WUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F26 | C25 | sing | 1.35Å | 1.35Å | |
| C25 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.36Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.37Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| C28 | C29 | doub | 1.40Å | 1.42Å | Aromatic |
| C23 | C29 | sing | 1.42Å | 1.43Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.37Å | Aromatic |
| C30 | O32 | sing | 1.36Å | 1.34Å | |
| C30 | C31 | doub | 1.37Å | 1.41Å | Aromatic |
| O32 | C33 | sing | 1.43Å | 1.44Å | |
| C21 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | doub | 1.36Å | 1.36Å | Aromatic |
| C38 | C37 | sing | 1.40Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| C39 | C40 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C37 | C36 | sing | 1.42Å | 1.42Å | Aromatic |
| C37 | C43 | doub | 1.41Å | 1.42Å | Aromatic |
| C36 | C46 | doub | 1.36Å | 1.36Å | Aromatic |
| C40 | CL41 | sing | 1.74Å | 1.72Å | |
| C40 | C42 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| C18 | N50 | sing | 1.35Å | 1.35Å | Aromatic |
| C43 | C42 | sing | 1.41Å | 1.43Å | Aromatic |
| C43 | N44 | sing | 1.37Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C46 | C47 | sing | 1.47Å | 1.47Å | |
| C46 | N44 | sing | 1.39Å | 1.40Å | Aromatic |
| C42 | C11 | sing | 1.47Å | 1.48Å | |
| O48 | C47 | doub | 1.22Å | 1.22Å | |
| C47 | O49 | sing | 1.35Å | 1.33Å | |
| N44 | C45 | sing | 1.46Å | 1.48Å | |
| C10 | N9 | sing | 1.47Å | 1.47Å | |
| N50 | C51 | sing | 1.47Å | 1.47Å | |
| N50 | N52 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | N52 | doub | 1.31Å | 1.31Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C11 | N9 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| N9 | N8 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | S14 | sing | 1.81Å | 1.83Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | S14 | sing | 1.81Å | 1.81Å | |
| N8 | C7 | doub | 1.31Å | 1.30Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| O5 | C6 | sing | 1.43Å | 1.45Å | |
| O5 | C4 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.08Å | 1.08Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| C45 | H37 | sing | 1.09Å | 1.10Å | |
| O49 | H38 | sing | 0.97Å | 0.95Å | |
| C51 | H39 | sing | 1.09Å | 1.10Å | |
| C51 | H40 | sing | 1.09Å | 1.10Å | |
| C51 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F26 | C25 | C27 | 119.7° | 119.6° |
| F26 | C25 | C24 | 119.4° | 119.5° |
| C27 | C25 | C24 | 120.9° | 120.9° |
| C25 | C27 | C28 | 121.3° | 120.9° |
