Z76
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| F1 | C21 | sing | 1.35Å | 1.33Å | |
| C9 | N1 | sing | 1.47Å | 1.46Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C7 | sing | 1.35Å | 1.37Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| O7 | S1 | doub | 1.42Å | 1.43Å | |
| C40 | S1 | sing | 1.76Å | 1.77Å | |
| S1 | N4 | sing | 1.66Å | 1.76Å | |
| S1 | O6 | doub | 1.42Å | 1.43Å | |
| C7 | C2 | sing | 1.48Å | 1.48Å | |
| C3 | C2 | sing | 1.39Å | 1.43Å | Aromatic |
| F2 | C23 | sing | 1.35Å | 1.33Å | |
| C16 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C15 | sing | 1.35Å | 1.35Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | C15 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C29 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C28 | sing | 1.47Å | 1.47Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| O3 | C17 | sing | 1.43Å | 1.44Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C15 | C4 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C25 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C27 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | O5 | sing | 1.43Å | 1.42Å | |
| O5 | C34 | sing | 1.43Å | 1.42Å | |
| C6 | C14 | sing | 1.51Å | 1.47Å | |
| C11 | C8 | sing | 1.54Å | 1.54Å | |
| C12 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.55Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.55Å | 1.53Å | |
| 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 | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | 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 | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C29 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C24 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C29 | sing | 1.53Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | C38 | sing | 1.51Å | 1.47Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C40 | C35 | doub | 1.38Å | 1.43Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.42Å | Aromatic |
| C39 | H39 | 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° | 119.9° |
| C1 | C2 | C7 | 120.4° | 120.1° |
| C1 | C2 | C3 | 119.4° | 119.9° |
| C6 | C1 | H1 | 120.0° | 119.9° |
| C1 | C6 | C5 | 120.2° | 120.3° |
| C1 | C6 | C14 | 119.9° | 119.9° |
| F1 | C21 | C20 | 120.1° | 120.0° |
| F1 | C21 | C22 | 119.7° | 120.0° |
| C9 | N1 | C8 | 113.3° | 108.7° |
| C9 | N1 | C7 | 127.4° | 125.7° |
| N1 | C9 | C10 | 106.0° | 104.8° |
| N1 | C9 | H9 | 110.6° | 110.3° |
| N1 | C9 | H9A | 110.7° | 110.4° |
| C8 | N1 | C7 | 119.3° | 125.6° |
| N1 | C8 | C11 | 100.2° | 107.3° |
| N1 | C8 | C12 | 105.8° | 109.9° |
| N1 | C8 | H8 | 118.2° | 109.9° |
| N1 | C7 | O1 | 120.8° | 120.0° |
| N1 | C7 | C2 | 116.4° | 120.0° |
| O1 | C7 | C2 | 122.8° | 120.0° |
