UOH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | N35 | sing | 1.46Å | 1.46Å | |
| N34 | N35 | sing | 1.29Å | 1.35Å | Aromatic |
| N34 | C33 | doub | 1.31Å | 1.32Å | Aromatic |
| N35 | N37 | sing | 1.40Å | 1.33Å | Aromatic |
| C33 | C32 | sing | 1.40Å | 1.37Å | Aromatic |
| N37 | C32 | doub | 1.32Å | 1.33Å | Aromatic |
| C32 | N31 | sing | 1.40Å | 1.39Å | |
| N31 | C30 | sing | 1.39Å | 1.36Å | |
| C30 | N29 | doub | 1.32Å | 1.36Å | Aromatic |
| C30 | N38 | sing | 1.33Å | 1.35Å | Aromatic |
| N29 | C28 | sing | 1.33Å | 1.34Å | Aromatic |
| N38 | C39 | doub | 1.32Å | 1.32Å | Aromatic |
| C28 | C23 | sing | 1.48Å | 1.49Å | |
| C28 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.48Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C26 | N18 | sing | 1.34Å | 1.36Å | |
| C26 | O27 | doub | 1.22Å | 1.23Å | |
| N18 | C19 | sing | 1.47Å | 1.46Å | |
| N18 | C16 | sing | 1.47Å | 1.46Å | |
| C40 | CL1 | sing | 1.74Å | 1.73Å | |
| C16 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N13 | sing | 1.35Å | 1.34Å | |
| C14 | O15 | doub | 1.21Å | 1.24Å | |
| N13 | C10 | sing | 1.47Å | 1.46Å | |
| O12 | C11 | sing | 1.43Å | 1.42Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C9 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C8 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | F6 | sing | 1.35Å | 1.36Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H46 | sing | 1.09Å | 1.10Å | |
| C7 | H48 | sing | 1.08Å | 1.08Å | |
| C10 | H42 | sing | 1.09Å | 1.10Å | |
| C11 | H50 | sing | 1.09Å | 1.10Å | |
| C11 | H51 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H57 | sing | 1.09Å | 1.10Å | |
| C19 | H58 | sing | 1.09Å | 1.10Å | |
| C21 | H59 | sing | 1.08Å | 1.08Å | |
| C22 | H60 | sing | 1.08Å | 1.08Å | |
| C24 | H61 | sing | 1.08Å | 1.08Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.08Å | 1.08Å | |
| C4 | H47 | sing | 1.08Å | 1.08Å | |
| C9 | H49 | sing | 1.08Å | 1.08Å | |
| O12 | H52 | sing | 0.97Å | 0.95Å | |
| N13 | H53 | sing | 0.97Å | 1.00Å | |
| C17 | H54 | sing | 1.09Å | 1.10Å | |
| C17 | H56 | sing | 1.09Å | 1.10Å | |
| C17 | H55 | sing | 1.09Å | 1.10Å | |
| N31 | H62 | sing | 0.97Å | 1.00Å | |
| C33 | H63 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N35 | N34 | 122.5° | 125.7° |
| C36 | N35 | N37 | 122.3° | 125.7° |
