4K1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.40Å | Aromatic |
| N38 | C37 | sing | 1.35Å | 1.33Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.48Å | 1.50Å | |
| C36 | C29 | doub | 1.41Å | 1.41Å | Aromatic |
| C37 | O39 | doub | 1.22Å | 1.25Å | |
| C32 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C21 | sing | 1.48Å | 1.48Å | |
| C21 | C22 | doub | 1.36Å | 1.37Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.43Å | |
| C22 | N23 | sing | 1.36Å | 1.35Å | Aromatic |
| N20 | C10 | doub | 1.30Å | 1.32Å | Aromatic |
| C18 | O7 | sing | 1.43Å | 1.44Å | |
| C10 | N23 | sing | 1.36Å | 1.35Å | Aromatic |
| C10 | C8 | sing | 1.51Å | 1.50Å | |
| O7 | C4 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N9 | C8 | sing | 1.47Å | 1.46Å | |
| N9 | C11 | sing | 1.39Å | 1.40Å | |
| C8 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | F24 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | O25 | sing | 1.36Å | 1.38Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.47Å | |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C17 | sing | 1.48Å | 1.49Å | |
| C28 | C26 | sing | 1.53Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.48Å | |
| N30 | C17 | doub | 1.30Å | 1.28Å | |
| C17 | N31 | sing | 1.38Å | 1.35Å | |
| C13 | H45 | sing | 1.08Å | 1.08Å | |
| C18 | H49 | sing | 1.09Å | 1.10Å | |
| C18 | H48 | sing | 1.09Å | 1.10Å | |
| C16 | H47 | sing | 1.08Å | 1.08Å | |
| C15 | H46 | sing | 1.08Å | 1.08Å | |
| C19 | H52 | sing | 1.09Å | 1.10Å | |
| C19 | H51 | sing | 1.09Å | 1.10Å | |
| C19 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H53 | sing | 1.08Å | 1.08Å | |
| C12 | H44 | sing | 1.08Å | 1.08Å | |
| C34 | H67 | sing | 1.08Å | 1.08Å | |
| C27 | H58 | sing | 1.09Å | 1.10Å | |
| C27 | H56 | sing | 1.09Å | 1.10Å | |
| C27 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.08Å | 1.08Å | |
| C3 | H40 | sing | 1.08Å | 1.08Å | |
| C5 | H41 | sing | 1.08Å | 1.08Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| N9 | H43 | sing | 0.97Å | 1.00Å | |
| N23 | H54 | sing | 0.97Å | 1.00Å | |
| C26 | H55 | sing | 1.09Å | 1.10Å | |
| C28 | H61 | sing | 1.09Å | 1.10Å | |
| C28 | H59 | sing | 1.09Å | 1.10Å | |
| C28 | H60 | sing | 1.09Å | 1.10Å | |
| N30 | H62 | sing | 0.97Å | 1.00Å | |
| N31 | H64 | sing | 0.97Å | 1.00Å | |
| C32 | H65 | sing | 1.08Å | 1.08Å | |