| C25 | C27 | H16 | 119.3° | 119.4° |
| C25 | C24 | C23 | 118.7° | 119.6° |
| C25 | C24 | H15 | 120.7° | 120.2° |
| C27 | C28 | C29 | 120.4° | 119.8° |
| C28 | C27 | H16 | 119.3° | 119.7° |
| C27 | C28 | H34 | 119.8° | 119.9° |
| C24 | C23 | C29 | 120.7° | 119.6° |
| C24 | C23 | C22 | 119.6° | 120.9° |
| C23 | C24 | H15 | 120.6° | 120.3° |
| C28 | C29 | C23 | 117.9° | 119.2° |
| C28 | C29 | C30 | 122.4° | 121.5° |
| C29 | C28 | H34 | 119.8° | 120.2° |
| C29 | C23 | C22 | 119.6° | 119.5° |
| C23 | C29 | C30 | 119.7° | 119.3° |
| C23 | C22 | C21 | 119.3° | 119.6° |
| C23 | C22 | H33 | 120.3° | 120.1° |
| C29 | C30 | O32 | 119.2° | 120.4° |
| C29 | C30 | C31 | 118.4° | 119.4° |
| C22 | C21 | C31 | 121.6° | 121.1° |
| C22 | C21 | C20 | 120.2° | 118.7° |
| C21 | C22 | H33 | 120.3° | 120.2° |
| O32 | C30 | C31 | 122.4° | 120.2° |
| C30 | O32 | C33 | 121.6° | 117.1° |
| C30 | C31 | C21 | 121.4° | 121.0° |
| C30 | C31 | H17 | 119.3° | 119.3° |
| O32 | C33 | C34 | 108.7° | 109.7° |
| O32 | C33 | H18 | 109.6° | 109.4° |
| O32 | C33 | H19 | 109.7° | 109.3° |
| C31 | C21 | C20 | 118.2° | 120.2° |
| C21 | C31 | H17 | 119.3° | 119.6° |
| C21 | C20 | C19 | 108.5° | 110.2° |
| C21 | C20 | H31 | 109.7° | 109.0° |
| C21 | C20 | H32 | 109.7° | 109.6° |
| C20 | C19 | C18 | 113.8° | 108.6° |
| C20 | C19 | H13 | 108.4° | 109.3° |
| C20 | C19 | H14 | 108.3° | 109.6° |
| C19 | C20 | H31 | 109.7° | 109.0° |
| C19 | C20 | H32 | 109.7° | 109.6° |
| C39 | C38 | C37 | 120.6° | 119.9° |
| C38 | C39 | C40 | 120.5° | 120.4° |
| C39 | C38 | H24 | 119.7° | 120.3° |
| C38 | C39 | H25 | 119.8° | 119.9° |
| C38 | C37 | C36 | 133.7° | 132.5° |
| C38 | C37 | C43 | 119.1° | 120.1° |
| C37 | C38 | H24 | 119.7° | 119.8° |
| C33 | C34 | C35 | 110.6° | 109.4° |
| C34 | C33 | H18 | 109.7° | 109.4° |
| C34 | C33 | H19 | 109.7° | 109.4° |
| C33 | C34 | H20 | 109.2° | 109.7° |
| C33 | C34 | H21 | 109.2° | 109.6° |
| C34 | C35 | C36 | 115.1° | 110.0° |
| C35 | C34 | H20 | 109.2° | 109.4° |
| C35 | C34 | H21 | 109.2° | 109.3° |
| C34 | C35 | H22 | 108.0° | 109.1° |
| C34 | C35 | H23 | 108.1° | 109.7° |
| C35 | C36 | C37 | 124.9° | 125.6° |
| C35 | C36 | C46 | 127.1° | 127.3° |
| C36 | C35 | H22 | 108.1° | 109.0° |
| C36 | C35 | H23 | 108.0° | 109.9° |
| C39 | C40 | CL41 | 117.5° | 118.7° |
| C39 | C40 | C42 | 121.9° | 121.3° |
| C40 | C39 | H25 | 119.8° | 119.7° |
| C19 | C18 | C17 | 128.7° | 124.9° |
| C19 | C18 | N50 | 125.2° | 127.3° |
| C18 | C19 | H13 | 108.3° | 109.5° |
| C18 | C19 | H14 | 108.4° | 110.6° |
| C36 | C37 | C43 | 107.2° | 107.4° |
