QN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C9 | doub | 1.22Å | 1.22Å | |
| F2 | C11 | sing | 1.40Å | 1.35Å | |
| C30 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| F3 | C11 | sing | 1.40Å | 1.38Å | |
| C14 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C31 | sing | 1.51Å | 1.55Å | |
| C11 | F1 | sing | 1.40Å | 1.33Å | |
| C9 | C4 | sing | 1.48Å | 1.53Å | |
| C9 | N2 | sing | 1.35Å | 1.33Å | |
| C31 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C7 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | N28 | sing | 1.46Å | 1.45Å | |
| C29 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| O41 | S8 | doub | 1.42Å | 1.45Å | |
| C26 | S8 | sing | 1.76Å | 1.77Å | |
| C26 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| N28 | S8 | sing | 1.66Å | 1.66Å | |
| N28 | C23 | sing | 1.46Å | 1.45Å | |
| C3 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | N22 | sing | 1.48Å | 1.46Å | |
| C21 | C23 | sing | 1.55Å | 1.55Å | |
| N22 | C25 | sing | 1.48Å | 1.49Å | |
| S8 | O10 | doub | 1.42Å | 1.45Å | |
| C25 | C24 | sing | 1.54Å | 1.54Å | |
| C23 | C24 | sing | 1.55Å | 1.57Å | |
| C24 | N32 | sing | 1.46Å | 1.47Å | |
| N1 | C8 | sing | 1.35Å | 1.35Å | |
| C5 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| N32 | C33 | sing | 1.46Å | 1.47Å | |
| N32 | S9 | sing | 1.66Å | 1.71Å | |
| C20 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| O11 | S9 | doub | 1.42Å | 1.46Å | |
| C8 | C6 | sing | 1.48Å | 1.50Å | |
| C8 | O2 | doub | 1.22Å | 1.22Å | |
| C6 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | S9 | sing | 1.76Å | 1.73Å | |
| C27 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.55Å | |
| C39 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| S9 | O40 | doub | 1.42Å | 1.46Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| F6 | C10 | sing | 1.40Å | 1.35Å | |
| C2 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| F5 | C10 | sing | 1.40Å | 1.37Å | |
| C37 | C10 | sing | 1.51Å | 1.53Å | |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | F4 | sing | 1.40Å | 1.36Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 1.01Å | 1.00Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C9 | C4 | 118.5° | 120.0° |
| O1 | C9 | N2 | 119.0° | 120.0° |
| F2 | C11 | F3 | 106.3° | 109.4° |
| F2 | C11 | C31 | 105.7° | 109.5° |
| F2 | C11 | F1 | 116.9° | 109.4° |
| C14 | C30 | C31 | 120.5° | 120.0° |
| C30 | C14 | C12 | 119.9° | 120.0° |
| C30 | C14 | H14 | 120.0° | 120.0° |
| C14 | C30 | H30 | 119.7° | 120.0° |
| C30 | C31 | C11 | 117.7° | 120.0° |