| C35 | H68 | sing | 1.08Å | 1.08Å | |
| N38 | H70 | sing | 0.97Å | 1.00Å | |
| N38 | H69 | sing | 0.97Å | 1.00Å | |
| N31 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | C33 | 120.4° | 120.5° |
| C34 | C35 | C36 | 120.0° | 120.0° |
| C35 | C34 | H67 | 119.8° | 119.8° |
| C34 | C35 | H68 | 120.0° | 120.0° |
| C34 | C33 | C32 | 120.6° | 120.5° |
| C33 | C34 | H67 | 119.8° | 119.8° |
| C34 | C33 | H66 | 119.7° | 119.8° |
| C35 | C36 | C37 | 117.9° | 120.2° |
| C35 | C36 | C29 | 119.5° | 119.5° |
| C36 | C35 | H68 | 120.0° | 120.0° |
| N38 | C37 | C36 | 117.3° | 120.0° |
| N38 | C37 | O39 | 122.7° | 120.1° |
| C37 | N38 | H70 | 120.0° | 120.0° |
| C37 | N38 | H69 | 120.0° | 120.0° |
| C33 | C32 | C29 | 120.0° | 120.0° |
| C32 | C33 | H66 | 119.7° | 119.7° |
| C33 | C32 | H65 | 120.0° | 120.0° |
| C37 | C36 | C29 | 122.6° | 120.2° |
| C36 | C37 | O39 | 120.0° | 120.0° |
| C36 | C29 | C32 | 119.4° | 119.6° |
| C36 | C29 | C21 | 122.2° | 120.2° |
| C32 | C29 | C21 | 118.3° | 120.2° |
| C29 | C32 | H65 | 120.0° | 120.0° |
| C29 | C21 | C22 | 132.1° | 126.1° |
| C29 | C21 | N20 | 118.7° | 126.1° |
| C22 | C21 | N20 | 109.0° | 107.8° |
| C21 | C22 | N23 | 106.3° | 106.7° |
| C21 | C22 | H53 | 126.8° | 126.6° |
| C21 | N20 | C10 | 106.0° | 109.1° |
| C19 | C18 | O7 | 108.2° | 109.5° |
| C19 | C18 | H49 | 109.8° | 109.5° |
| C19 | C18 | H48 | 109.8° | 109.5° |
| C18 | C19 | H52 | 109.5° | 109.5° |
| C18 | C19 | H51 | 109.5° | 109.5° |
| C18 | C19 | H50 | 109.5° | 109.5° |
| C22 | N23 | C10 | 107.8° | 107.4° |
| N23 | C22 | H53 | 126.8° | 126.7° |
| C22 | N23 | H54 | 126.1° | 126.3° |
| N20 | C10 | N23 | 110.8° | 109.0° |
| N20 | C10 | C8 | 127.0° | 125.5° |
| C18 | O7 | C4 | 118.3° | 117.0° |
| O7 | C18 | H49 | 109.8° | 109.4° |
| O7 | C18 | H48 | 109.8° | 109.5° |
| N23 | C10 | C8 | 122.1° | 125.6° |
| C10 | N23 | H54 | 126.1° | 126.3° |
| C10 | C8 | N9 | 113.1° | 109.4° |
| C10 | C8 | C2 | 106.1° | 109.5° |
| C10 | C8 | H42 | 109.4° | 109.4° |
| O7 | C4 | C3 | 123.8° | 120.0° |
| O7 | C4 | C5 | 114.7° | 120.0° |
| C4 | C3 | C2 | 120.3° | 120.1° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C4 | C3 | H40 | 119.8° | 120.0° |
| C3 | C2 | C8 | 121.0° | 120.0° |
| C3 | C2 | C1 | 117.6° | 120.0° |
| C2 | C3 | H40 | 119.8° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | H41 | 120.3° | 120.1° |
