C4 | C15 | 121.3° | 120.1° |
| C3 | C4 | C5 | 118.8° | 119.9° |
| C25 | N3 | C29 | 111.7° | 110.9° |
| C25 | N3 | HN3 | 108.7° | 111.1° |
| N3 | C25 | C17 | 107.8° | 109.5° |
| N3 | C25 | C26 | 110.3° | 109.3° |
| N3 | C25 | H25 | 111.2° | 109.5° |
| C29 | N3 | HN3 | 108.8° | 110.9° |
| N3 | C29 | C28 | 109.6° | 109.3° |
| N3 | C29 | H29 | 109.4° | 109.5° |
| N3 | C29 | H29A | 109.4° | 109.5° |
| C17 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C17 | C16 | 109.4° | 109.5° |
| O3 | C17 | C25 | 106.7° | 109.5° |
| O3 | C17 | H17 | 113.0° | 109.4° |
| C15 | C4 | C5 | 119.8° | 120.0° |
| C4 | C5 | C6 | 120.9° | 120.1° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C26 | N4 | C30 | 110.8° | 111.0° |
| C26 | N4 | C28 | 112.7° | 110.9° |
| N4 | C26 | C25 | 113.5° | 109.4° |
| N4 | C26 | H26 | 108.2° | 109.5° |
| N4 | C26 | H26A | 108.2° | 109.5° |
| C30 | N4 | C28 | 112.3° | 111.0° |
| N4 | C30 | C31 | 116.3° | 109.5° |
| N4 | C30 | H30 | 107.3° | 109.5° |
| N4 | C30 | H30A | 107.3° | 109.5° |
| N4 | C28 | C29 | 112.9° | 109.4° |
| N4 | C28 | H28 | 108.3° | 109.5° |
| N4 | C28 | H28A | 108.3° | 109.5° |
| C6 | C5 | H5 | 119.5° | 119.9° |
| C5 | C6 | C14 | 120.5° | 119.8° |
| C6 | C14 | H14 | 109.5° | 109.5° |
| C6 | C14 | H14A | 109.5° | 109.5° |
| C6 | C14 | H14B | 109.5° | 109.5° |
| C12 | C8 | H8 | 109.0° | 109.5° |
| C12 | C8 | H8A | 109.0° | 109.5° |
| C8 | C12 | C13 | 114.8° | 109.5° |
| C8 | C12 | H12 | 107.7° | 109.5° |
| C8 | C12 | H12A | 107.7° | 109.5° |
| H8 | C8 | H8A | 109.9° | 109.5° |
| C10 | C9 | H9 | 108.8° | 109.5° |
| C10 | C9 | H9A | 108.8° | 109.5° |
| C9 | C10 | C11 | 112.9° | 109.5° |
| C9 | C10 | H10 | 108.3° | 109.5° |
| C9 | C10 | H10A | 108.3° | 109.5° |
| H9 | C9 | H9A | 110.1° | 109.4° |
| C11 | C10 | H10 | 108.3° | 109.5° |
| C11 | C10 | H10A | 108.4° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.4° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| H10 | C10 | H10A | 110.6° | 109.4° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| C13 | C12 | H12 | 107.7° | 109.5° |
| C13 | C12 | H12A | 107.7° | 109.4° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.4° | 109.5° |
| C12 | C13 | H13B | 109.5° | 109.5° |
| H12 | C12 | H12A | 111.1° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| C18 | C16 | C17 | 111.9° | 109.5° |
| C18 | C16 | H16 | 110.5° | 109.4° |
| C16 | C18 | C19 | 113.1° | 109.5° |
| C16 | C18 | H18 | 108.3° | 109.4° |
| C16 | C18 | H18A | 108.3° | 109.5° |