| C30 | C31 | C29 | 119.5° | 120.0° |
| C31 | C30 | H30 | 119.8° | 120.0° |
| F3 | C11 | C31 | 107.1° | 109.5° |
| F3 | C11 | F1 | 107.7° | 109.5° |
| C14 | C12 | C7 | 116.4° | 120.0° |
| C14 | C12 | C13 | 119.8° | 120.1° |
| C12 | C14 | H14 | 120.0° | 120.1° |
| C17 | C1 | C4 | 118.1° | 119.8° |
| C1 | C17 | C26 | 120.0° | 120.2° |
| C1 | C17 | H17 | 120.0° | 119.9° |
| C17 | C1 | H1 | 121.0° | 120.1° |
| C1 | C4 | C9 | 117.9° | 120.1° |
| C1 | C4 | C3 | 121.4° | 119.7° |
| C4 | C1 | H1 | 120.9° | 120.1° |
| C31 | C11 | F1 | 112.5° | 109.5° |
| C11 | C31 | C29 | 122.8° | 120.0° |
| C4 | C9 | N2 | 122.6° | 120.0° |
| C9 | C4 | C3 | 120.5° | 120.2° |
| C9 | N2 | HN21 | 109.4° | 120.0° |
| C9 | N2 | HN2A | 125.3° | 120.0° |
| C31 | C29 | C13 | 120.5° | 120.0° |
| C31 | C29 | H29 | 119.7° | 120.0° |
| C17 | C26 | S8 | 118.5° | 119.8° |
| C17 | C26 | C19 | 122.8° | 120.3° |
| C26 | C17 | H17 | 120.0° | 119.9° |
| C7 | C12 | C13 | 123.7° | 120.0° |
| C12 | C7 | N28 | 119.4° | 109.5° |
| C12 | C7 | H71 | 106.3° | 109.5° |
| C12 | C7 | H72 | 104.0° | 109.4° |
| C12 | C13 | C29 | 119.6° | 120.0° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C4 | C3 | C19 | 121.7° | 119.9° |
| C4 | C3 | H3 | 119.1° | 120.0° |
| C7 | N28 | S8 | 116.4° | 120.0° |
| C7 | N28 | C23 | 124.8° | 120.0° |
| N28 | C7 | H71 | 106.3° | 109.5° |
| N28 | C7 | H72 | 104.0° | 109.5° |
| C13 | C29 | H29 | 119.7° | 120.0° |
| C29 | C13 | H13 | 120.2° | 120.0° |
| O41 | S8 | C26 | 107.4° | 106.4° |
| O41 | S8 | N28 | 107.7° | 106.4° |
| O41 | S8 | O10 | 119.3° | 123.1° |
| S8 | C26 | C19 | 118.6° | 119.9° |
| C26 | S8 | N28 | 101.6° | 107.2° |
| C26 | S8 | O10 | 108.3° | 106.4° |
| C26 | C19 | C3 | 115.9° | 120.1° |
| C26 | C19 | H19 | 122.1° | 119.9° |
| S8 | N28 | C23 | 118.2° | 120.0° |
| N28 | S8 | O10 | 111.1° | 106.4° |
| N28 | C23 | C21 | 109.6° | 110.7° |
| N28 | C23 | C24 | 113.8° | 110.9° |
| N28 | C23 | H23 | 105.4° | 110.8° |
| C19 | C3 | H3 | 119.2° | 120.1° |
| C3 | C19 | H19 | 122.0° | 119.9° |
| N22 | C21 | C23 | 107.7° | 103.3° |
| C21 | N22 | C25 | 109.4° | 105.8° |
| C21 | N22 | HN22 | 109.5° | 111.0° |
| N22 | C21 | H211 | 110.1° | 110.7° |
| N22 | C21 | H212 | 110.4° | 110.7° |
| C21 | C23 | C24 | 106.2° | 102.8° |
| C23 | C21 | H211 | 110.1° | 110.6° |
| C23 | C21 | H212 | 110.5° | 110.7° |
| C21 | C23 | H23 | 113.1° | 110.7° |
| N22 | C25 | C24 | 106.3° | 107.0° |
| N22 | C25 | H251 | 110.5° | 109.9° |
| N22 | C25 | H252 | 111.3° | 110.1° |
| C25 | N22 | HN22 | 109.5° | 111.0° |