| O7 | S1 | C40 | 110.0° | 106.4° |
| O7 | S1 | N4 | 105.4° | 106.4° |
| O7 | S1 | O6 | 120.2° | 123.2° |
| C40 | S1 | N4 | 104.9° | 107.2° |
| C40 | S1 | O6 | 109.6° | 106.4° |
| S1 | C40 | C35 | 119.8° | 120.0° |
| S1 | C40 | C39 | 120.2° | 120.0° |
| N4 | S1 | O6 | 105.5° | 106.4° |
| S1 | N4 | C25 | 116.3° | 120.9° |
| S1 | N4 | C27 | 116.5° | 120.9° |
| C7 | C2 | C3 | 120.2° | 120.1° |
| C2 | C3 | C4 | 120.7° | 119.7° |
| C2 | C3 | H3 | 119.6° | 120.1° |
| F2 | C23 | C22 | 119.7° | 120.0° |
| F2 | C23 | C24 | 120.2° | 120.0° |
| C16 | N2 | C15 | 118.0° | 120.0° |
| C16 | N2 | HN2 | 121.0° | 120.0° |
| N2 | C16 | C18 | 109.4° | 109.4° |
| N2 | C16 | C17 | 110.9° | 109.5° |
| N2 | C16 | H16 | 108.5° | 109.4° |
| C15 | N2 | HN2 | 121.0° | 120.0° |
| N2 | C15 | O2 | 122.2° | 120.0° |
| N2 | C15 | C4 | 114.3° | 120.0° |
| O2 | C15 | C4 | 123.5° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.2° |
| C3 | C4 | C15 | 119.6° | 120.0° |
| C3 | C4 | C5 | 119.7° | 119.9° |
| C29 | N3 | C28 | 109.0° | 111.3° |
| C29 | N3 | HN3 | 109.7° | 111.0° |
| N3 | C29 | C17 | 106.9° | 109.6° |
| N3 | C29 | C25 | 110.2° | 109.3° |
| N3 | C29 | H29 | 111.2° | 109.5° |
| C28 | N3 | HN3 | 109.6° | 111.0° |
| N3 | C28 | C27 | 109.4° | 109.3° |
| N3 | C28 | H28 | 109.5° | 109.5° |
| N3 | C28 | H28A | 109.5° | 109.5° |
| C17 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C17 | C16 | 108.9° | 109.5° |
| O3 | C17 | C29 | 108.8° | 109.5° |
| O3 | C17 | H17 | 111.3° | 109.5° |
| C15 | C4 | C5 | 120.7° | 120.1° |
| C4 | C5 | C6 | 119.9° | 120.1° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C25 | N4 | C27 | 109.3° | 118.2° |
| N4 | C25 | C29 | 112.6° | 108.6° |
| N4 | C25 | H25 | 108.4° | 109.7° |
| N4 | C25 | H25A | 108.4° | 109.6° |
| N4 | C27 | C28 | 111.4° | 108.6° |
| N4 | C27 | H27 | 108.8° | 109.6° |
| N4 | C27 | H27A | 108.8° | 109.6° |
| C6 | C5 | H5 | 120.0° | 119.9° |
| C5 | C6 | C14 | 119.9° | 119.9° |
| C12 | O5 | C34 | 111.2° | 114.0° |
| O5 | C12 | C8 | 110.3° | 109.4° |
| O5 | C12 | H12 | 109.2° | 109.4° |
| O5 | C12 | H12A | 109.2° | 109.4° |
| O5 | C34 | H34 | 109.5° | 109.5° |
| O5 | C34 | H34A | 109.5° | 109.4° |
| O5 | C34 | H34B | 109.5° | 109.5° |
| C6 | C14 | H14 | 109.5° | 109.5° |
| C6 | C14 | H14A | 109.5° | 109.5° |
| C6 | C14 | H14B | 109.5° | 109.5° |
| C11 | C8 | C12 | 111.6° | 110.0° |
| C11 | C8 | H8 | 112.9° | 109.9° |
| C8 | C11 | C10 | 110.2° | 102.9° |
| C8 | C11 | H11 | 109.2° | 110.7° |
| C8 | C11 | H11A | 109.2° | 110.7° |
| C12 | C8 | H8 | 107.9° | 109.8° |
| C8 | C12 | H12 | 109.2° | 109.5° |
| C8 | C12 | H12A | 109.2° | 109.5° |
| C10 | C9 | H9 | 110.7° | 110.4° |
| C10 | C9 | H9A | 110.6° | 110.5° |
| C9 | C10 | C11 | 104.4° | 101.5° |