| C8 | N9 | C11 | 122.9° | 120.0° |
| N9 | C8 | C2 | 109.1° | 109.5° |
| N9 | C8 | H42 | 110.0° | 109.5° |
| C8 | N9 | H43 | 106.0° | 120.0° |
| N9 | C11 | C12 | 119.6° | 120.0° |
| N9 | C11 | C16 | 121.4° | 119.9° |
| C11 | N9 | H43 | 106.0° | 120.0° |
| C8 | C2 | C1 | 121.2° | 120.0° |
| C2 | C8 | H42 | 109.1° | 109.5° |
| C2 | C1 | C6 | 122.9° | 120.1° |
| C2 | C1 | F24 | 118.1° | 119.9° |
| C11 | C12 | C13 | 120.4° | 120.1° |
| C12 | C11 | C16 | 119.1° | 120.1° |
| C11 | C12 | H44 | 119.8° | 119.9° |
| C12 | C13 | C14 | 121.0° | 119.9° |
| C12 | C13 | H45 | 119.5° | 120.0° |
| C13 | C12 | H44 | 119.8° | 120.0° |
| C5 | C6 | C1 | 118.6° | 119.9° |
| C5 | C6 | O25 | 124.2° | 120.1° |
| C6 | C5 | H41 | 120.3° | 120.0° |
| C11 | C16 | C15 | 120.3° | 120.1° |
| C11 | C16 | H47 | 119.8° | 119.9° |
| C6 | C1 | F24 | 119.0° | 120.0° |
| C1 | C6 | O25 | 117.2° | 120.0° |
| C13 | C14 | C15 | 118.1° | 119.9° |
| C13 | C14 | C17 | 120.4° | 120.0° |
| C14 | C13 | H45 | 119.5° | 120.1° |
| C6 | O25 | C26 | 120.7° | 117.0° |
| C16 | C15 | C14 | 121.2° | 119.9° |
| C15 | C16 | H47 | 119.8° | 120.0° |
| C16 | C15 | H46 | 119.4° | 120.0° |
| O25 | C26 | C28 | 106.3° | 109.5° |
| O25 | C26 | C27 | 110.0° | 109.5° |
| O25 | C26 | H55 | 109.6° | 109.5° |
| C15 | C14 | C17 | 121.4° | 120.0° |
| C14 | C15 | H46 | 119.4° | 120.1° |
| C14 | C17 | N30 | 118.1° | 120.0° |
| C14 | C17 | N31 | 118.5° | 120.0° |
| C28 | C26 | C27 | 112.1° | 109.5° |
| C28 | C26 | H55 | 109.5° | 109.4° |
| C26 | C28 | H61 | 109.5° | 109.5° |
| C26 | C28 | H59 | 109.4° | 109.5° |
| C26 | C28 | H60 | 109.5° | 109.4° |
| C26 | C27 | H58 | 109.5° | 109.5° |
| C26 | C27 | H56 | 109.5° | 109.5° |
| C26 | C27 | H57 | 109.5° | 109.5° |
| C27 | C26 | H55 | 109.4° | 109.5° |
| N30 | C17 | N31 | 123.2° | 120.0° |
| C17 | N30 | H62 | 112.0° | 120.0° |
| C17 | N31 | H64 | 120.0° | 120.0° |
| C17 | N31 | H1 | 120.0° | 120.0° |
| H49 | C18 | H48 | 109.5° | 109.5° |
| H52 | C19 | H51 | 109.5° | 109.4° |
| H52 | C19 | H50 | 109.4° | 109.5° |
| H51 | C19 | H50 | 109.5° | 109.5° |
| H58 | C27 | H56 | 109.5° | 109.5° |
| H58 | C27 | H57 | 109.4° | 109.4° |
| H56 | C27 | H57 | 109.5° | 109.4° |
| H61 | C28 | H59 | 109.5° | 109.5° |
| H61 | C28 | H60 | 109.4° | 109.4° |
| H59 | C28 | H60 | 109.5° | 109.4° |
| H64 | N31 | H1 | 120.0° | 120.0° |