| N35 | C36 | H65 | 109.5° | 109.5° |
| N35 | C36 | H64 | 109.5° | 109.5° |
| N35 | C36 | H66 | 109.5° | 109.5° |
| N35 | N34 | C33 | 103.6° | 109.7° |
| N34 | N35 | N37 | 115.2° | 108.6° |
| N34 | C33 | C32 | 108.2° | 108.2° |
| N34 | C33 | H63 | 125.9° | 125.9° |
| N35 | N37 | C32 | 102.0° | 106.8° |
| C33 | C32 | N37 | 110.9° | 106.6° |
| C33 | C32 | N31 | 129.4° | 126.7° |
| C32 | C33 | H63 | 125.9° | 125.9° |
| N37 | C32 | N31 | 119.6° | 126.7° |
| C32 | N31 | C30 | 131.5° | 120.0° |
| C32 | N31 | H62 | 114.2° | 120.0° |
| N31 | C30 | N29 | 117.2° | 119.1° |
| N31 | C30 | N38 | 116.5° | 119.2° |
| C30 | N31 | H62 | 114.3° | 120.0° |
| N29 | C30 | N38 | 126.2° | 121.7° |
| C30 | N29 | C28 | 117.5° | 120.6° |
| C30 | N38 | C39 | 115.8° | 121.0° |
| N29 | C28 | C23 | 114.7° | 120.5° |
| N29 | C28 | C40 | 118.8° | 119.0° |
| N38 | C39 | C40 | 121.6° | 119.2° |
| N38 | C39 | H67 | 119.2° | 120.4° |
| C23 | C28 | C40 | 126.5° | 120.5° |
| C28 | C23 | C22 | 119.2° | 120.0° |
| C28 | C23 | C24 | 122.4° | 120.0° |
| C28 | C40 | C39 | 120.1° | 118.5° |
| C28 | C40 | CL1 | 121.1° | 120.8° |
| C22 | C23 | C24 | 118.4° | 120.0° |
| C23 | C22 | C21 | 120.9° | 120.1° |
| C23 | C22 | H60 | 119.5° | 120.0° |
| C23 | C24 | C25 | 120.0° | 119.8° |
| C23 | C24 | H61 | 120.0° | 120.1° |
| C22 | C21 | C20 | 120.1° | 120.2° |
| C22 | C21 | H59 | 120.0° | 119.9° |
| C21 | C22 | H60 | 119.5° | 120.0° |
| C17 | C16 | N18 | 112.4° | 109.5° |
| C17 | C16 | C14 | 112.1° | 109.5° |
| C17 | C16 | H43 | 107.1° | 109.5° |
| C16 | C17 | H54 | 109.5° | 109.5° |
| C16 | C17 | H56 | 109.5° | 109.5° |
| C16 | C17 | H55 | 109.5° | 109.5° |
| C24 | C25 | C20 | 120.8° | 119.5° |
| C24 | C25 | C26 | 131.0° | 132.3° |
| C25 | C24 | H61 | 120.0° | 120.1° |
| C21 | C20 | C25 | 119.8° | 120.5° |
| C21 | C20 | C19 | 130.2° | 133.1° |
| C20 | C21 | H59 | 120.0° | 119.9° |
| C39 | C40 | CL1 | 118.8° | 120.8° |
| C40 | C39 | H67 | 119.2° | 120.4° |
| C20 | C25 | C26 | 108.1° | 108.2° |
| C25 | C20 | C19 | 110.0° | 106.4° |
| C25 | C26 | N18 | 106.3° | 110.3° |
| C25 | C26 | O27 | 128.9° | 124.8° |
| C20 | C19 | N18 | 101.9° | 106.2° |
| C20 | C19 | H57 | 111.3° | 110.1° |
| C20 | C19 | H58 | 111.3° | 110.1° |
| N18 | C26 | O27 | 124.9° | 124.9° |
| C26 | N18 | C19 | 113.4° | 108.8° |