| C9 | C10 | H10 | 111.2° | 111.0° |
| C9 | C10 | H10A | 111.2° | 111.0° |
| H9 | C9 | H9A | 108.3° | 110.3° |
| C11 | C10 | H10 | 111.2° | 110.9° |
| C11 | C10 | H10A | 111.2° | 111.1° |
| C10 | C11 | H11 | 109.2° | 110.7° |
| C10 | C11 | H11A | 109.2° | 110.7° |
| H10 | C10 | H10A | 107.7° | 111.0° |
| H11 | C11 | H11A | 109.7° | 110.8° |
| H12 | C12 | H12A | 109.8° | 109.6° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| C18 | C16 | C17 | 109.2° | 109.5° |
| C18 | C16 | H16 | 110.2° | 109.5° |
| C16 | C18 | C19 | 111.5° | 109.5° |
| C16 | C18 | H18 | 108.8° | 109.4° |
| C16 | C18 | H18A | 108.8° | 109.4° |
| C17 | C16 | H16 | 108.7° | 109.5° |
| C16 | C17 | C29 | 112.4° | 109.4° |
| C16 | C17 | H17 | 107.7° | 109.4° |
| C29 | C17 | H17 | 107.8° | 109.5° |
| C17 | C29 | C25 | 110.9° | 109.5° |
| C17 | C29 | H29 | 110.5° | 109.5° |
| C19 | C18 | H18 | 108.8° | 109.5° |
| C19 | C18 | H18A | 108.8° | 109.4° |
| C18 | C19 | C24 | 120.5° | 120.0° |
| C18 | C19 | C20 | 119.7° | 120.0° |
| H18 | C18 | H18A | 110.1° | 109.6° |
| C24 | C19 | C20 | 119.7° | 120.0° |
| C19 | C24 | C23 | 119.9° | 120.0° |
| C19 | C24 | H24 | 120.0° | 119.9° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C21 | C22 | C23 | 119.9° | 119.9° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| C22 | C23 | C24 | 120.2° | 120.0° |
| C23 | C24 | H24 | 120.0° | 120.0° |
| C29 | C25 | H25 | 108.4° | 109.6° |
| C29 | C25 | H25A | 108.4° | 109.7° |
| C25 | C29 | H29 | 107.2° | 109.5° |
| H25 | C25 | H25A | 110.5° | 109.7° |
| C28 | C27 | H27 | 108.8° | 109.6° |
| C28 | C27 | H27A | 108.8° | 109.7° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H28A | 109.5° | 109.5° |
| H27 | C27 | H27A | 110.1° | 109.7° |
| H28 | C28 | H28A | 109.4° | 109.5° |
| C38 | C32 | H32 | 109.5° | 109.5° |
| C38 | C32 | H32A | 109.5° | 109.5° |
| C38 | C32 | H32B | 109.5° | 109.4° |
| C32 | C38 | C37 | 119.9° | 120.1° |
| C32 | C38 | C39 | 120.0° | 120.0° |
| H32 | C32 | H32A | 109.4° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.5° | 109.4° |
| H34 | C34 | H34A | 109.4° | 109.4° |
| H34 | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| C40 | C35 | C36 | 120.1° | 120.0° |
| C40 | C35 | H35 | 119.9° | 120.1° |
| C35 | C40 | C39 | 120.0° | 120.1° |
| C36 | C35 | H35 | 120.0° | 119.9° |
| C35 | C36 | C37 | 119.9° | 119.9° |
| C35 | C36 | H36 | 120.1° | 120.1° |
| C37 | C36 | H36 | 120.0° | 120.0° |
| C36 | C37 | C38 | 120.1° | 120.1° |
| C36 | C37 | H37 | 120.0° | 120.0° |
| C38 | C37 | H37 | 119.9° | 120.0° |
| C37 | C38 | C39 | 120.1° | 120.0° |
| C38 | C39 | C40 | 119.9° | 120.0° |
| C38 | C39 | H39 | 120.1° | 120.0° |
| C40 | C39 | H39 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C7 | N1 | 121.6° | 152.5° |