| H70 | N38 | H69 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | C33 | H67 | 180.0° | 179.8° |
| C34 | C35 | C36 | H68 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 1.1° | 0.1° |
| C34 | C35 | C36 | C37 | 178.2° | 179.9° |
| C34 | C35 | C36 | C29 | 0.0° | 0.0° |
| C35 | C34 | C33 | H66 | 178.9° | 180.0° |
| C33 | C34 | C35 | C36 | 0.5° | 0.1° |
| C34 | C33 | C32 | H66 | 180.0° | 180.0° |
| C34 | C33 | C32 | C29 | 1.2° | 0.0° |
| C34 | C33 | C32 | H65 | 178.9° | 180.0° |
| C33 | C34 | C35 | H68 | 179.5° | 180.0° |
| C35 | C36 | C37 | N38 | 68.2° | 6.3° |
| C35 | C36 | C37 | C29 | 178.2° | 179.9° |
| C35 | C36 | C37 | O39 | 112.0° | 173.7° |
| C35 | C36 | C29 | C32 | 0.0° | 0.1° |
| C35 | C36 | C29 | C21 | 179.5° | 180.0° |
| C36 | C35 | C34 | H67 | 179.5° | 179.7° |
| N38 | C37 | C36 | O39 | 179.8° | 180.0° |
| N38 | C37 | C36 | C29 | 110.0° | 173.7° |
| C37 | N38 | H70 | H69 | 180.0° | 179.9° |
| C33 | C32 | C29 | C36 | 0.6° | 0.1° |
| C33 | C32 | C29 | H65 | 180.0° | 180.0° |
| C33 | C32 | C29 | C21 | 179.9° | 180.0° |
| C32 | C33 | C34 | H67 | 178.9° | 179.7° |
| C37 | C36 | C29 | C32 | 178.1° | 180.0° |
| C37 | C36 | C29 | C21 | 1.4° | 0.1° |
| C37 | C36 | C35 | H68 | 1.8° | 0.0° |
| C36 | C37 | N38 | H70 | 179.8° | 0.0° |
| C36 | C37 | N38 | H69 | 0.2° | 180.0° |
| C29 | C36 | C37 | O39 | 69.9° | 6.3° |
| C36 | C29 | C32 | C21 | 179.5° | 179.9° |
| C36 | C29 | C21 | C22 | 49.0° | 124.1° |
| C36 | C29 | C21 | N20 | 136.1° | 56.2° |
| C36 | C29 | C32 | H65 | 179.4° | 179.9° |
| C29 | C36 | C35 | H68 | 180.0° | 179.9° |
| O39 | C37 | N38 | H70 | 0.0° | 180.0° |
| O39 | C37 | N38 | H69 | 180.0° | 0.0° |
| C32 | C29 | C21 | C22 | 131.5° | 55.8° |
| C32 | C29 | C21 | N20 | 43.4° | 123.9° |
| C29 | C32 | C33 | H66 | 178.9° | 180.0° |
| C29 | C21 | C22 | N20 | 175.3° | 179.8° |
| C29 | C21 | C22 | N23 | 175.6° | 179.7° |
| C29 | C21 | N20 | C10 | 175.3° | 179.8° |
| C29 | C21 | C22 | H53 | 4.3° | 0.2° |
| C21 | C29 | C32 | H65 | 0.1° | 0.0° |
| C21 | C22 | N23 | H53 | 180.0° | 179.9° |
| C22 | C21 | N20 | C10 | 0.7° | 0.0° |
| C21 | C22 | N23 | C10 | 1.3° | 0.1° |
| C21 | C22 | N23 | H54 | 178.7° | 180.0° |
| N20 | C21 | C22 | N23 | 0.4° | 0.0° |
| C21 | N20 | C10 | N23 | 1.5° | 0.0° |
| C21 | N20 | C10 | C8 | 174.1° | 180.0° |
| N20 | C21 | C22 | H53 | 179.6° | 180.0° |