| C37 | C36 | C46 | 108.0° | 107.1° |
| C37 | C43 | C42 | 119.3° | 118.7° |
| C37 | C43 | N44 | 106.8° | 106.5° |
| C36 | C46 | C47 | 126.4° | 126.3° |
| C36 | C46 | N44 | 108.2° | 109.0° |
| CL41 | C40 | C42 | 120.6° | 119.9° |
| C40 | C42 | C43 | 118.6° | 118.8° |
| C40 | C42 | C11 | 119.9° | 120.4° |
| C17 | C18 | N50 | 106.1° | 107.8° |
| C18 | C17 | C16 | 107.9° | 107.9° |
| C18 | C17 | H12 | 126.0° | 125.7° |
| C18 | N50 | C51 | 125.9° | 126.7° |
| C18 | N50 | N52 | 109.9° | 107.8° |
| C42 | C43 | N44 | 133.9° | 134.8° |
| C43 | C42 | C11 | 121.3° | 120.8° |
| C43 | N44 | C46 | 109.8° | 109.1° |
| C43 | N44 | C45 | 124.9° | 127.1° |
| C17 | C16 | N52 | 107.5° | 108.1° |
| C17 | C16 | C15 | 131.1° | 125.8° |
| C16 | C17 | H12 | 126.1° | 126.4° |
| C47 | C46 | N44 | 125.4° | 124.7° |
| C46 | C47 | O48 | 124.2° | 120.0° |
| C46 | C47 | O49 | 117.8° | 120.0° |
| C46 | N44 | C45 | 125.2° | 123.8° |
| C42 | C11 | N9 | 120.6° | 127.8° |
| C42 | C11 | C12 | 133.3° | 125.5° |
| O48 | C47 | O49 | 118.0° | 120.0° |
| C47 | O49 | H38 | 109.5° | 117.0° |
| N44 | C45 | H35 | 109.5° | 109.5° |
| N44 | C45 | H36 | 109.5° | 109.5° |
| N44 | C45 | H37 | 109.5° | 109.4° |
| C10 | N9 | C11 | 129.3° | 126.8° |
| C10 | N9 | N8 | 122.7° | 124.8° |
| N9 | C10 | H26 | 109.5° | 109.5° |
| N9 | C10 | H27 | 109.5° | 109.4° |
| N9 | C10 | H28 | 109.5° | 109.4° |
| C51 | N50 | N52 | 124.2° | 125.5° |
| N50 | C51 | H39 | 109.5° | 109.5° |
| N50 | C51 | H40 | 109.5° | 109.5° |
| N50 | C51 | H41 | 109.5° | 109.5° |
| N50 | N52 | C16 | 108.5° | 108.4° |
| N52 | C16 | C15 | 121.4° | 126.0° |
| C16 | C15 | S14 | 112.6° | 109.7° |
| C16 | C15 | H10 | 108.7° | 109.2° |
| C16 | C15 | H11 | 108.7° | 109.4° |
| N9 | C11 | C12 | 106.1° | 106.7° |
| C11 | N9 | N8 | 108.0° | 108.5° |
| C11 | C12 | C13 | 125.5° | 125.1° |
| C11 | C12 | C7 | 108.3° | 107.8° |
| N9 | N8 | C7 | 108.8° | 108.2° |
| C15 | S14 | C13 | 104.0° | 103.1° |
| S14 | C15 | H10 | 108.7° | 109.5° |
| S14 | C15 | H11 | 108.7° | 109.7° |
| C13 | C12 | C7 | 126.2° | 127.1° |
| C12 | C13 | S14 | 112.3° | 110.0° |
| C12 | C13 | H29 | 108.8° | 109.8° |
| C12 | C13 | H30 | 108.8° | 109.5° |
| C12 | C7 | N8 | 108.8° | 108.8° |
| C12 | C7 | C6 | 127.9° | 127.0° |
| S14 | C13 | H29 | 108.8° | 109.4° |
| S14 | C13 | H30 | 108.8° | 109.3° |
| N8 | C7 | C6 | 123.3° | 124.2° |
| C7 | C6 | O5 | 95.9° | 109.5° |
| C7 | C6 | H8 | 112.8° | 109.5° |
| C7 | C6 | H9 | 112.7° | 109.5° |
| C1 | O2 | C3 | 116.2° | 113.9° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.4° |