| C17 | C16 | H16 | 104.7° | 109.5° |
| C16 | C17 | C25 | 113.9° | 109.5° |
| C16 | C17 | H17 | 105.6° | 109.5° |
| C25 | C17 | H17 | 108.3° | 109.5° |
| C17 | C25 | C26 | 112.6° | 109.5° |
| C17 | C25 | H25 | 108.8° | 109.5° |
| C19 | C18 | H18 | 108.3° | 109.5° |
| C19 | C18 | H18A | 108.3° | 109.5° |
| C18 | C19 | C24 | 121.5° | 120.0° |
| C18 | C19 | C20 | 119.8° | 120.0° |
| H18 | C18 | H18A | 110.7° | 109.5° |
| C24 | C19 | C20 | 118.8° | 120.0° |
| C19 | C24 | C23 | 119.4° | 120.0° |
| C19 | C24 | H24 | 120.3° | 120.0° |
| C19 | C20 | C21 | 119.7° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C21 | C20 | H20 | 120.2° | 120.0° |
| C20 | C21 | C22 | 122.6° | 120.0° |
| C21 | C22 | C23 | 117.3° | 119.9° |
| C21 | C22 | H22 | 121.3° | 120.0° |
| C23 | C22 | H22 | 121.4° | 120.0° |
| C22 | C23 | C24 | 122.2° | 120.0° |
| C23 | C24 | H24 | 120.3° | 120.0° |
| C26 | C25 | H25 | 106.2° | 109.5° |
| C25 | C26 | H26 | 108.1° | 109.5° |
| C25 | C26 | H26A | 108.1° | 109.4° |
| H26 | C26 | H26A | 110.8° | 109.5° |
| C29 | C28 | H28 | 108.4° | 109.5° |
| C29 | C28 | H28A | 108.3° | 109.5° |
| C28 | C29 | H29 | 109.4° | 109.5° |
| C28 | C29 | H29A | 109.4° | 109.4° |
| H28 | C28 | H28A | 110.6° | 109.5° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| C31 | C30 | H30 | 107.2° | 109.5° |
| C31 | C30 | H30A | 107.3° | 109.5° |
| C30 | C31 | C36 | 121.0° | 120.0° |
| C30 | C31 | C32 | 120.7° | 120.0° |
| H30 | C30 | H30A | 111.6° | 109.5° |
| C36 | C31 | C32 | 118.2° | 120.0° |
| C31 | C36 | C35 | 121.0° | 120.0° |
| C31 | C36 | H36 | 119.5° | 120.0° |
| C31 | C32 | C33 | 120.9° | 120.0° |
| C31 | C32 | H32 | 119.6° | 120.0° |
| C33 | C32 | H32 | 119.6° | 120.0° |
| C32 | C33 | C34 | 119.9° | 120.0° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C34 | C33 | H33 | 120.0° | 120.0° |
| C33 | C34 | C35 | 119.9° | 120.0° |
| C33 | C34 | H34 | 120.1° | 120.0° |
| C35 | C34 | H34 | 120.0° | 120.0° |
| C34 | C35 | C36 | 120.1° | 120.0° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C35 | C36 | H36 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C7 | N1 | 121.1° | 49.0° |
| C1 | C2 | C7 | O1 | 60.2° | 131.1° |
| C1 | C2 | C7 | C3 | 178.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | C14 | 179.7° | 179.7° |
| C6 | C1 | C2 | C7 | 179.2° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | C14 | 179.8° | 179.8° |
| C1 | C6 | C5 | H5 | 179.8° | 179.9° |
| C1 | C6 | C14 | H14 | 89.9° | 89.9° |