| C25 | C24 | C23 | 104.3° | 105.2° |
| C25 | C24 | N32 | 112.5° | 110.3° |
| C25 | C24 | H24 | 110.4° | 110.3° |
| C24 | C25 | H251 | 110.6° | 109.9° |
| C24 | C25 | H252 | 111.2° | 110.0° |
| C23 | C24 | N32 | 108.2° | 110.3° |
| C23 | C24 | H24 | 114.7° | 110.3° |
| C24 | C23 | H23 | 108.9° | 110.6° |
| C24 | N32 | C33 | 126.6° | 120.0° |
| C24 | N32 | S9 | 114.1° | 120.0° |
| N32 | C24 | H24 | 106.8° | 110.2° |
| N1 | C8 | C6 | 117.0° | 120.0° |
| N1 | C8 | O2 | 122.7° | 120.0° |
| C8 | N1 | HN11 | 107.7° | 120.0° |
| C8 | N1 | HN12 | 126.2° | 120.0° |
| C20 | C5 | C6 | 121.4° | 119.8° |
| C5 | C20 | C27 | 116.8° | 120.2° |
| C5 | C20 | H20 | 121.6° | 119.9° |
| C20 | C5 | H5 | 119.3° | 120.1° |
| C5 | C6 | C8 | 121.3° | 120.1° |
| C5 | C6 | C2 | 120.4° | 119.7° |
| C6 | C5 | H5 | 119.3° | 120.1° |
| C33 | N32 | S9 | 119.1° | 119.9° |
| N32 | C33 | C34 | 110.2° | 109.5° |
| N32 | C33 | H331 | 109.2° | 109.5° |
| N32 | C33 | H332 | 109.1° | 109.6° |
| N32 | S9 | O11 | 107.7° | 106.3° |
| N32 | S9 | C27 | 111.3° | 107.2° |
| N32 | S9 | O40 | 106.7° | 106.4° |
| C20 | C27 | S9 | 117.2° | 119.9° |
| C20 | C27 | C18 | 122.7° | 120.2° |
| C27 | C20 | H20 | 121.6° | 119.9° |
| O11 | S9 | C27 | 106.4° | 106.4° |
| O11 | S9 | O40 | 119.3° | 123.2° |
| C6 | C8 | O2 | 120.3° | 119.9° |
| C8 | C6 | C2 | 118.2° | 120.2° |
| C6 | C2 | C18 | 119.0° | 119.9° |
| C6 | C2 | H2 | 120.5° | 120.1° |
| C39 | C38 | C34 | 121.4° | 119.9° |
| C38 | C39 | C37 | 119.4° | 120.1° |
| C39 | C38 | H38 | 119.3° | 120.0° |
| C38 | C39 | H39 | 120.3° | 120.0° |
| C38 | C34 | C33 | 119.0° | 120.0° |
| C38 | C34 | C35 | 118.3° | 120.0° |
| C34 | C38 | H38 | 119.3° | 120.0° |
| S9 | C27 | C18 | 120.0° | 119.9° |
| C27 | S9 | O40 | 105.4° | 106.4° |
| C27 | C18 | C2 | 119.5° | 120.2° |
| C27 | C18 | H18 | 120.3° | 119.9° |
| C33 | C34 | C35 | 122.8° | 120.0° |
| C34 | C33 | H331 | 109.2° | 109.4° |
| C34 | C33 | H332 | 109.1° | 109.4° |
| C39 | C37 | C10 | 119.3° | 120.0° |
| C39 | C37 | C36 | 119.5° | 119.9° |
| C37 | C39 | H39 | 120.3° | 120.0° |
| C34 | C35 | C36 | 120.8° | 120.0° |
| C34 | C35 | H35 | 119.6° | 120.0° |
| F6 | C10 | F5 | 109.7° | 109.5° |
| F6 | C10 | C37 | 113.7° | 109.5° |
| F6 | C10 | F4 | 110.3° | 109.5° |
| C18 | C2 | H2 | 120.5° | 120.1° |
| C2 | C18 | H18 | 120.3° | 119.9° |
| F5 | C10 | C37 | 109.1° | 109.5° |
| F5 | C10 | F4 | 105.4° | 109.5° |
| C10 | C37 | C36 | 121.2° | 120.0° |
| C37 | C10 | F4 | 108.2° | 109.5° |
| C37 | C36 | C35 | 120.5° | 120.0° |
| C37 | C36 | H36 | 119.8° | 120.0° |