| C1 | C2 | C7 | O1 | 58.8° | 27.5° |
| C1 | C2 | C7 | C3 | 179.2° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C2 | C1 | C6 | C14 | 179.8° | 179.7° |
| C6 | C1 | C2 | C7 | 179.6° | 179.9° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | C14 | 180.0° | 179.6° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | C14 | H14 | 90.0° | 90.1° |
| C1 | C6 | C14 | H14A | 150.0° | 149.9° |
| C1 | C6 | C14 | H14B | 30.0° | 29.9° |
| H1 | C1 | C2 | C7 | 0.4° | 0.3° |
| H1 | C1 | C2 | C3 | 179.6° | 179.8° |
| H1 | C1 | C6 | C5 | 179.8° | 179.7° |
| H1 | C1 | C6 | C14 | 0.1° | 0.1° |
| F1 | C21 | C20 | C19 | 180.0° | 180.0° |
| F1 | C21 | C20 | C22 | 180.0° | 179.9° |
| F1 | C21 | C20 | H20 | 0.0° | 0.1° |
| F1 | C21 | C22 | C23 | 179.9° | 180.0° |
| F1 | C21 | C22 | H22 | 0.1° | 0.1° |
| C9 | N1 | C8 | C7 | 179.3° | 179.8° |
| C9 | N1 | C7 | O1 | 179.5° | 176.1° |
| C9 | N1 | C7 | C2 | 0.9° | 3.9° |
| C9 | N1 | C8 | C11 | 25.1° | 1.2° |
| C9 | N1 | C8 | C12 | 90.9° | 118.3° |
| C9 | N1 | C8 | H8 | 148.1° | 120.7° |
| N1 | C9 | C10 | H9 | 120.0° | 118.8° |
| N1 | C9 | C10 | H9A | 120.0° | 118.9° |
| N1 | C9 | H9 | H9A | 121.4° | 122.2° |
| N1 | C9 | C10 | C11 | 8.4° | 37.1° |
| N1 | C9 | C10 | H10 | 128.4° | 155.0° |
| N1 | C9 | C10 | H10A | 111.6° | 81.1° |
| C8 | N1 | C7 | O1 | 0.3° | 3.6° |
| C8 | N1 | C7 | C2 | 179.9° | 176.4° |
| N1 | C8 | C12 | O5 | 48.4° | 65.0° |
| N1 | C8 | C11 | C12 | 111.6° | 119.5° |
| N1 | C8 | C11 | H8 | 126.6° | 119.5° |
| N1 | C8 | C12 | H8 | 127.4° | 121.0° |
| C8 | N1 | C9 | C10 | 22.3° | 24.3° |
| C8 | N1 | C9 | H9 | 97.7° | 94.5° |
| C8 | N1 | C9 | H9A | 142.2° | 143.3° |
| N1 | C8 | C11 | C10 | 18.6° | 22.1° |
| N1 | C8 | C11 | H11 | 101.4° | 140.4° |
| N1 | C8 | C11 | H11A | 138.6° | 96.3° |
| N1 | C8 | C12 | H12 | 168.4° | 54.9° |
| N1 | C8 | C12 | H12A | 71.6° | 175.1° |
| N1 | C7 | O1 | C2 | 179.6° | 180.0° |
| N1 | C7 | C2 | C3 | 59.2° | 27.4° |
| C7 | N1 | C8 | C11 | 154.2° | 179.0° |
| C7 | N1 | C8 | C12 | 89.8° | 61.5° |
| C7 | N1 | C8 | H8 | 31.1° | 59.5° |
| C7 | N1 | C9 | C10 | 156.9° | 155.9° |
| C7 | N1 | C9 | H9 | 83.1° | 85.3° |
| C7 | N1 | C9 | H9A | 37.0° | 36.9° |
| O1 | C7 | C2 | C3 | 120.4° | 152.6° |
| O7 | S1 | C40 | N4 | 112.9° | 113.5° |
| O7 | S1 | C40 | O6 | 134.2° | 133.0° |
| O7 | S1 | N4 | O6 | 128.1° | 133.0° |
| O7 | S1 | N4 | C25 | 50.0° | 156.5° |
| O7 | S1 | N4 | C27 | 178.9° | 23.5° |
| O7 | S1 | C40 | C35 | 163.8° | 23.0° |
| O7 | S1 | C40 | C39 | 16.6° | 156.5° |
| C40 | S1 | N4 | O6 | 115.8° | 113.5° |
| C40 | S1 | N4 | C25 | 66.1° | 90.0° |
| C40 | S1 | N4 | C27 | 65.0° | 90.0° |
| S1 | C40 | C35 | C39 | 179.6° | 179.5° |
| S1 | C40 | C35 | C36 | 179.6° | 180.0° |
| S1 | C40 | C35 | H35 | 0.4° | 0.2° |