| C1 | C6 | C14 | H14A | 150.1° | 150.1° |
| C1 | C6 | C14 | H14B | 30.1° | 30.1° |
| H1 | C1 | C2 | C7 | 0.8° | 0.3° |
| H1 | C1 | C2 | C3 | 179.5° | 179.7° |
| H1 | C1 | C6 | C5 | 179.9° | 179.7° |
| H1 | C1 | C6 | C14 | 0.3° | 0.1° |
| F1 | C21 | C20 | C19 | 180.0° | 179.9° |
| F1 | C21 | C20 | C22 | 179.9° | 180.0° |
| F1 | C21 | C20 | H20 | 0.0° | 0.0° |
| F1 | C21 | C22 | C23 | 180.0° | 180.0° |
| F1 | C21 | C22 | H22 | 0.0° | 0.1° |
| C9 | N1 | C8 | C7 | 179.7° | 180.0° |
| C9 | N1 | C7 | O1 | 179.8° | 176.4° |
| C9 | N1 | C7 | C2 | 1.6° | 3.5° |
| C9 | N1 | C8 | C12 | 70.2° | 91.8° |
| C9 | N1 | C8 | H8 | 49.8° | 28.2° |
| C9 | N1 | C8 | H8A | 169.8° | 148.2° |
| N1 | C9 | C10 | H9 | 120.0° | 120.0° |
| N1 | C9 | C10 | H9A | 120.0° | 120.0° |
| N1 | C9 | H9 | H9A | 119.1° | 120.0° |
| N1 | C9 | C10 | C11 | 55.2° | 173.8° |
| N1 | C9 | C10 | H10 | 64.8° | 53.7° |
| N1 | C9 | C10 | H10A | 175.2° | 66.2° |
| C8 | N1 | C7 | O1 | 0.1° | 3.6° |
| C8 | N1 | C7 | C2 | 178.8° | 176.5° |
| N1 | C8 | C12 | H8 | 120.0° | 120.1° |
| N1 | C8 | C12 | H8A | 120.0° | 119.9° |
| N1 | C8 | H8 | H8A | 119.5° | 120.0° |
| C8 | N1 | C9 | C10 | 65.7° | 75.4° |
| C8 | N1 | C9 | H9 | 54.3° | 44.7° |
| C8 | N1 | C9 | H9A | 174.2° | 164.6° |
| N1 | C8 | C12 | C13 | 53.0° | 180.0° |
| N1 | C8 | C12 | H12 | 67.0° | 59.9° |
| N1 | C8 | C12 | H12A | 173.0° | 60.1° |
| N1 | C7 | O1 | C2 | 178.7° | 179.9° |
| N1 | C7 | C2 | C3 | 60.2° | 130.9° |
| C7 | N1 | C8 | C12 | 110.1° | 88.1° |
| C7 | N1 | C8 | H8 | 129.9° | 151.8° |
| C7 | N1 | C8 | H8A | 9.9° | 31.8° |
| C7 | N1 | C9 | C10 | 113.9° | 104.7° |
| C7 | N1 | C9 | H9 | 126.1° | 135.3° |
| C7 | N1 | C9 | H9A | 6.1° | 15.3° |
| O1 | C7 | C2 | C3 | 118.5° | 49.0° |
| C7 | C2 | C3 | C4 | 179.2° | 180.0° |
| C7 | C2 | C3 | H3 | 0.8° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C15 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| F2 | C23 | C24 | C19 | 179.9° | 179.7° |
| F2 | C23 | C22 | C21 | 180.0° | 180.0° |
| F2 | C23 | C22 | C24 | 180.0° | 179.7° |
| F2 | C23 | C22 | H22 | 0.0° | 0.0° |
| F2 | C23 | C24 | H24 | 0.0° | 0.0° |
| C16 | N2 | C15 | HN2 | 180.0° | 179.9° |
| C16 | N2 | C15 | O2 | 0.9° | 0.1° |
| N2 | C16 | C17 | O3 | 175.1° | 65.0° |
| C16 | N2 | C15 | C4 | 179.0° | 180.0° |
| N2 | C16 | C18 | C17 | 124.6° | 120.0° |
| N2 | C16 | C18 | H16 | 119.2° | 119.9° |
| N2 | C16 | C17 | H16 | 118.9° | 120.0° |
| N2 | C16 | C17 | C25 | 65.5° | 175.0° |