| C35 | C36 | H36 | 119.7° | 120.0° |
| C36 | C35 | H35 | 119.6° | 120.0° |
| HN11 | N1 | HN12 | 126.2° | 120.0° |
| H331 | C33 | H332 | 110.0° | 109.5° |
| H251 | C25 | H252 | 107.0° | 109.9° |
| H211 | C21 | H212 | 108.1° | 110.7° |
| H71 | C7 | H72 | 117.7° | 109.5° |
| HN21 | N2 | HN2A | 125.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C9 | C4 | C1 | 29.3° | 0.0° |
| O1 | C9 | C4 | N2 | 180.0° | 180.0° |
| O1 | C9 | C4 | C3 | 146.2° | 180.0° |
| O1 | C9 | N2 | HN21 | 0.0° | 180.0° |
| O1 | C9 | N2 | HN2A | 180.0° | 0.1° |
| F2 | C11 | C31 | C30 | 80.0° | 30.0° |
| F2 | C11 | F3 | C31 | 112.7° | 120.0° |
| F2 | C11 | F3 | F1 | 126.0° | 120.0° |
| F2 | C11 | C31 | F1 | 128.8° | 120.0° |
| F2 | C11 | C31 | C29 | 99.8° | 150.0° |
| C14 | C30 | C31 | H30 | 180.0° | 179.9° |
| C30 | C14 | C12 | H14 | 180.0° | 180.0° |
| C14 | C30 | C31 | C11 | 179.1° | 180.0° |
| C14 | C30 | C31 | C29 | 1.1° | 0.1° |
| C30 | C14 | C12 | C7 | 177.7° | 180.0° |
| C30 | C14 | C12 | C13 | 4.8° | 0.3° |
| C30 | C31 | C11 | F3 | 33.0° | 150.0° |
| C31 | C30 | C14 | C12 | 3.1° | 0.0° |
| C30 | C31 | C11 | C29 | 179.8° | 180.0° |
| C30 | C31 | C11 | F1 | 151.3° | 90.0° |
| C30 | C31 | C29 | C13 | 0.8° | 0.2° |
| C31 | C30 | C14 | H14 | 176.9° | 180.0° |
| C30 | C31 | C29 | H29 | 179.2° | 180.0° |
| F3 | C11 | C31 | F1 | 118.2° | 120.0° |
| F3 | C11 | C31 | C29 | 147.2° | 30.0° |
| C14 | C12 | C7 | C13 | 177.3° | 179.7° |
| C14 | C12 | C7 | N28 | 144.1° | 97.1° |
| C14 | C12 | C13 | C29 | 4.5° | 0.5° |
| C14 | C12 | C7 | H71 | 95.9° | 142.9° |
| C14 | C12 | C7 | H72 | 28.9° | 22.9° |
| C12 | C14 | C30 | H30 | 176.9° | 179.9° |
| C14 | C12 | C13 | H13 | 175.5° | 179.7° |
| C17 | C1 | C4 | H1 | 180.0° | 180.0° |
| C17 | C1 | C4 | C9 | 178.4° | 180.0° |
| C1 | C17 | C26 | H17 | 180.0° | 179.9° |
| C17 | C1 | C4 | C3 | 3.0° | 0.1° |
| C1 | C17 | C26 | S8 | 179.6° | 180.0° |
| C1 | C17 | C26 | C19 | 1.0° | 0.3° |
| C1 | C4 | C9 | C3 | 175.4° | 180.0° |
| C1 | C4 | C9 | N2 | 150.8° | 180.0° |
| C4 | C1 | C17 | C26 | 1.8° | 0.1° |
| C1 | C4 | C3 | C19 | 3.5° | 0.3° |
| C4 | C1 | C17 | H17 | 178.2° | 180.0° |
| C1 | C4 | C3 | H3 | 176.5° | 180.0° |
| C11 | C31 | C29 | C13 | 179.4° | 179.8° |
| C11 | C31 | C30 | H30 | 0.9° | 0.1° |
| C11 | C31 | C29 | H29 | 0.6° | 0.0° |
| F1 | C11 | C31 | C29 | 28.9° | 90.0° |
| C9 | C4 | C3 | C19 | 178.8° | 179.7° |
| C9 | C4 | C1 | H1 | 1.6° | 0.0° |
| C4 | C9 | N2 | HN21 | 180.0° | 0.0° |
| C4 | C9 | N2 | HN2A | 0.0° | 180.0° |
| C9 | C4 | C3 | H3 | 1.2° | 0.0° |
| N2 | C9 | C4 | C3 | 33.8° | 0.0° |