| S1 | C40 | C39 | C38 | 179.7° | 180.0° |
| S1 | C40 | C39 | H39 | 0.3° | 0.3° |
| S1 | N4 | C25 | C27 | 134.4° | 179.9° |
| S1 | N4 | C25 | C29 | 173.1° | 128.8° |
| S1 | N4 | C25 | H25 | 66.9° | 111.5° |
| S1 | N4 | C25 | H25A | 53.1° | 9.0° |
| S1 | N4 | C27 | C28 | 170.2° | 128.8° |
| S1 | N4 | C27 | H27 | 50.2° | 9.1° |
| S1 | N4 | C27 | H27A | 69.8° | 111.5° |
| N4 | S1 | C40 | C35 | 83.3° | 90.5° |
| N4 | S1 | C40 | C39 | 96.3° | 90.0° |
| O6 | S1 | N4 | C25 | 178.1° | 23.5° |
| O6 | S1 | N4 | C27 | 50.8° | 156.5° |
| O6 | S1 | C40 | C35 | 29.6° | 156.0° |
| O6 | S1 | C40 | C39 | 150.8° | 23.5° |
| C7 | C2 | C3 | C4 | 179.6° | 180.0° |
| C7 | C2 | C3 | H3 | 0.4° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C15 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| F2 | C23 | C24 | C19 | 179.9° | 179.7° |
| F2 | C23 | C22 | C21 | 179.9° | 180.0° |
| F2 | C23 | C22 | C24 | 180.0° | 179.8° |
| F2 | C23 | C22 | H22 | 0.1° | 0.0° |
| F2 | C23 | C24 | H24 | 0.1° | 0.1° |
| C16 | N2 | C15 | HN2 | 180.0° | 180.0° |
| C16 | N2 | C15 | O2 | 0.3° | 0.0° |
| N2 | C16 | C17 | O3 | 171.7° | 65.0° |
| C16 | N2 | C15 | C4 | 179.5° | 180.0° |
| N2 | C16 | C18 | C17 | 121.5° | 120.0° |
| N2 | C16 | C18 | H16 | 119.2° | 120.0° |
| N2 | C16 | C17 | H16 | 119.2° | 120.0° |
| N2 | C16 | C17 | C29 | 67.6° | 175.0° |
| N2 | C16 | C17 | H17 | 51.0° | 55.0° |
| N2 | C16 | C18 | C19 | 52.7° | 65.0° |
| N2 | C16 | C18 | H18 | 67.3° | 55.0° |
| N2 | C16 | C18 | H18A | 172.7° | 175.0° |
| N2 | C15 | O2 | C4 | 179.7° | 179.9° |
| N2 | C15 | C4 | C3 | 31.3° | 180.0° |
| N2 | C15 | C4 | C5 | 149.1° | 0.0° |
| C15 | N2 | C16 | C18 | 132.0° | 85.0° |
| C15 | N2 | C16 | C17 | 107.5° | 155.0° |
| C15 | N2 | C16 | H16 | 11.8° | 35.0° |
| HN2 | N2 | C15 | O2 | 179.7° | 180.0° |
| HN2 | N2 | C15 | C4 | 0.5° | 0.0° |
| HN2 | N2 | C16 | C18 | 48.0° | 95.0° |
| HN2 | N2 | C16 | C17 | 72.5° | 25.0° |
| HN2 | N2 | C16 | H16 | 168.2° | 145.0° |
| O2 | C15 | C4 | C3 | 148.5° | 0.0° |
| O2 | C15 | C4 | C5 | 31.2° | 180.0° |
| C3 | C4 | C15 | C5 | 179.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| H3 | C3 | C4 | C15 | 0.5° | 0.0° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| C29 | N3 | C28 | HN3 | 120.0° | 124.1° |
| N3 | C29 | C17 | O3 | 68.1° | 179.9° |
| N3 | C29 | C25 | N4 | 55.3° | 53.8° |
| N3 | C29 | C17 | C16 | 171.2° | 60.1° |
| N3 | C29 | C17 | C25 | 120.1° | 119.9° |
| N3 | C29 | C17 | H29 | 121.1° | 120.0° |
| N3 | C29 | C17 | H17 | 52.7° | 59.9° |
| N3 | C29 | C25 | H29 | 121.2° | 119.9° |
| N3 | C29 | C25 | H25 | 64.7° | 66.0° |
| N3 | C29 | C25 | H25A | 175.3° | 173.6° |
| C29 | N3 | C28 | C27 | 62.4° | 63.1° |
| C29 | N3 | C28 | H28 | 177.6° | 177.0° |
| C29 | N3 | C28 | H28A | 57.6° | 56.9° |