| C26 | N18 | C16 | 122.9° | 125.6° |
| C19 | N18 | C16 | 123.0° | 125.6° |
| N18 | C19 | H57 | 111.3° | 110.1° |
| N18 | C19 | H58 | 111.3° | 110.1° |
| N18 | C16 | C14 | 109.9° | 109.5° |
| N18 | C16 | H43 | 108.0° | 109.5° |
| C16 | C14 | N13 | 114.2° | 120.0° |
| C16 | C14 | O15 | 121.5° | 120.0° |
| C14 | C16 | H43 | 107.1° | 109.5° |
| N13 | C14 | O15 | 124.3° | 120.0° |
| C14 | N13 | C10 | 125.5° | 120.0° |
| C14 | N13 | H53 | 117.2° | 120.0° |
| N13 | C10 | C11 | 108.8° | 109.5° |
| N13 | C10 | C8 | 113.0° | 109.5° |
| N13 | C10 | H42 | 109.0° | 109.5° |
| C10 | N13 | H53 | 117.2° | 120.0° |
| O12 | C11 | C10 | 110.6° | 109.5° |
| O12 | C11 | H50 | 109.2° | 109.4° |
| O12 | C11 | H51 | 109.2° | 109.5° |
| C11 | O12 | H52 | 109.5° | 114.0° |
| C1 | O2 | C3 | 118.0° | 116.9° |
| O2 | C1 | H45 | 109.5° | 109.5° |
| O2 | C1 | H44 | 109.4° | 109.4° |
| O2 | C1 | H46 | 109.4° | 109.5° |
| O2 | C3 | C9 | 116.8° | 120.0° |
| O2 | C3 | C4 | 123.5° | 120.1° |
| C3 | C9 | C8 | 121.2° | 120.0° |
| C9 | C3 | C4 | 119.7° | 119.9° |
| C3 | C9 | H49 | 119.4° | 120.0° |
| C9 | C8 | C10 | 120.4° | 120.0° |
| C9 | C8 | C7 | 118.4° | 120.1° |
| C8 | C9 | H49 | 119.4° | 120.0° |
| C11 | C10 | C8 | 109.5° | 109.4° |
| C11 | C10 | H42 | 108.2° | 109.4° |
| C10 | C11 | H50 | 109.2° | 109.4° |
| C10 | C11 | H51 | 109.2° | 109.5° |
| C10 | C8 | C7 | 121.1° | 120.0° |
| C8 | C10 | H42 | 108.2° | 109.5° |
| C3 | C4 | C5 | 118.5° | 119.9° |
| C3 | C4 | H47 | 120.8° | 120.0° |
| C8 | C7 | C5 | 119.5° | 120.1° |
| C8 | C7 | H48 | 120.3° | 120.0° |
| C4 | C5 | C7 | 122.7° | 120.0° |
| C4 | C5 | F6 | 118.6° | 120.0° |
| C5 | C4 | H47 | 120.8° | 120.1° |
| C7 | C5 | F6 | 118.7° | 120.0° |
| C5 | C7 | H48 | 120.3° | 119.9° |
| H45 | C1 | H44 | 109.5° | 109.5° |
| H45 | C1 | H46 | 109.5° | 109.5° |
| H44 | C1 | H46 | 109.5° | 109.5° |
| H50 | C11 | H51 | 109.5° | 109.5° |
| H57 | C19 | H58 | 109.5° | 110.1° |
| H65 | C36 | H64 | 109.5° | 109.5° |
| H65 | C36 | H66 | 109.5° | 109.4° |
| H64 | C36 | H66 | 109.5° | 109.4° |
| H54 | C17 | H56 | 109.4° | 109.5° |
| H54 | C17 | H55 | 109.5° | 109.4° |
| H56 | C17 | H55 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | N35 | N34 | N37 | 179.1° | 179.8° |
| C36 | N35 | N34 | C33 | 179.0° | 180.0° |
| C36 | N35 | N37 | C32 | 179.7° | 179.9° |