| C19 | C18 | O7 | H49 | 119.8° | 120.0° |
| C19 | C18 | O7 | H48 | 119.8° | 120.0° |
| C19 | C18 | O7 | C4 | 177.3° | 180.0° |
| C19 | C18 | H49 | H48 | 120.6° | 120.0° |
| C18 | C19 | H52 | H51 | 120.0° | 120.0° |
| C18 | C19 | H52 | H50 | 120.0° | 120.0° |
| C18 | C19 | H51 | H50 | 120.0° | 120.0° |
| C22 | N23 | C10 | N20 | 1.8° | 0.1° |
| C22 | N23 | C10 | H54 | 180.0° | 179.9° |
| C22 | N23 | C10 | C8 | 174.1° | 180.0° |
| N20 | C10 | N23 | C8 | 175.9° | 179.9° |
| N20 | C10 | C8 | N9 | 7.3° | 65.1° |
| N20 | C10 | C8 | C2 | 112.2° | 54.9° |
| N20 | C10 | C8 | H42 | 130.3° | 174.9° |
| N20 | C10 | N23 | H54 | 178.2° | 180.0° |
| C18 | O7 | C4 | C3 | 0.1° | 179.9° |
| C18 | O7 | C4 | C5 | 173.5° | 0.0° |
| O7 | C18 | H49 | H48 | 120.6° | 120.0° |
| O7 | C18 | C19 | H52 | 180.0° | 180.0° |
| O7 | C18 | C19 | H51 | 60.0° | 60.0° |
| O7 | C18 | C19 | H50 | 60.0° | 60.0° |
| N23 | C10 | C8 | N9 | 167.9° | 115.0° |
| N23 | C10 | C8 | C2 | 72.6° | 125.0° |
| C10 | N23 | C22 | H53 | 178.7° | 180.0° |
| N23 | C10 | C8 | H42 | 45.0° | 5.0° |
| C10 | C8 | C2 | C3 | 64.1° | 100.0° |
| C10 | C8 | N9 | C2 | 117.8° | 120.0° |
| C10 | C8 | N9 | H42 | 122.6° | 119.9° |
| C10 | C8 | N9 | C11 | 157.3° | 155.0° |
| C10 | C8 | C2 | H42 | 117.7° | 120.0° |
| C10 | C8 | C2 | C1 | 120.4° | 80.0° |
| C10 | C8 | N9 | H43 | 80.9° | 25.1° |
| C8 | C10 | N23 | H54 | 5.9° | 0.1° |
| O7 | C4 | C3 | C5 | 173.2° | 179.9° |
| O7 | C4 | C3 | C2 | 171.8° | 180.0° |
| O7 | C4 | C5 | C6 | 171.3° | 180.0° |
| C4 | O7 | C18 | H49 | 57.5° | 60.0° |
| C4 | O7 | C18 | H48 | 62.9° | 60.0° |
| O7 | C4 | C3 | H40 | 8.2° | 0.1° |
| O7 | C4 | C5 | H41 | 8.7° | 0.1° |
| C4 | C3 | C2 | H40 | 180.0° | 179.9° |
| C4 | C3 | C2 | C8 | 176.7° | 180.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.0° |
| C3 | C4 | C5 | C6 | 2.5° | 0.1° |
| C3 | C4 | C5 | H41 | 177.6° | 180.0° |
| C2 | C3 | C4 | C5 | 1.3° | 0.1° |
| C3 | C2 | C8 | N9 | 58.0° | 20.0° |
| C3 | C2 | C8 | C1 | 175.5° | 180.0° |
| C3 | C2 | C1 | C6 | 2.3° | 0.0° |
| C3 | C2 | C1 | F24 | 176.6° | 179.7° |
| C3 | C2 | C8 | H42 | 178.1° | 140.0° |
| C4 | C5 | C6 | H41 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.2° | 0.0° |
| C4 | C5 | C6 | O25 | 179.8° | 179.8° |
| C5 | C4 | C3 | H40 | 178.6° | 180.0° |
| C8 | N9 | C11 | H43 | 121.9° | 179.9° |