| C9 | N2 | HN21 | HN2A | 180.0° | 180.0° |
| C31 | C29 | C13 | C12 | 2.5° | 0.5° |
| C31 | C29 | C13 | H29 | 180.0° | 179.8° |
| C29 | C31 | C30 | H30 | 178.9° | 180.0° |
| C31 | C29 | C13 | H13 | 177.5° | 179.8° |
| C17 | C26 | S8 | O41 | 31.7° | 158.6° |
| C17 | C26 | S8 | C19 | 179.4° | 179.7° |
| C17 | C26 | S8 | N28 | 81.2° | 87.9° |
| C17 | C26 | C19 | C3 | 1.4° | 0.5° |
| C17 | C26 | S8 | O10 | 161.7° | 25.7° |
| C26 | C17 | C1 | H1 | 178.2° | 180.0° |
| C17 | C26 | C19 | H19 | 178.6° | 179.7° |
| C12 | C7 | N28 | H71 | 120.0° | 120.0° |
| C12 | C7 | N28 | H72 | 115.2° | 120.0° |
| C7 | C12 | C13 | C29 | 178.2° | 179.8° |
| C12 | C7 | N28 | S8 | 104.8° | 95.3° |
| C12 | C7 | N28 | C23 | 84.2° | 84.7° |
| C12 | C7 | H71 | H72 | 115.9° | 120.0° |
| C7 | C12 | C14 | H14 | 2.3° | 0.0° |
| C7 | C12 | C13 | H13 | 1.8° | 0.0° |
| C13 | C12 | C7 | N28 | 33.2° | 82.6° |
| C12 | C13 | C29 | H13 | 180.0° | 179.8° |
| C13 | C12 | C7 | H71 | 86.8° | 37.4° |
| C13 | C12 | C7 | H72 | 148.4° | 157.4° |
| C13 | C12 | C14 | H14 | 175.1° | 179.7° |
| C12 | C13 | C29 | H29 | 177.5° | 179.7° |
| C4 | C3 | C19 | C26 | 2.6° | 0.5° |
| C4 | C3 | C19 | H3 | 180.0° | 179.7° |
| C3 | C4 | C1 | H1 | 177.0° | 180.0° |
| C4 | C3 | C19 | H19 | 177.4° | 179.7° |
| C7 | N28 | S8 | O41 | 24.0° | 31.6° |
| C7 | N28 | S8 | C26 | 88.7° | 81.9° |
| C7 | N28 | S8 | C23 | 171.6° | 180.0° |
| C7 | N28 | C23 | C21 | 60.2° | 126.4° |
| C7 | N28 | S8 | O10 | 156.3° | 164.5° |
| C7 | N28 | C23 | C24 | 58.5° | 120.1° |
| C7 | N28 | C23 | H23 | 177.8° | 3.1° |
| N28 | C7 | H71 | H72 | 115.9° | 120.0° |
| O41 | S8 | C26 | N28 | 112.9° | 113.5° |
| O41 | S8 | C26 | O10 | 130.0° | 132.9° |
| O41 | S8 | C26 | C19 | 147.8° | 21.7° |
| O41 | S8 | N28 | O10 | 132.3° | 132.9° |
| O41 | S8 | N28 | C23 | 164.4° | 148.4° |
| C26 | S8 | N28 | O10 | 115.0° | 113.6° |
| C26 | S8 | N28 | C23 | 82.9° | 98.1° |
| S8 | C26 | C19 | C3 | 179.2° | 179.8° |
| S8 | C26 | C17 | H17 | 0.4° | 0.1° |
| S8 | C26 | C19 | H19 | 0.8° | 0.0° |
| C19 | C26 | S8 | N28 | 99.4° | 91.8° |
| C26 | C19 | C3 | H19 | 180.0° | 179.8° |
| C19 | C26 | S8 | O10 | 17.7° | 154.6° |
| C19 | C26 | C17 | H17 | 179.0° | 179.8° |
| C26 | C19 | C3 | H3 | 177.4° | 179.8° |
| S8 | N28 | C23 | C21 | 110.7° | 53.6° |
| S8 | N28 | C23 | C24 | 130.6° | 59.9° |
| S8 | N28 | C23 | H23 | 11.3° | 176.9° |
| S8 | N28 | C7 | H71 | 15.2° | 144.7° |
| S8 | N28 | C7 | H72 | 140.1° | 24.6° |
| N28 | C23 | C21 | N22 | 123.9° | 155.8° |
| N28 | C23 | C21 | C24 | 123.3° | 118.5° |