| N35 | C36 | H65 | H64 | 120.0° | 120.0° |
| N35 | C36 | H65 | H66 | 120.0° | 120.0° |
| N35 | C36 | H64 | H66 | 120.0° | 120.0° |
| N35 | N34 | C33 | C32 | 0.7° | 0.1° |
| N34 | N35 | N37 | C32 | 0.6° | 0.4° |
| N34 | N35 | C36 | H65 | 0.0° | 90.0° |
| N34 | N35 | C36 | H64 | 120.0° | 150.0° |
| N34 | N35 | C36 | H66 | 120.0° | 30.0° |
| N35 | N34 | C33 | H63 | 179.3° | 180.0° |
| C33 | N34 | N35 | N37 | 0.1° | 0.3° |
| N34 | C33 | C32 | H63 | 180.0° | 179.9° |
| N34 | C33 | C32 | N37 | 1.2° | 0.2° |
| N34 | C33 | C32 | N31 | 179.3° | 180.0° |
| N35 | N37 | C32 | C33 | 1.1° | 0.3° |
| N35 | N37 | C32 | N31 | 179.4° | 179.9° |
| N37 | N35 | C36 | H65 | 179.0° | 89.7° |
| N37 | N35 | C36 | H64 | 59.0° | 30.3° |
| N37 | N35 | C36 | H66 | 61.0° | 150.3° |
| C33 | C32 | N37 | N31 | 179.6° | 179.8° |
| C33 | C32 | N31 | C30 | 18.4° | 0.0° |
| C33 | C32 | N31 | H62 | 161.6° | 179.9° |
| N37 | C32 | N31 | C30 | 161.0° | 179.7° |
| N37 | C32 | N31 | H62 | 19.0° | 0.4° |
| N37 | C32 | C33 | H63 | 178.8° | 179.7° |
| C32 | N31 | C30 | H62 | 180.0° | 179.9° |
| C32 | N31 | C30 | N29 | 4.0° | 180.0° |
| C32 | N31 | C30 | N38 | 177.9° | 0.0° |
| N31 | C32 | C33 | H63 | 0.7° | 0.0° |
| N31 | C30 | N29 | N38 | 177.9° | 180.0° |
| N31 | C30 | N29 | C28 | 178.6° | 180.0° |
| N31 | C30 | N38 | C39 | 177.9° | 179.7° |
| N29 | C30 | N38 | C39 | 0.0° | 0.3° |
| C30 | N29 | C28 | C23 | 179.1° | 180.0° |
| C30 | N29 | C28 | C40 | 1.0° | 0.3° |
| N29 | C30 | N31 | H62 | 176.0° | 0.1° |
| N38 | C30 | N29 | C28 | 0.7° | 0.0° |
| C30 | N38 | C39 | C40 | 0.4° | 0.3° |
| C30 | N38 | C39 | H67 | 179.6° | 179.8° |
| N38 | C30 | N31 | H62 | 2.1° | 179.9° |
| N29 | C28 | C23 | C40 | 177.9° | 179.7° |
| N29 | C28 | C23 | C22 | 33.2° | 144.7° |
| N29 | C28 | C23 | C24 | 146.7° | 35.4° |
| N29 | C28 | C40 | C39 | 0.7° | 0.3° |
| N29 | C28 | C40 | CL1 | 178.7° | 179.8° |
| N38 | C39 | C40 | C28 | 0.0° | 0.0° |
| N38 | C39 | C40 | H67 | 180.0° | 179.9° |
| N38 | C39 | C40 | CL1 | 179.4° | 180.0° |
| C28 | C23 | C22 | C24 | 179.9° | 179.9° |
| C28 | C23 | C22 | C21 | 179.3° | 180.0° |
| C28 | C23 | C24 | C25 | 179.6° | 180.0° |
| C23 | C28 | C40 | C39 | 178.5° | 180.0° |
| C23 | C28 | C40 | CL1 | 0.9° | 0.0° |
| C28 | C23 | C22 | H60 | 0.7° | 0.0° |
| C28 | C23 | C24 | H61 | 0.4° | 0.1° |