| N3 | C28 | C27 | N4 | 61.4° | 53.8° |
| C28 | N3 | C29 | C17 | 179.8° | 176.9° |
| C28 | N3 | C29 | C25 | 59.2° | 63.1° |
| N3 | C28 | C27 | H28 | 120.0° | 119.9° |
| N3 | C28 | C27 | H28A | 120.0° | 119.9° |
| N3 | C28 | C27 | H27 | 178.5° | 173.6° |
| N3 | C28 | C27 | H27A | 58.6° | 65.9° |
| N3 | C28 | H28 | H28A | 120.0° | 120.1° |
| C28 | N3 | C29 | H29 | 59.5° | 56.9° |
| HN3 | N3 | C29 | C17 | 59.8° | 58.9° |
| HN3 | N3 | C29 | C25 | 60.8° | 61.1° |
| HN3 | N3 | C28 | C27 | 57.6° | 61.0° |
| HN3 | N3 | C28 | H28 | 62.4° | 58.9° |
| HN3 | N3 | C28 | H28A | 177.6° | 179.0° |
| HN3 | N3 | C29 | H29 | 179.5° | 179.0° |
| O3 | C17 | C16 | C18 | 51.1° | 55.0° |
| O3 | C17 | C16 | C29 | 120.7° | 120.0° |
| O3 | C17 | C16 | H17 | 120.8° | 120.0° |
| O3 | C17 | C16 | H16 | 69.1° | 175.0° |
| O3 | C17 | C29 | H17 | 120.8° | 120.0° |
| O3 | C17 | C29 | C25 | 52.1° | 60.0° |
| O3 | C17 | C29 | H29 | 170.8° | 60.1° |
| HO3 | O3 | C17 | C16 | 180.0° | 60.0° |
| HO3 | O3 | C17 | C29 | 57.2° | 60.0° |
| HO3 | O3 | C17 | H17 | 61.4° | 180.0° |
| C15 | C4 | C5 | C6 | 179.7° | 179.9° |
| C15 | C4 | C5 | H5 | 0.3° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C14 | 179.9° | 179.7° |
| N4 | C25 | C29 | C17 | 173.4° | 173.8° |
| N4 | C25 | C29 | H25 | 120.0° | 119.7° |
| N4 | C25 | C29 | H25A | 120.0° | 119.8° |
| N4 | C25 | H25 | H25A | 118.7° | 120.5° |
| C25 | N4 | C27 | C28 | 55.5° | 51.2° |
| C25 | N4 | C27 | H27 | 175.4° | 170.9° |
| C25 | N4 | C27 | H27A | 64.6° | 68.6° |
| N4 | C25 | C29 | H29 | 65.9° | 66.1° |
| C27 | N4 | C25 | C29 | 52.5° | 51.1° |
| C27 | N4 | C25 | H25 | 67.5° | 68.6° |
| C27 | N4 | C25 | H25A | 172.5° | 170.9° |
| N4 | C27 | C28 | H27 | 120.0° | 119.7° |
| N4 | C27 | C28 | H27A | 120.0° | 119.7° |
| N4 | C27 | H27 | H27A | 119.2° | 120.4° |
| N4 | C27 | C28 | H28 | 178.6° | 173.8° |
| N4 | C27 | C28 | H28A | 58.6° | 66.1° |
| C5 | C6 | C14 | H14 | 90.0° | 90.3° |
| C5 | C6 | C14 | H14A | 30.0° | 29.7° |
| C5 | C6 | C14 | H14B | 150.0° | 149.7° |
| H5 | C5 | C6 | C14 | 0.1° | 0.4° |
| O5 | C12 | C8 | C11 | 156.5° | 52.9° |
| O5 | C12 | C8 | H12 | 120.0° | 120.0° |
| O5 | C12 | C8 | H12A | 120.0° | 119.9° |
| O5 | C12 | C8 | H8 | 78.9° | 174.0° |
| O5 | C12 | H12 | H12A | 119.6° | 120.0° |
| C12 | O5 | C34 | H34 | 180.0° | 180.0° |
| C12 | O5 | C34 | H34A | 60.0° | 60.1° |
| C12 | O5 | C34 | H34B | 60.0° | 60.0° |
| C34 | O5 | C12 | C8 | 164.1° | 179.9° |
| C34 | O5 | C12 | H12 | 44.1° | 60.0° |
| C34 | O5 | C12 | H12A | 75.9° | 60.1° |
| O5 | C34 | H34 | H34A | 120.0° | 120.0° |
| O5 | C34 | H34 | H34B | 120.0° | 120.0° |
| O5 | C34 | H34A | H34B | 120.0° | 120.0° |
| C6 | C14 | H14 | H14A | 120.0° | 120.0° |
| C6 | C14 | H14 | H14B | 120.0° | 120.0° |