| N28 | C23 | C21 | H23 | 117.3° | 123.3° |
| C23 | N28 | S8 | O10 | 32.1° | 15.5° |
| N28 | C23 | C24 | C25 | 106.6° | 140.2° |
| N28 | C23 | C24 | H23 | 117.3° | 123.4° |
| N28 | C23 | C24 | N32 | 133.4° | 100.8° |
| N28 | C23 | C24 | H24 | 14.3° | 21.2° |
| N28 | C23 | C21 | H211 | 3.9° | 37.3° |
| N28 | C23 | C21 | H212 | 115.4° | 85.7° |
| C23 | N28 | C7 | H71 | 155.8° | 35.3° |
| C23 | N28 | C7 | H72 | 31.0° | 155.4° |
| N22 | C21 | C23 | H211 | 120.0° | 118.5° |
| N22 | C21 | C23 | H212 | 120.7° | 118.5° |
| C21 | N22 | C25 | HN22 | 120.0° | 120.6° |
| C21 | N22 | C25 | C24 | 25.1° | 25.3° |
| N22 | C21 | C23 | C24 | 0.6° | 37.3° |
| C21 | N22 | C25 | H251 | 145.1° | 94.0° |
| C21 | N22 | C25 | H252 | 96.1° | 144.8° |
| N22 | C21 | H211 | H212 | 120.7° | 123.1° |
| N22 | C21 | C23 | H23 | 118.8° | 80.9° |
| C23 | C21 | N22 | C25 | 15.9° | 39.1° |
| C21 | C23 | C24 | C25 | 14.0° | 21.8° |
| C21 | C23 | C24 | H23 | 122.1° | 118.2° |
| C21 | C23 | C24 | N32 | 106.0° | 140.8° |
| C21 | C23 | C24 | H24 | 135.0° | 97.1° |
| C23 | C21 | N22 | HN22 | 104.1° | 81.4° |
| C23 | C21 | H211 | H212 | 120.7° | 123.0° |
| N22 | C25 | C24 | H251 | 120.0° | 119.3° |
| N22 | C25 | C24 | H252 | 121.2° | 119.6° |
| N22 | C25 | C24 | C23 | 23.5° | 1.3° |
| N22 | C25 | C24 | N32 | 93.6° | 117.7° |
| N22 | C25 | C24 | H24 | 147.2° | 120.2° |
| N22 | C25 | H251 | H252 | 121.3° | 121.3° |
| C25 | N22 | C21 | H211 | 104.1° | 79.2° |
| C25 | N22 | C21 | H212 | 136.6° | 157.6° |
| C25 | C24 | C23 | N32 | 120.0° | 119.0° |
| C25 | C24 | C23 | H24 | 120.9° | 119.0° |
| C25 | C24 | N32 | H24 | 121.3° | 122.1° |
| C25 | C24 | N32 | C33 | 44.3° | 125.6° |
| C25 | C24 | N32 | S9 | 141.5° | 54.5° |
| C24 | C25 | H251 | H252 | 121.3° | 121.1° |
| C24 | C25 | N22 | HN22 | 94.9° | 95.2° |
| C25 | C24 | C23 | H23 | 136.1° | 96.4° |
| C23 | C24 | N32 | H24 | 123.9° | 122.1° |
| C23 | C24 | N32 | C33 | 70.5° | 118.5° |
| C23 | C24 | N32 | S9 | 103.7° | 61.4° |
| C23 | C24 | C25 | H251 | 143.4° | 118.1° |
| C23 | C24 | C25 | H252 | 97.8° | 120.9° |
| C24 | C23 | C21 | H211 | 119.4° | 81.2° |
| C24 | C23 | C21 | H212 | 121.3° | 155.8° |
| C24 | N32 | C33 | S9 | 173.9° | 179.9° |
| C24 | N32 | S9 | O11 | 40.1° | 16.0° |
| C24 | N32 | S9 | C27 | 76.2° | 97.5° |
| C24 | N32 | C33 | C34 | 83.8° | 81.3° |
| C24 | N32 | S9 | O40 | 169.3° | 149.0° |
| C24 | N32 | C33 | H331 | 36.2° | 38.7° |
| C24 | N32 | C33 | H332 | 156.5° | 158.7° |
| N32 | C24 | C25 | H251 | 26.4° | 122.9° |
| N32 | C24 | C25 | H252 | 145.2° | 1.9° |
| N32 | C24 | C23 | H23 | 16.1° | 22.6° |