| C40 | C28 | C23 | C22 | 144.7° | 35.0° |
| C40 | C28 | C23 | C24 | 35.4° | 144.9° |
| C28 | C40 | C39 | CL1 | 179.4° | 180.0° |
| C28 | C40 | C39 | H67 | 180.0° | 179.9° |
| C23 | C22 | C21 | H60 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.5° | 0.1° |
| C23 | C22 | C21 | C20 | 1.0° | 0.0° |
| C23 | C22 | C21 | H59 | 179.0° | 180.0° |
| C22 | C23 | C24 | H61 | 179.5° | 180.0° |
| C24 | C23 | C22 | C21 | 0.6° | 0.1° |
| C23 | C24 | C25 | H61 | 180.0° | 179.9° |
| C23 | C24 | C25 | C20 | 1.3° | 0.1° |
| C23 | C24 | C25 | C26 | 179.9° | 179.9° |
| C24 | C23 | C22 | H60 | 179.4° | 179.9° |
| C22 | C21 | C20 | H59 | 180.0° | 179.9° |
| C22 | C21 | C20 | C25 | 0.2° | 0.0° |
| C22 | C21 | C20 | C19 | 179.4° | 179.5° |
| C17 | C16 | N18 | C26 | 159.5° | 59.7° |
| C17 | C16 | N18 | C19 | 30.8° | 120.0° |
| C17 | C16 | N18 | C14 | 125.6° | 120.0° |
| C17 | C16 | N18 | H43 | 117.9° | 120.0° |
| C17 | C16 | C14 | H43 | 117.2° | 120.0° |
| C17 | C16 | C14 | N13 | 63.0° | 60.0° |
| C17 | C16 | C14 | O15 | 117.1° | 120.0° |
| C16 | C17 | H54 | H56 | 120.0° | 120.0° |
| C16 | C17 | H54 | H55 | 120.0° | 120.0° |
| C16 | C17 | H56 | H55 | 120.0° | 120.0° |
| C24 | C25 | C20 | C21 | 1.0° | 0.0° |
| C24 | C25 | C20 | C26 | 179.0° | 180.0° |
| C24 | C25 | C20 | C19 | 179.4° | 179.6° |
| C24 | C25 | C26 | N18 | 175.3° | 179.8° |
| C24 | C25 | C26 | O27 | 4.7° | 0.0° |
| C21 | C20 | C25 | C19 | 179.6° | 179.6° |
| C21 | C20 | C25 | C26 | 180.0° | 180.0° |
| C21 | C20 | C19 | N18 | 176.6° | 179.9° |
| C21 | C20 | C19 | H57 | 64.6° | 60.9° |
| C21 | C20 | C19 | H58 | 57.8° | 60.7° |
| C20 | C21 | C22 | H60 | 179.0° | 180.0° |
| C20 | C25 | C26 | N18 | 3.6° | 0.2° |
| C20 | C25 | C26 | O27 | 176.5° | 180.0° |
| C25 | C20 | C19 | N18 | 3.8° | 0.4° |
| C25 | C20 | C19 | H57 | 114.9° | 119.6° |
| C25 | C20 | C19 | H58 | 122.6° | 118.8° |
| C25 | C20 | C21 | H59 | 179.8° | 179.9° |
| C20 | C25 | C24 | H61 | 178.7° | 180.0° |
| C26 | C25 | C20 | C19 | 0.4° | 0.4° |
| C25 | C26 | N18 | O27 | 180.0° | 179.7° |
| C25 | C26 | N18 | C19 | 6.4° | 0.0° |
| C25 | C26 | N18 | C16 | 177.0° | 179.7° |
| C26 | C25 | C24 | H61 | 0.1° | 0.0° |
| C20 | C19 | N18 | C26 | 6.4° | 0.2° |
| C20 | C19 | N18 | H57 | 118.8° | 119.2° |
| C20 | C19 | N18 | H58 | 118.8° | 119.2° |