| N2 | C16 | C17 | H17 | 53.2° | 55.0° |
| N2 | C16 | C18 | C19 | 46.3° | 65.0° |
| N2 | C16 | C18 | H18 | 73.7° | 55.0° |
| N2 | C16 | C18 | H18A | 166.2° | 175.0° |
| N2 | C15 | O2 | C4 | 180.0° | 179.9° |
| N2 | C15 | C4 | C3 | 26.6° | 180.0° |
| N2 | C15 | C4 | C5 | 154.1° | 0.1° |
| C15 | N2 | C16 | C18 | 135.9° | 85.0° |
| C15 | N2 | C16 | C17 | 100.1° | 155.0° |
| C15 | N2 | C16 | H16 | 16.0° | 34.9° |
| HN2 | N2 | C15 | O2 | 179.1° | 180.0° |
| HN2 | N2 | C15 | C4 | 0.9° | 0.1° |
| HN2 | N2 | C16 | C18 | 44.1° | 95.0° |
| HN2 | N2 | C16 | C17 | 79.9° | 25.0° |
| HN2 | N2 | C16 | H16 | 164.0° | 145.0° |
| O2 | C15 | C4 | C3 | 153.4° | 0.1° |
| O2 | C15 | C4 | C5 | 26.0° | 180.0° |
| C3 | C4 | C15 | C5 | 179.3° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| H3 | C3 | C4 | C15 | 0.8° | 0.1° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| C25 | N3 | C29 | HN3 | 120.0° | 123.9° |
| N3 | C25 | C17 | O3 | 66.7° | 180.0° |
| N3 | C25 | C26 | N4 | 50.7° | 58.4° |
| N3 | C25 | C17 | C16 | 172.4° | 60.0° |
| N3 | C25 | C17 | C26 | 121.9° | 119.9° |
| N3 | C25 | C17 | H25 | 120.7° | 120.1° |
| N3 | C25 | C17 | H17 | 55.2° | 60.0° |
| N3 | C25 | C26 | H25 | 120.6° | 120.0° |
| N3 | C25 | C26 | H26 | 69.2° | 61.6° |
| N3 | C25 | C26 | H26A | 170.8° | 178.4° |
| C25 | N3 | C29 | C28 | 60.5° | 59.3° |
| C25 | N3 | C29 | H29 | 179.5° | 179.3° |
| C25 | N3 | C29 | H29A | 59.5° | 60.6° |
| N3 | C29 | C28 | N4 | 55.6° | 58.3° |
| C29 | N3 | C25 | C17 | 178.7° | 179.3° |
| C29 | N3 | C25 | C26 | 58.0° | 59.3° |
| C29 | N3 | C25 | H25 | 59.6° | 60.6° |
| N3 | C29 | C28 | H29 | 120.0° | 120.0° |
| N3 | C29 | C28 | H29A | 120.0° | 120.0° |
| N3 | C29 | C28 | H28 | 175.6° | 178.4° |
| N3 | C29 | C28 | H28A | 64.4° | 61.6° |
| N3 | C29 | H29 | H29A | 119.9° | 120.1° |
| HN3 | N3 | C25 | C17 | 61.3° | 55.5° |
| HN3 | N3 | C25 | C26 | 62.0° | 64.5° |
| HN3 | N3 | C25 | H25 | 179.6° | 175.5° |
| HN3 | N3 | C29 | C28 | 59.5° | 64.6° |
| HN3 | N3 | C29 | H29 | 60.5° | 55.4° |
| HN3 | N3 | C29 | H29A | 179.5° | 175.5° |
| O3 | C17 | C16 | C18 | 53.6° | 55.0° |
| O3 | C17 | C16 | C25 | 119.4° | 120.0° |
| O3 | C17 | C16 | H17 | 121.9° | 120.0° |
| O3 | C17 | C16 | H16 | 66.1° | 175.0° |
| O3 | C17 | C25 | H17 | 121.9° | 120.0° |
| O3 | C17 | C25 | C26 | 55.2° | 60.1° |
| O3 | C17 | C25 | H25 | 172.7° | 60.0° |
| HO3 | O3 | C17 | C16 | 180.0° | 60.0° |
| HO3 | O3 | C17 | C25 | 56.2° | 60.0° |
| HO3 | O3 | C17 | H17 | 62.7° | 180.0° |