| O2 | C3 | C4 | 110.0° | 109.4° |
| O2 | C3 | H4 | 109.3° | 109.5° |
| O2 | C3 | H5 | 109.4° | 109.5° |
| C6 | O5 | C4 | 115.7° | 114.0° |
| O5 | C6 | H8 | 112.7° | 109.4° |
| O5 | C6 | H9 | 112.7° | 109.5° |
| O5 | C4 | C3 | 115.1° | 109.5° |
| O5 | C4 | H6 | 108.0° | 109.4° |
| O5 | C4 | H7 | 108.1° | 109.5° |
| C4 | C3 | H4 | 109.3° | 109.4° |
| C4 | C3 | H5 | 109.3° | 109.5° |
| C3 | C4 | H6 | 108.0° | 109.5° |
| C3 | C4 | H7 | 108.0° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.4° | 109.3° |
| H13 | C19 | H14 | 109.5° | 109.3° |
| H18 | C33 | H19 | 109.5° | 109.6° |
| H20 | C34 | H21 | 109.4° | 109.3° |
| H22 | C35 | H23 | 109.5° | 109.2° |
| H26 | C10 | H27 | 109.5° | 109.5° |
| H26 | C10 | H28 | 109.4° | 109.5° |
| H27 | C10 | H28 | 109.5° | 109.5° |
| H29 | C13 | H30 | 109.5° | 108.9° |
| H31 | C20 | H32 | 109.5° | 109.4° |
| H35 | C45 | H36 | 109.5° | 109.5° |
| H35 | C45 | H37 | 109.4° | 109.4° |
| H36 | C45 | H37 | 109.5° | 109.5° |
| H39 | C51 | H40 | 109.4° | 109.4° |
| H39 | C51 | H41 | 109.5° | 109.5° |
| H40 | C51 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F26 | C25 | C27 | C24 | 179.2° | 179.9° |
| F26 | C25 | C27 | C28 | 179.4° | 180.0° |
| F26 | C25 | C24 | C23 | 178.2° | 179.6° |
| F26 | C25 | C24 | H15 | 1.8° | 0.3° |
| F26 | C25 | C27 | H16 | 0.6° | 0.0° |
| C25 | C27 | C28 | H16 | 180.0° | 180.0° |
| C27 | C25 | C24 | C23 | 1.0° | 0.4° |
| C25 | C27 | C28 | C29 | 1.4° | 0.3° |
| C27 | C25 | C24 | H15 | 179.0° | 179.6° |
| C25 | C27 | C28 | H34 | 178.6° | 179.6° |
| C24 | C25 | C27 | C28 | 0.2° | 0.1° |
| C25 | C24 | C23 | H15 | 180.0° | 179.9° |
| C25 | C24 | C23 | C29 | 1.1° | 0.4° |
| C25 | C24 | C23 | C22 | 178.9° | 179.4° |
| C24 | C25 | C27 | H16 | 179.8° | 179.9° |
| C27 | C28 | C29 | H34 | 180.0° | 179.9° |
| C27 | C28 | C29 | C23 | 1.3° | 0.3° |
| C27 | C28 | C29 | C30 | 179.0° | 179.8° |
| C24 | C23 | C29 | C28 | 0.0° | 0.1° |
| C24 | C23 | C29 | C22 | 180.0° | 179.8° |
| C24 | C23 | C29 | C30 | 179.8° | 179.8° |
| C24 | C23 | C22 | C21 | 179.3° | 179.9° |
| C24 | C23 | C22 | H33 | 0.7° | 0.3° |
| C28 | C29 | C23 | C30 | 179.8° | 179.9° |
| C28 | C29 | C23 | C22 | 180.0° | 179.8° |
| C28 | C29 | C30 | O32 | 0.1° | 0.1° |
| C28 | C29 | C30 | C31 | 179.4° | 179.8° |
| C29 | C28 | C27 | H16 | 178.7° | 179.7° |
| C29 | C23 | C22 | C21 | 0.7° | 0.3° |
| C23 | C29 | C30 | O32 | 179.9° | 180.0° |
| C23 | C29 | C30 | C31 | 0.8° | 0.1° |
| C29 | C23 | C24 | H15 | 178.9° | 179.6° |
| C29 | C23 | C22 | H33 | 179.3° | 179.6° |