| N9 | C8 | C2 | H42 | 120.1° | 120.0° |
| N9 | C8 | C2 | C1 | 117.5° | 160.0° |
| C8 | N9 | C11 | C12 | 174.5° | 0.7° |
| C8 | N9 | C11 | C16 | 4.1° | 180.0° |
| C11 | N9 | C8 | C2 | 84.9° | 85.0° |
| N9 | C11 | C12 | C16 | 178.7° | 179.3° |
| N9 | C11 | C12 | C13 | 177.5° | 179.8° |
| N9 | C11 | C16 | C15 | 177.0° | 180.0° |
| N9 | C11 | C16 | H47 | 3.0° | 0.0° |
| N9 | C11 | C12 | H44 | 2.5° | 0.3° |
| C11 | N9 | C8 | H42 | 34.6° | 35.0° |
| C8 | C2 | C1 | C6 | 178.0° | 180.0° |
| C8 | C2 | C1 | F24 | 1.0° | 0.3° |
| C8 | C2 | C3 | H40 | 3.4° | 0.1° |
| C2 | C8 | N9 | H43 | 36.9° | 94.9° |
| C2 | C1 | C6 | C5 | 1.2° | 0.0° |
| C2 | C1 | C6 | F24 | 178.9° | 179.7° |
| C2 | C1 | C6 | O25 | 177.5° | 179.8° |
| C1 | C2 | C3 | H40 | 179.0° | 179.9° |
| C1 | C2 | C8 | H42 | 2.6° | 40.0° |
| C11 | C12 | C13 | H44 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.1° | 0.0° |
| C12 | C11 | C16 | C15 | 1.6° | 0.7° |
| C11 | C12 | C13 | H45 | 178.9° | 179.7° |
| C12 | C11 | C16 | H47 | 178.4° | 179.3° |
| C12 | C11 | N9 | H43 | 52.6° | 179.2° |
| C13 | C12 | C11 | C16 | 1.2° | 0.5° |
| C12 | C13 | C14 | H45 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 1.4° | 0.3° |
| C12 | C13 | C14 | C17 | 178.9° | 179.8° |
| C5 | C6 | C1 | O25 | 178.7° | 179.8° |
| C5 | C6 | C1 | F24 | 177.7° | 179.7° |
| C5 | C6 | O25 | C26 | 23.3° | 5.5° |
| C11 | C16 | C15 | H47 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 2.0° | 0.4° |
| C11 | C16 | C15 | H46 | 178.0° | 180.0° |
| C16 | C11 | C12 | H44 | 178.8° | 179.6° |
| C16 | C11 | N9 | H43 | 126.0° | 0.1° |
| C1 | C6 | O25 | C26 | 158.1° | 174.7° |
| C1 | C6 | C5 | H41 | 178.8° | 180.0° |
| F24 | C1 | C6 | O25 | 3.6° | 0.0° |
| C13 | C14 | C15 | C16 | 1.9° | 0.1° |
| C13 | C14 | C15 | C17 | 177.5° | 179.9° |
| C13 | C14 | C17 | N30 | 7.7° | 0.0° |
| C13 | C14 | C17 | N31 | 176.5° | 180.0° |
| C13 | C14 | C15 | H46 | 178.1° | 179.6° |
| C14 | C13 | C12 | H44 | 178.9° | 180.0° |
| C6 | O25 | C26 | C28 | 100.5° | 84.1° |
| C6 | O25 | C26 | C27 | 138.0° | 155.9° |
| O25 | C6 | C5 | H41 | 0.2° | 0.3° |
| C6 | O25 | C26 | H55 | 17.7° | 35.8° |
| C16 | C15 | C14 | H46 | 180.0° | 179.6° |
| C16 | C15 | C14 | C17 | 179.3° | 180.0° |
| O25 | C26 | C28 | C27 | 120.2° | 120.0° |
| O25 | C26 | C28 | H55 | 118.3° | 120.0° |
| O25 | C26 | C27 | H55 | 120.4° | 120.0° |