| C20 | C19 | N18 | C16 | 177.0° | 180.0° |
| C20 | C19 | H57 | H58 | 123.5° | 121.6° |
| C19 | C20 | C21 | H59 | 0.6° | 0.6° |
| C26 | N18 | C19 | C16 | 170.6° | 179.7° |
| C26 | N18 | C16 | C14 | 74.9° | 60.4° |
| C26 | N18 | C16 | H43 | 41.6° | 179.7° |
| C26 | N18 | C19 | H57 | 112.4° | 119.5° |
| C26 | N18 | C19 | H58 | 125.1° | 118.9° |
| O27 | C26 | N18 | C19 | 173.7° | 179.7° |
| O27 | C26 | N18 | C16 | 3.1° | 0.0° |
| C19 | N18 | C16 | C14 | 94.8° | 120.0° |
| C19 | N18 | C16 | H43 | 148.7° | 0.0° |
| N18 | C19 | H57 | H58 | 123.5° | 121.6° |
| N18 | C16 | C14 | H43 | 117.0° | 120.0° |
| N18 | C16 | C14 | N13 | 171.2° | 180.0° |
| N18 | C16 | C14 | O15 | 8.7° | 0.0° |
| C16 | N18 | C19 | H57 | 58.2° | 60.8° |
| C16 | N18 | C19 | H58 | 64.3° | 60.8° |
| N18 | C16 | C17 | H54 | 180.0° | 60.1° |
| N18 | C16 | C17 | H56 | 60.0° | 60.0° |
| N18 | C16 | C17 | H55 | 60.0° | 180.0° |
| CL1 | C40 | C39 | H67 | 0.6° | 0.1° |
| C16 | C14 | N13 | O15 | 179.9° | 180.0° |
| C16 | C14 | N13 | C10 | 180.0° | 180.0° |
| C16 | C14 | N13 | H53 | 0.1° | 0.0° |
| C14 | C16 | C17 | H54 | 55.6° | 60.0° |
| C14 | C16 | C17 | H56 | 64.4° | 180.0° |
| C14 | C16 | C17 | H55 | 175.6° | 60.0° |
| C14 | N13 | C10 | H53 | 180.0° | 180.0° |
| C14 | N13 | C10 | C11 | 131.0° | 85.0° |
| C14 | N13 | C10 | C8 | 107.1° | 155.0° |
| C14 | N13 | C10 | H42 | 13.2° | 34.9° |
| N13 | C14 | C16 | H43 | 54.2° | 60.0° |
| O15 | C14 | N13 | C10 | 0.1° | 0.1° |
| O15 | C14 | C16 | H43 | 125.8° | 120.0° |
| O15 | C14 | N13 | H53 | 179.9° | 179.9° |
| N13 | C10 | C11 | O12 | 64.9° | 64.9° |
| N13 | C10 | C8 | C9 | 18.6° | 140.9° |
| N13 | C10 | C11 | C8 | 124.0° | 120.0° |
| N13 | C10 | C11 | H42 | 118.3° | 120.0° |
| N13 | C10 | C8 | H42 | 120.8° | 120.1° |
| N13 | C10 | C8 | C7 | 164.3° | 39.9° |
| N13 | C10 | C11 | H50 | 174.9° | 55.0° |
| N13 | C10 | C11 | H51 | 55.2° | 175.0° |
| O12 | C11 | C10 | H50 | 120.1° | 119.9° |
| O12 | C11 | C10 | H51 | 120.2° | 120.1° |
| O12 | C11 | C10 | C8 | 59.1° | 55.1° |
| O12 | C11 | C10 | H42 | 176.8° | 175.0° |
| O12 | C11 | H50 | H51 | 119.5° | 120.1° |
| C1 | O2 | C3 | C9 | 166.3° | 179.7° |
| C1 | O2 | C3 | C4 | 12.3° | 0.0° |
| O2 | C1 | H45 | H44 | 120.0° | 120.0° |
| O2 | C1 | H45 | H46 | 120.0° | 120.0° |
| O2 | C1 | H44 | H46 | 120.0° | 120.0° |