| C15 | C4 | C5 | C6 | 179.6° | 180.0° |
| C15 | C4 | C5 | H5 | 0.4° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C14 | 180.0° | 179.8° |
| C26 | N4 | C30 | C28 | 127.0° | 123.8° |
| N4 | C26 | C25 | C17 | 171.2° | 178.4° |
| N4 | C26 | C25 | H26 | 120.0° | 120.0° |
| N4 | C26 | C25 | H26A | 120.0° | 120.0° |
| N4 | C26 | C25 | H25 | 69.8° | 61.5° |
| N4 | C26 | H26 | H26A | 118.4° | 120.1° |
| C26 | N4 | C28 | C29 | 49.3° | 59.3° |
| C26 | N4 | C28 | H28 | 169.3° | 179.3° |
| C26 | N4 | C28 | H28A | 70.7° | 60.7° |
| C26 | N4 | C30 | C31 | 70.6° | 170.2° |
| C26 | N4 | C30 | H30 | 169.5° | 50.2° |
| C26 | N4 | C30 | H30A | 49.5° | 69.9° |
| C30 | N4 | C26 | C25 | 173.5° | 176.8° |
| C30 | N4 | C26 | H26 | 53.5° | 63.2° |
| C30 | N4 | C26 | H26A | 66.5° | 56.9° |
| C30 | N4 | C28 | C29 | 175.2° | 176.8° |
| C30 | N4 | C28 | H28 | 64.8° | 56.8° |
| C30 | N4 | C28 | H28A | 55.2° | 63.2° |
| N4 | C30 | C31 | H30 | 120.0° | 120.0° |
| N4 | C30 | C31 | H30A | 120.0° | 120.0° |
| N4 | C30 | H30 | H30A | 117.2° | 120.0° |
| N4 | C30 | C31 | C36 | 85.3° | 90.3° |
| N4 | C30 | C31 | C32 | 94.6° | 90.0° |
| C28 | N4 | C26 | C25 | 46.7° | 59.3° |
| C28 | N4 | C26 | H26 | 73.3° | 60.7° |
| C28 | N4 | C26 | H26A | 166.7° | 179.2° |
| N4 | C28 | C29 | H28 | 120.0° | 120.0° |
| N4 | C28 | C29 | H28A | 120.0° | 119.9° |
| N4 | C28 | H28 | H28A | 118.6° | 120.0° |
| N4 | C28 | C29 | H29 | 175.6° | 178.4° |
| N4 | C28 | C29 | H29A | 64.4° | 61.6° |
| C28 | N4 | C30 | C31 | 56.4° | 66.0° |
| C28 | N4 | C30 | H30 | 63.6° | 174.0° |
| C28 | N4 | C30 | H30A | 176.4° | 54.0° |
| C5 | C6 | C14 | H14 | 89.9° | 90.3° |
| C5 | C6 | C14 | H14A | 30.1° | 29.7° |
| C5 | C6 | C14 | H14B | 150.1° | 149.7° |
| H5 | C5 | C6 | C14 | 0.0° | 0.3° |
| C6 | C14 | H14 | H14A | 120.0° | 120.0° |
| C6 | C14 | H14 | H14B | 120.0° | 120.0° |
| C6 | C14 | H14A | H14B | 120.0° | 120.0° |
| C12 | C8 | H8 | H8A | 119.4° | 120.0° |
| C8 | C12 | C13 | H12 | 120.0° | 120.0° |
| C8 | C12 | C13 | H12A | 120.0° | 120.0° |
| C8 | C12 | H12 | H12A | 117.8° | 120.0° |
| C8 | C12 | C13 | H13 | 180.0° | 60.0° |
| C8 | C12 | C13 | H13A | 60.0° | 60.1° |
| C8 | C12 | C13 | H13B | 60.0° | 180.0° |
| H8 | C8 | C12 | C13 | 173.0° | 60.0° |
| H8 | C8 | C12 | H12 | 53.0° | 180.0° |
| H8 | C8 | C12 | H12A | 67.0° | 60.0° |
| H8A | C8 | C12 | C13 | 67.0° | 60.0° |
| H8A | C8 | C12 | H12 | 173.0° | 60.0° |
| H8A | C8 | C12 | H12A | 53.0° | 180.0° |