| O25 | C26 | C27 | H58 | 180.0° | 60.0° |
| O25 | C26 | C27 | H56 | 60.0° | 180.0° |
| O25 | C26 | C27 | H57 | 60.0° | 59.9° |
| O25 | C26 | C28 | H61 | 180.0° | 179.9° |
| O25 | C26 | C28 | H59 | 60.0° | 60.0° |
| O25 | C26 | C28 | H60 | 60.0° | 60.0° |
| C15 | C14 | C17 | N30 | 169.7° | 179.9° |
| C15 | C14 | C17 | N31 | 6.1° | 0.1° |
| C15 | C14 | C13 | H45 | 178.6° | 180.0° |
| C14 | C15 | C16 | H47 | 178.0° | 179.6° |
| C14 | C17 | N30 | N31 | 175.6° | 180.0° |
| C17 | C14 | C13 | H45 | 1.1° | 0.1° |
| C17 | C14 | C15 | H46 | 0.6° | 0.4° |
| C14 | C17 | N30 | H62 | 175.6° | 180.0° |
| C14 | C17 | N31 | H64 | 175.6° | 0.0° |
| C14 | C17 | N31 | H1 | 4.4° | 180.0° |
| C28 | C26 | C27 | H55 | 121.6° | 120.0° |
| C28 | C26 | C27 | H58 | 62.0° | 180.0° |
| C28 | C26 | C27 | H56 | 178.0° | 60.0° |
| C28 | C26 | C27 | H57 | 58.0° | 60.1° |
| C26 | C28 | H61 | H59 | 120.0° | 120.1° |
| C26 | C28 | H61 | H60 | 120.0° | 119.9° |
| C26 | C28 | H59 | H60 | 120.0° | 120.0° |
| C26 | C27 | H58 | H56 | 120.0° | 120.1° |
| C26 | C27 | H58 | H57 | 120.0° | 120.0° |
| C26 | C27 | H56 | H57 | 120.0° | 120.1° |
| C27 | C26 | C28 | H61 | 59.8° | 59.9° |
| C27 | C26 | C28 | H59 | 60.2° | 180.0° |
| C27 | C26 | C28 | H60 | 179.8° | 60.0° |
| N30 | C17 | N31 | H64 | 0.0° | 180.0° |
| N30 | C17 | N31 | H1 | 180.0° | 0.0° |
| N31 | C17 | N30 | H62 | 0.0° | 0.0° |
| C17 | N31 | H64 | H1 | 180.0° | 179.9° |
| H45 | C13 | C12 | H44 | 1.1° | 0.2° |
| H49 | C18 | C19 | H52 | 60.2° | 60.0° |
| H49 | C18 | C19 | H51 | 59.8° | 60.0° |
| H49 | C18 | C19 | H50 | 179.8° | 180.0° |
| H48 | C18 | C19 | H52 | 60.2° | 60.0° |
| H48 | C18 | C19 | H51 | 179.8° | 180.0° |
| H48 | C18 | C19 | H50 | 59.8° | 60.0° |
| H47 | C16 | C15 | H46 | 2.0° | 0.0° |
| H52 | C19 | H51 | H50 | 119.9° | 120.0° |
| H53 | C22 | N23 | H54 | 1.3° | 0.1° |
| H67 | C34 | C33 | H66 | 1.1° | 0.2° |
| H67 | C34 | C35 | H68 | 0.5° | 0.1° |
| H58 | C27 | H56 | H57 | 119.9° | 119.9° |
| H58 | C27 | C26 | H55 | 59.6° | 60.0° |
| H56 | C27 | C26 | H55 | 60.4° | 60.0° |
| H57 | C27 | C26 | H55 | 179.6° | 180.0° |
| H66 | C33 | C32 | H65 | 1.1° | 0.0° |
| H42 | C8 | N9 | H43 | 156.5° | 145.0° |
| H55 | C26 | C28 | H61 | 61.7° | 60.1° |
| H55 | C26 | C28 | H59 | 178.3° | 60.0° |
| H55 | C26 | C28 | H60 | 58.3° | 180.0° |
| H61 | C28 | H59 | H60 | 120.0° | 120.0° |