| C23 | C29 | C28 | H34 | 178.7° | 179.6° |
| C22 | C23 | C29 | C30 | 0.2° | 0.4° |
| C23 | C22 | C21 | H33 | 180.0° | 179.9° |
| C23 | C22 | C21 | C31 | 1.0° | 0.2° |
| C23 | C22 | C21 | C20 | 177.6° | 179.7° |
| C22 | C23 | C24 | H15 | 1.1° | 0.5° |
| C29 | C30 | O32 | C31 | 179.3° | 179.8° |
| C29 | C30 | O32 | C33 | 179.4° | 121.5° |
| C29 | C30 | C31 | C21 | 0.5° | 0.7° |
| C29 | C30 | C31 | H17 | 179.5° | 179.2° |
| C30 | C29 | C28 | H34 | 1.0° | 0.3° |
| C22 | C21 | C31 | C30 | 0.4° | 0.7° |
| C22 | C21 | C31 | C20 | 178.6° | 179.9° |
| C22 | C21 | C20 | C19 | 93.2° | 115.2° |
| C22 | C21 | C31 | H17 | 179.6° | 179.1° |
| C22 | C21 | C20 | H31 | 146.9° | 4.5° |
| C22 | C21 | C20 | H32 | 26.6° | 124.2° |
| O32 | C30 | C31 | C21 | 179.8° | 179.5° |
| C30 | O32 | C33 | C34 | 175.9° | 152.9° |
| O32 | C30 | C31 | H17 | 0.2° | 0.7° |
| C30 | O32 | C33 | H18 | 64.2° | 32.8° |
| C30 | O32 | C33 | H19 | 56.0° | 87.2° |
| C31 | C30 | O32 | C33 | 1.3° | 58.3° |
| C30 | C31 | C21 | H17 | 180.0° | 179.8° |
| C30 | C31 | C21 | C20 | 178.2° | 179.2° |
| O32 | C33 | C34 | H18 | 119.9° | 120.1° |
| O32 | C33 | C34 | H19 | 119.9° | 119.9° |
| O32 | C33 | C34 | C35 | 63.1° | 162.1° |
| O32 | C33 | H18 | H19 | 120.3° | 119.8° |
| O32 | C33 | C34 | H20 | 57.1° | 77.8° |
| O32 | C33 | C34 | H21 | 176.7° | 42.2° |
| C31 | C21 | C20 | C19 | 85.4° | 64.8° |
| C31 | C21 | C20 | H31 | 34.5° | 175.6° |
| C31 | C21 | C20 | H32 | 154.8° | 55.9° |
| C31 | C21 | C22 | H33 | 179.0° | 179.9° |
| C21 | C20 | C19 | H31 | 119.9° | 119.7° |
| C21 | C20 | C19 | H32 | 119.8° | 120.7° |
| C21 | C20 | C19 | C18 | 95.8° | 145.4° |
| C21 | C20 | C19 | H13 | 143.6° | 26.1° |
| C21 | C20 | C19 | H14 | 24.9° | 93.6° |
| C20 | C21 | C31 | H17 | 1.8° | 1.0° |
| C21 | C20 | H31 | H32 | 120.4° | 119.8° |
| C20 | C21 | C22 | H33 | 2.4° | 0.2° |
| C20 | C19 | C18 | H13 | 120.7° | 119.3° |
| C20 | C19 | C18 | H14 | 120.6° | 120.3° |
| C20 | C19 | C18 | C17 | 96.4° | 65.6° |
| C20 | C19 | C18 | N50 | 84.5° | 114.6° |
| C20 | C19 | H13 | H14 | 118.0° | 119.9° |
| C19 | C20 | H31 | H32 | 120.5° | 119.8° |
| C39 | C38 | C37 | H24 | 180.0° | 179.8° |
| C38 | C39 | C40 | H25 | 180.0° | 179.4° |
| C39 | C38 | C37 | C36 | 179.4° | 175.4° |
| C39 | C38 | C37 | C43 | 0.9° | 6.6° |
| C38 | C39 | C40 | CL41 | 179.7° | 178.3° |
| C38 | C39 | C40 | C42 | 0.9° | 2.0° |
| C38 | C37 | C36 | C35 | 2.6° | 9.1° |
| C37 | C38 | C39 | C40 | 0.5° | 0.2° |
| C38 | C37 | C36 | C43 | 179.7° | 178.2° |
| C38 | C37 | C36 | C46 | 179.1° | 169.5° |