| C10 | C9 | H9 | H9A | 119.2° | 120.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 118.6° | 120.0° |
| C9 | C10 | C11 | H11 | 180.0° | 60.0° |
| C9 | C10 | C11 | H11A | 60.0° | 180.0° |
| C9 | C10 | C11 | H11B | 60.0° | 60.0° |
| H9 | C9 | C10 | C11 | 175.2° | 66.2° |
| H9 | C9 | C10 | H10 | 55.2° | 173.8° |
| H9 | C9 | C10 | H10A | 64.8° | 53.8° |
| H9A | C9 | C10 | C11 | 64.8° | 53.7° |
| H9A | C9 | C10 | H10 | 175.2° | 66.3° |
| H9A | C9 | C10 | H10A | 55.2° | 173.8° |
| C11 | C10 | H10 | H10A | 118.6° | 120.0° |
| C10 | C11 | H11 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 60.0° | 60.0° |
| H10 | C10 | C11 | H11A | 180.0° | 60.0° |
| H10 | C10 | C11 | H11B | 60.0° | 180.0° |
| H10A | C10 | C11 | H11 | 60.0° | 180.0° |
| H10A | C10 | C11 | H11A | 60.0° | 60.0° |
| H10A | C10 | C11 | H11B | 180.0° | 60.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| C13 | C12 | H12 | H12A | 117.8° | 120.0° |
| C12 | C13 | H13 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 60.0° | 180.0° |
| H12 | C12 | C13 | H13A | 180.0° | 60.0° |
| H12 | C12 | C13 | H13B | 60.0° | 60.0° |
| H12A | C12 | C13 | H13 | 60.0° | 60.0° |
| H12A | C12 | C13 | H13A | 60.0° | 180.0° |
| H12A | C12 | C13 | H13B | 180.0° | 60.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| C18 | C16 | C17 | H16 | 119.7° | 120.0° |
| C18 | C16 | C17 | C25 | 173.0° | 65.0° |
| C18 | C16 | C17 | H17 | 68.3° | 175.0° |
| C16 | C18 | C19 | H18 | 120.0° | 120.0° |
| C16 | C18 | C19 | H18A | 120.0° | 120.0° |
| C16 | C18 | H18 | H18A | 118.5° | 120.0° |
| C16 | C18 | C19 | C24 | 56.1° | 90.3° |
| C16 | C18 | C19 | C20 | 123.9° | 90.0° |
| C16 | C17 | C25 | H17 | 117.2° | 120.0° |
| C17 | C16 | C18 | C19 | 170.9° | 175.0° |
| C17 | C16 | C18 | H18 | 50.9° | 65.0° |
| C17 | C16 | C18 | H18A | 69.2° | 55.0° |
| C16 | C17 | C25 | C26 | 65.7° | 179.9° |
| C16 | C17 | C25 | H25 | 51.8° | 60.1° |
| H16 | C16 | C17 | C25 | 53.3° | 55.0° |
| H16 | C16 | C17 | H17 | 172.1° | 65.0° |
| H16 | C16 | C18 | C19 | 72.9° | 54.9° |
| H16 | C16 | C18 | H18 | 167.0° | 175.0° |
| H16 | C16 | C18 | H18A | 47.0° | 65.0° |
| C17 | C25 | C26 | H25 | 119.0° | 120.1° |
| C17 | C25 | C26 | H26 | 51.2° | 58.4° |
| C17 | C25 | C26 | H26A | 68.8° | 61.6° |
| H17 | C17 | C25 | C26 | 177.1° | 59.9° |
| H17 | C17 | C25 | H25 | 65.4° | 179.9° |
| C19 | C18 | H18 | H18A | 118.5° | 120.0° |
| C18 | C19 | C24 | C20 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 0.0° | 0.1° |
| C18 | C19 | C24 | C23 | 180.0° | 179.7° |