| N1 | C8 | C6 | C5 | 5.7° | 0.3° |
| N1 | C8 | C6 | O2 | 179.6° | 180.0° |
| N1 | C8 | C6 | C2 | 172.0° | 180.0° |
| C8 | N1 | HN11 | HN12 | 180.0° | 179.8° |
| C20 | C5 | C6 | H5 | 180.0° | 179.4° |
| C5 | C20 | C27 | H20 | 180.0° | 179.6° |
| C20 | C5 | C6 | C8 | 178.4° | 179.7° |
| C20 | C5 | C6 | C2 | 0.8° | 0.6° |
| C5 | C20 | C27 | S9 | 179.2° | 179.7° |
| C5 | C20 | C27 | C18 | 5.2° | 0.3° |
| C6 | C5 | C20 | C27 | 2.4° | 0.6° |
| C5 | C6 | C8 | C2 | 177.7° | 179.7° |
| C5 | C6 | C8 | O2 | 174.7° | 179.7° |
| C5 | C6 | C2 | C18 | 1.6° | 0.3° |
| C5 | C6 | C2 | H2 | 178.4° | 179.7° |
| C6 | C5 | C20 | H20 | 177.6° | 179.7° |
| C33 | N32 | S9 | O11 | 134.6° | 164.1° |
| N32 | C33 | C34 | C38 | 125.1° | 86.2° |
| C33 | N32 | S9 | C27 | 109.1° | 82.4° |
| N32 | C33 | C34 | H331 | 120.0° | 120.0° |
| N32 | C33 | C34 | H332 | 119.7° | 120.1° |
| C33 | N32 | S9 | O40 | 5.4° | 31.1° |
| N32 | C33 | C34 | C35 | 53.0° | 93.5° |
| N32 | C33 | H331 | H332 | 119.7° | 120.1° |
| C33 | N32 | C24 | H24 | 165.6° | 3.6° |
| N32 | S9 | C27 | C20 | 113.9° | 81.9° |
| N32 | S9 | O11 | C27 | 119.5° | 114.1° |
| N32 | S9 | O11 | O40 | 121.7° | 122.9° |
| N32 | S9 | C27 | O40 | 115.3° | 113.6° |
| N32 | S9 | C27 | C18 | 61.8° | 98.1° |
| S9 | N32 | C33 | C34 | 90.1° | 98.8° |
| S9 | N32 | C33 | H331 | 149.9° | 141.3° |
| S9 | N32 | C33 | H332 | 29.6° | 21.2° |
| S9 | N32 | C24 | H24 | 20.2° | 176.5° |
| C20 | C27 | S9 | O11 | 3.2° | 164.6° |
| C20 | C27 | S9 | C18 | 175.7° | 180.0° |
| C20 | C27 | S9 | O40 | 130.9° | 31.7° |
| C20 | C27 | C18 | C2 | 6.2° | 0.0° |
| C20 | C27 | C18 | H18 | 173.8° | 180.0° |
| C27 | C20 | C5 | H5 | 177.6° | 180.0° |
| O11 | S9 | C27 | O40 | 127.6° | 133.0° |
| O11 | S9 | C27 | C18 | 178.9° | 15.4° |
| C8 | C6 | C2 | C18 | 179.3° | 180.0° |
| C6 | C8 | N1 | HN11 | 0.0° | 0.0° |
| C6 | C8 | N1 | HN12 | 180.0° | 179.7° |
| C8 | C6 | C2 | H2 | 0.7° | 0.0° |
| C8 | C6 | C5 | H5 | 1.6° | 0.3° |
| O2 | C8 | C6 | C2 | 7.6° | 0.0° |
| O2 | C8 | N1 | HN11 | 179.6° | 180.0° |
| O2 | C8 | N1 | HN12 | 0.4° | 0.2° |
| C6 | C2 | C18 | C27 | 4.2° | 0.0° |
| C6 | C2 | C18 | H2 | 180.0° | 180.0° |
| C6 | C2 | C18 | H18 | 175.8° | 180.0° |
| C2 | C6 | C5 | H5 | 179.2° | 180.0° |
| C39 | C38 | C34 | H38 | 180.0° | 179.9° |
| C39 | C38 | C34 | C33 | 178.8° | 180.0° |
| C38 | C39 | C37 | H39 | 180.0° | 179.9° |
| C39 | C38 | C34 | C35 | 3.0° | 0.3° |
| C38 | C39 | C37 | C10 | 179.3° | 180.0° |
| C38 | C39 | C37 | C36 | 2.6° | 0.0° |
| C38 | C34 | C33 | C35 | 178.1° | 179.7° |