| O2 | C3 | C9 | C4 | 178.7° | 179.7° |
| O2 | C3 | C9 | C8 | 179.5° | 179.7° |
| O2 | C3 | C4 | C5 | 179.7° | 180.0° |
| C3 | O2 | C1 | H45 | 180.0° | 60.0° |
| C3 | O2 | C1 | H44 | 60.0° | 179.9° |
| C3 | O2 | C1 | H46 | 60.0° | 60.0° |
| O2 | C3 | C4 | H47 | 0.3° | 0.1° |
| O2 | C3 | C9 | H49 | 0.5° | 0.3° |
| C3 | C9 | C8 | H49 | 180.0° | 180.0° |
| C3 | C9 | C8 | C10 | 179.2° | 179.7° |
| C3 | C9 | C8 | C7 | 2.0° | 0.5° |
| C9 | C3 | C4 | C5 | 1.1° | 0.3° |
| C9 | C3 | C4 | H47 | 178.9° | 179.7° |
| C9 | C8 | C10 | C11 | 102.9° | 99.2° |
| C9 | C8 | C10 | C7 | 177.1° | 179.2° |
| C8 | C9 | C3 | C4 | 1.8° | 0.0° |
| C9 | C8 | C7 | C5 | 1.5° | 0.8° |
| C9 | C8 | C7 | H48 | 178.5° | 179.7° |
| C9 | C8 | C10 | H42 | 139.4° | 20.8° |
| C11 | C10 | C8 | H42 | 117.7° | 120.0° |
| C11 | C10 | C8 | C7 | 74.2° | 80.0° |
| C10 | C11 | H50 | H51 | 119.5° | 120.0° |
| C10 | C11 | O12 | H52 | 180.0° | 180.0° |
| C11 | C10 | N13 | H53 | 49.0° | 95.0° |
| C10 | C8 | C7 | C5 | 178.7° | 180.0° |
| C10 | C8 | C7 | H48 | 1.3° | 0.4° |
| C8 | C10 | C11 | H50 | 61.1° | 175.0° |
| C8 | C10 | C11 | H51 | 179.2° | 65.0° |
| C10 | C8 | C9 | H49 | 0.8° | 0.3° |
| C8 | C10 | N13 | H53 | 72.9° | 25.0° |
| C3 | C4 | C5 | H47 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 0.7° | 0.1° |
| C3 | C4 | C5 | F6 | 178.5° | 180.0° |
| C4 | C3 | C9 | H49 | 178.2° | 179.9° |
| C8 | C7 | C5 | C4 | 0.9° | 0.5° |
| C8 | C7 | C5 | H48 | 180.0° | 179.6° |
| C8 | C7 | C5 | F6 | 178.3° | 179.5° |
| C7 | C8 | C10 | H42 | 43.5° | 160.0° |
| C7 | C8 | C9 | H49 | 178.0° | 179.5° |
| C4 | C5 | C7 | F6 | 179.2° | 180.0° |
| C4 | C5 | C7 | H48 | 179.1° | 179.9° |
| C7 | C5 | C4 | H47 | 179.3° | 180.0° |
| F6 | C5 | C7 | H48 | 1.7° | 0.1° |
| F6 | C5 | C4 | H47 | 1.4° | 0.0° |
| H45 | C1 | H44 | H46 | 120.0° | 120.0° |
| H42 | C10 | C11 | H50 | 56.7° | 65.1° |
| H42 | C10 | C11 | H51 | 63.0° | 55.0° |
| H42 | C10 | N13 | H53 | 166.7° | 145.1° |
| H50 | C11 | O12 | H52 | 59.9° | 60.1° |
| H51 | C11 | O12 | H52 | 59.8° | 60.0° |
| H43 | C16 | C17 | H54 | 61.6° | 180.0° |
| H43 | C16 | C17 | H56 | 178.4° | 60.0° |
| H43 | C16 | C17 | H55 | 58.4° | 60.0° |
| H59 | C21 | C22 | H60 | 1.0° | 0.1° |
| H65 | C36 | H64 | H66 | 120.0° | 119.9° |
| H54 | C17 | H56 | H55 | 120.0° | 119.9° |