| C18 | C19 | C24 | H24 | 0.0° | 0.1° |
| H18 | C18 | C19 | C24 | 176.1° | 149.7° |
| H18 | C18 | C19 | C20 | 3.9° | 30.0° |
| H18A | C18 | C19 | C24 | 63.9° | 29.7° |
| H18A | C18 | C19 | C20 | 116.1° | 150.0° |
| C24 | C19 | C20 | C21 | 0.1° | 0.3° |
| C24 | C19 | C20 | H20 | 180.0° | 179.7° |
| C19 | C24 | C23 | C22 | 0.1° | 0.6° |
| C19 | C24 | C23 | H24 | 180.0° | 179.6° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C19 | C24 | C23 | 0.1° | 0.6° |
| C20 | C19 | C24 | H24 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H20 | C20 | C21 | C22 | 179.9° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C23 | C24 | H24 | 179.9° | 179.8° |
| H22 | C22 | C23 | C24 | 179.9° | 179.8° |
| C25 | C26 | H26 | H26A | 118.3° | 120.0° |
| H25 | C25 | C26 | H26 | 170.2° | 178.4° |
| H25 | C25 | C26 | H26A | 50.2° | 58.4° |
| C29 | C28 | H28 | H28A | 118.6° | 120.0° |
| C28 | C29 | H29 | H29A | 120.0° | 120.0° |
| H28 | C28 | C29 | H29 | 64.4° | 61.6° |
| H28 | C28 | C29 | H29A | 55.6° | 58.4° |
| H28A | C28 | C29 | H29 | 55.6° | 58.4° |
| H28A | C28 | C29 | H29A | 175.6° | 178.4° |
| C31 | C30 | H30 | H30A | 117.2° | 120.0° |
| C30 | C31 | C36 | C32 | 179.9° | 179.7° |
| C30 | C31 | C32 | C33 | 179.7° | 180.0° |
| C30 | C31 | C32 | H32 | 0.3° | 0.0° |
| C30 | C31 | C36 | C35 | 179.7° | 179.7° |
| C30 | C31 | C36 | H36 | 0.3° | 0.3° |
| H30 | C30 | C31 | C36 | 154.7° | 149.7° |
| H30 | C30 | C31 | C32 | 25.4° | 30.0° |
| H30A | C30 | C31 | C36 | 34.7° | 29.7° |
| H30A | C30 | C31 | C32 | 145.4° | 150.0° |
| C36 | C31 | C32 | C33 | 0.2° | 0.3° |
| C36 | C31 | C32 | H32 | 179.8° | 179.7° |
| C31 | C36 | C35 | C34 | 0.2° | 0.6° |
| C31 | C36 | C35 | H36 | 180.0° | 179.4° |
| C31 | C36 | C35 | H35 | 179.8° | 179.7° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.2° | NaN° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C31 | C36 | C35 | 0.2° | 0.6° |
| C32 | C31 | C36 | H36 | 179.8° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 179.8° | 179.9° |
| H32 | C32 | C33 | C34 | 179.8° | 180.0° |
| H32 | C32 | C33 | H33 | 0.2° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.4° |
| C33 | C34 | C35 | H35 | 179.8° | 180.0° |
| H33 | C33 | C34 | C35 | 179.9° | 180.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.7° |
| C34 | C35 | C36 | H36 | 179.8° | 180.0° |
| H34 | C34 | C35 | C36 | 179.8° | 179.8° |
| H34 | C34 | C35 | H35 | 0.2° | 0.1° |
| H35 | C35 | C36 | H36 | 0.2° | 0.3° |