| C6 | C14 | H14A | H14B | 120.0° | 120.0° |
| C11 | C8 | C12 | H8 | 124.6° | 121.1° |
| C8 | C11 | C10 | C9 | 6.7° | 35.5° |
| C8 | C11 | C10 | H11 | 120.0° | 118.4° |
| C8 | C11 | C10 | H11A | 120.0° | 118.3° |
| C8 | C11 | C10 | H10 | 113.3° | 153.5° |
| C8 | C11 | C10 | H10A | 126.7° | 82.6° |
| C8 | C11 | H11 | H11A | 119.7° | 123.2° |
| C11 | C8 | C12 | H12 | 83.5° | 172.8° |
| C11 | C8 | C12 | H12A | 36.5° | 67.1° |
| C12 | C8 | C11 | C10 | 93.0° | 141.6° |
| C12 | C8 | C11 | H11 | 147.0° | 100.1° |
| C12 | C8 | C11 | H11A | 27.0° | 23.2° |
| C8 | C12 | H12 | H12A | 119.6° | 120.1° |
| H8 | C8 | C11 | C10 | 145.2° | 97.4° |
| H8 | C8 | C11 | H11 | 25.2° | 20.9° |
| H8 | C8 | C11 | H11A | 94.8° | 144.2° |
| H8 | C8 | C12 | H12 | 41.1° | 66.1° |
| H8 | C8 | C12 | H12A | 161.1° | 54.0° |
| C10 | C9 | H9 | H9A | 121.4° | 122.4° |
| C9 | C10 | C11 | H10 | 120.0° | 118.0° |
| C9 | C10 | C11 | H10A | 120.0° | 118.1° |
| C9 | C10 | H10 | H10A | 122.1° | 123.9° |
| C9 | C10 | C11 | H11 | 113.3° | 153.9° |
| C9 | C10 | C11 | H11A | 126.7° | 82.8° |
| H9 | C9 | C10 | C11 | 111.6° | 81.7° |
| H9 | C9 | C10 | H10 | 8.4° | 36.2° |
| H9 | C9 | C10 | H10A | 128.4° | 160.1° |
| H9A | C9 | C10 | C11 | 128.4° | 156.0° |
| H9A | C9 | C10 | H10 | 111.6° | 86.1° |
| H9A | C9 | C10 | H10A | 8.4° | 37.8° |
| C11 | C10 | H10 | H10A | 122.0° | 124.0° |
| C10 | C11 | H11 | H11A | 119.7° | 123.3° |
| H10 | C10 | C11 | H11 | 126.7° | 88.2° |
| H10 | C10 | C11 | H11A | 6.7° | 35.1° |
| H10A | C10 | C11 | H11 | 6.7° | 35.8° |
| H10A | C10 | C11 | H11A | 113.3° | 159.1° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| C18 | C16 | C17 | H16 | 120.2° | 120.1° |
| C18 | C16 | C17 | C29 | 171.8° | 65.1° |
| C18 | C16 | C17 | H17 | 69.7° | 175.0° |
| C16 | C18 | C19 | H18 | 120.0° | 120.0° |
| C16 | C18 | C19 | H18A | 120.0° | 119.9° |
| C16 | C18 | H18 | H18A | 119.2° | 120.0° |
| C16 | C18 | C19 | C24 | 59.8° | 90.2° |
| C16 | C18 | C19 | C20 | 120.4° | 90.0° |
| C16 | C17 | C29 | H17 | 118.5° | 119.9° |
| C17 | C16 | C18 | C19 | 174.2° | 175.0° |
| C17 | C16 | C18 | H18 | 54.2° | 65.0° |
| C17 | C16 | C18 | H18A | 65.8° | 55.1° |
| C16 | C17 | C29 | C25 | 68.7° | 180.0° |
| C16 | C17 | C29 | H29 | 50.0° | 60.0° |
| H16 | C16 | C17 | C29 | 51.6° | 55.0° |
| H16 | C16 | C17 | H17 | 170.1° | 65.0° |
| H16 | C16 | C18 | C19 | 66.5° | 54.9° |
| H16 | C16 | C18 | H18 | 173.5° | 174.9° |
| H16 | C16 | C18 | H18A | 53.5° | 65.0° |
| C17 | C29 | C25 | H29 | 120.7° | 120.0° |
| C17 | C29 | C25 | H25 | 53.4° | 54.1° |
| C17 | C29 | C25 | H25A | 66.6° | 66.4° |
| H17 | C17 | C29 | C25 | 172.8° | 60.1° |
| H17 | C17 | C29 | H29 | 68.5° | 179.9° |
| C19 | C18 | H18 | H18A | 119.2° | 120.0° |
| C18 | C19 | C24 | C20 | 179.8° | 179.8° |