| C34 | C38 | C39 | C37 | 2.7° | 0.1° |
| C38 | C34 | C35 | C36 | 3.1° | 0.5° |
| C38 | C34 | C33 | H331 | 5.1° | 153.8° |
| C38 | C34 | C33 | H332 | 115.2° | 33.9° |
| C34 | C38 | C39 | H39 | 177.2° | 180.0° |
| C38 | C34 | C35 | H35 | 176.9° | 179.7° |
| S9 | C27 | C18 | C2 | 178.4° | 180.0° |
| S9 | C27 | C18 | H18 | 1.6° | 0.0° |
| S9 | C27 | C20 | H20 | 0.7° | 0.0° |
| C18 | C27 | S9 | O40 | 53.5° | 148.3° |
| C27 | C18 | C2 | H18 | 180.0° | 180.0° |
| C27 | C18 | C2 | H2 | 175.8° | 180.0° |
| C18 | C27 | C20 | H20 | 174.8° | 180.0° |
| C33 | C34 | C35 | C36 | 178.8° | 179.8° |
| C34 | C33 | H331 | H332 | 119.7° | 119.9° |
| C33 | C34 | C38 | H38 | 1.2° | 0.1° |
| C33 | C34 | C35 | H35 | 1.2° | 0.0° |
| C39 | C37 | C10 | F6 | 124.1° | 150.0° |
| C39 | C37 | C10 | F5 | 1.3° | 30.0° |
| C39 | C37 | C10 | C36 | 176.7° | 180.0° |
| C39 | C37 | C36 | C35 | 2.7° | 0.2° |
| C39 | C37 | C10 | F4 | 113.0° | 90.0° |
| C37 | C39 | C38 | H38 | 177.2° | 180.0° |
| C39 | C37 | C36 | H36 | 177.3° | 180.0° |
| C34 | C35 | C36 | C37 | 3.0° | 0.4° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C35 | C34 | C33 | H331 | 173.0° | 26.5° |
| C35 | C34 | C33 | H332 | 66.7° | 146.4° |
| C35 | C34 | C38 | H38 | 177.0° | 179.8° |
| C34 | C35 | C36 | H36 | 177.0° | 179.8° |
| F6 | C10 | F5 | C37 | 125.2° | 120.0° |
| F6 | C10 | F5 | F4 | 118.8° | 120.0° |
| F6 | C10 | C37 | F4 | 122.9° | 120.0° |
| F6 | C10 | C37 | C36 | 59.2° | 30.0° |
| F5 | C10 | C37 | F4 | 114.2° | 120.0° |
| F5 | C10 | C37 | C36 | 178.0° | 150.0° |
| C10 | C37 | C36 | C35 | 179.4° | 179.8° |
| C10 | C37 | C39 | H39 | 0.6° | 0.1° |
| C10 | C37 | C36 | H36 | 0.6° | 0.0° |
| C37 | C36 | C35 | H36 | 180.0° | 179.8° |
| C36 | C37 | C10 | F4 | 63.7° | 90.0° |
| C36 | C37 | C39 | H39 | 177.4° | 180.0° |
| C37 | C36 | C35 | H35 | 177.0° | 179.7° |
| H2 | C2 | C18 | H18 | 4.2° | 0.0° |
| H20 | C20 | C5 | H5 | 2.4° | 0.3° |
| H38 | C38 | C39 | H39 | 2.8° | 0.0° |
| H36 | C36 | C35 | H35 | 3.0° | 0.1° |
| H24 | C24 | C25 | H251 | 92.8° | 0.9° |
| H24 | C24 | C25 | H252 | 25.9° | 120.2° |
| H24 | C24 | C23 | H23 | 103.0° | 144.6° |
| H251 | C25 | N22 | HN22 | 25.1° | 145.4° |
| H252 | C25 | N22 | HN22 | 143.8° | 24.3° |
| HN22 | N22 | C21 | H211 | 135.9° | 160.2° |
| HN22 | N22 | C21 | H212 | 16.6° | 37.1° |
| H211 | C21 | C23 | H23 | 121.2° | 160.6° |
| H212 | C21 | C23 | H23 | 1.9° | 37.6° |
| H14 | C14 | C30 | H30 | 3.1° | 0.1° |
| H29 | C29 | C13 | H13 | 2.5° | 0.1° |
| H17 | C17 | C1 | H1 | 1.8° | 0.1° |
| H3 | C3 | C19 | H19 | 2.6° | 0.0° |