| C18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 0.1° | 0.1° |
| C18 | C19 | C24 | C23 | 179.9° | 179.7° |
| C18 | C19 | C24 | H24 | 0.0° | 0.1° |
| H18 | C18 | C19 | C24 | 179.8° | 149.8° |
| H18 | C18 | C19 | C20 | 0.4° | 30.0° |
| H18A | C18 | C19 | C24 | 60.2° | 29.7° |
| H18A | C18 | C19 | C20 | 119.6° | 150.1° |
| C24 | C19 | C20 | C21 | 0.1° | 0.3° |
| C24 | C19 | C20 | H20 | 179.9° | 179.8° |
| C19 | C24 | C23 | C22 | 0.2° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.8° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.5° |
| C20 | C19 | C24 | H24 | 179.9° | 179.7° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H20 | C20 | C21 | C22 | 180.0° | 179.9° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C23 | C24 | H24 | 179.8° | 179.7° |
| H22 | C22 | C23 | C24 | 179.9° | 179.8° |
| C29 | C25 | H25 | H25A | 118.7° | 120.4° |
| H25 | C25 | C29 | H29 | 174.2° | 174.1° |
| H25A | C25 | C29 | H29 | 54.1° | 53.6° |
| C28 | C27 | H27 | H27A | 119.2° | 120.5° |
| C27 | C28 | H28 | H28A | 120.0° | 120.1° |
| H27 | C27 | C28 | H28 | 58.5° | 66.5° |
| H27 | C27 | C28 | H28A | 61.4° | 53.6° |
| H27A | C27 | C28 | H28 | 61.4° | 54.1° |
| H27A | C27 | C28 | H28A | 178.6° | 174.2° |
| C38 | C32 | H32 | H32A | 120.0° | 120.1° |
| C38 | C32 | H32 | H32B | 120.0° | 120.0° |
| C38 | C32 | H32A | H32B | 120.0° | 120.0° |
| C32 | C38 | C37 | C36 | 180.0° | 180.0° |
| C32 | C38 | C37 | C39 | 180.0° | 179.9° |
| C32 | C38 | C37 | H37 | 0.0° | 0.1° |
| C32 | C38 | C39 | C40 | 180.0° | 179.8° |
| C32 | C38 | C39 | H39 | 0.0° | 0.0° |
| H32 | C32 | H32A | H32B | 120.0° | 119.9° |
| H32 | C32 | C38 | C37 | 90.0° | 89.9° |
| H32 | C32 | C38 | C39 | 90.0° | 90.0° |
| H32A | C32 | C38 | C37 | 150.0° | 150.0° |
| H32A | C32 | C38 | C39 | 30.0° | 30.1° |
| H32B | C32 | C38 | C37 | 30.0° | 30.0° |
| H32B | C32 | C38 | C39 | 150.0° | 150.1° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
| C40 | C35 | C36 | H35 | 180.0° | 179.7° |
| C40 | C35 | C36 | C37 | 0.0° | 0.3° |
| C40 | C35 | C36 | H36 | 180.0° | 179.8° |
| C35 | C40 | C39 | C38 | 0.1° | 0.5° |
| C35 | C40 | C39 | H39 | 179.9° | 179.8° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C35 | C36 | C37 | H37 | 180.0° | 179.9° |
| C36 | C35 | C40 | C39 | 0.0° | 0.5° |
| H35 | C35 | C36 | C37 | 180.0° | 180.0° |
| H35 | C35 | C36 | H36 | 0.0° | 0.0° |
| H35 | C35 | C40 | C39 | 180.0° | 179.7° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.0° | 0.1° |
| H36 | C36 | C37 | C38 | 180.0° | 179.9° |
| H36 | C36 | C37 | H37 | 0.0° | 0.0° |
| C37 | C38 | C39 | C40 | 0.1° | 0.1° |
| C37 | C38 | C39 | H39 | 179.9° | 179.9° |
| H37 | C37 | C38 | C39 | 180.0° | 180.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.8° |