| C38 | C37 | C43 | C42 | 0.1° | 10.7° |
| C38 | C37 | C43 | N44 | 179.4° | 168.1° |
| C37 | C38 | C39 | H25 | 179.5° | 179.5° |
| C33 | C34 | C35 | H20 | 120.2° | 120.2° |
| C33 | C34 | C35 | H21 | 120.2° | 120.1° |
| C33 | C34 | C35 | C36 | 64.4° | 89.4° |
| C34 | C33 | H18 | H19 | 120.3° | 119.9° |
| C33 | C34 | H20 | H21 | 119.5° | 120.3° |
| C33 | C34 | C35 | H22 | 56.4° | 151.2° |
| C33 | C34 | C35 | H23 | 174.8° | 31.6° |
| C34 | C35 | C36 | H22 | 120.8° | 119.5° |
| C34 | C35 | C36 | H23 | 120.8° | 120.9° |
| C34 | C35 | C36 | C37 | 101.8° | 84.9° |
| C34 | C35 | C36 | C46 | 80.3° | 96.8° |
| C35 | C34 | C33 | H18 | 177.0° | 77.8° |
| C35 | C34 | C33 | H19 | 56.8° | 42.2° |
| C35 | C34 | H20 | H21 | 119.5° | 119.7° |
| C34 | C35 | H22 | H23 | 117.4° | 119.9° |
| C35 | C36 | C37 | C46 | 178.3° | 178.5° |
| C35 | C36 | C37 | C43 | 177.7° | 172.7° |
| C35 | C36 | C46 | C47 | 0.2° | 1.6° |
| C35 | C36 | C46 | N44 | 177.7° | 177.7° |
| C36 | C35 | C34 | H20 | 175.4° | 30.8° |
| C36 | C35 | C34 | H21 | 55.8° | 150.5° |
| C36 | C35 | H22 | H23 | 117.4° | 120.1° |
| C39 | C40 | CL41 | C42 | 178.8° | 179.7° |
| C39 | C40 | C42 | C43 | 1.8° | 2.2° |
| C39 | C40 | C42 | C11 | 176.9° | 177.9° |
| C40 | C39 | C38 | H24 | 179.5° | 179.6° |
| C19 | C18 | C17 | N50 | 179.2° | 179.9° |
| C19 | C18 | C17 | C16 | 179.6° | 179.8° |
| C19 | C18 | N50 | C51 | 0.7° | 0.9° |
| C19 | C18 | N50 | N52 | 179.9° | 179.4° |
| C19 | C18 | C17 | H12 | 0.4° | 0.4° |
| C18 | C19 | H13 | H14 | 118.0° | 121.3° |
| C18 | C19 | C20 | H31 | 24.1° | 94.9° |
| C18 | C19 | C20 | H32 | 144.4° | 24.8° |
| C36 | C37 | C43 | C42 | 179.7° | 170.9° |
| C36 | C37 | C43 | N44 | 0.4° | 10.3° |
| C37 | C36 | C46 | C47 | 178.4° | 176.9° |
| C37 | C36 | C46 | N44 | 0.6° | 3.8° |
| C37 | C36 | C35 | H22 | 19.0° | 34.6° |
| C37 | C36 | C35 | H23 | 137.4° | 154.2° |
| C36 | C37 | C38 | H24 | 0.6° | 4.8° |
| C43 | C37 | C36 | C46 | 0.6° | 8.7° |
| C37 | C43 | C42 | C40 | 1.4° | 8.4° |
| C37 | C43 | C42 | N44 | 179.1° | 178.4° |
| C37 | C43 | N44 | C46 | 0.0° | 8.1° |
| C37 | C43 | C42 | C11 | 176.4° | 171.7° |
| C37 | C43 | N44 | C45 | 177.1° | 172.1° |
| C43 | C37 | C38 | H24 | 179.1° | 173.2° |
| C36 | C46 | N44 | C43 | 0.3° | 2.7° |
| C36 | C46 | C47 | N44 | 177.5° | 179.2° |
| C36 | C46 | C47 | O48 | 34.0° | 0.0° |
| C36 | C46 | C47 | O49 | 143.9° | 179.9° |
| C36 | C46 | N44 | C45 | 177.4° | 177.4° |
| C46 | C36 | C35 | H22 | 158.9° | 143.7° |
| C46 | C36 | C35 | H23 | 40.6° | 24.0° |
| CL41 | C40 | C42 | C43 | 179.4° | 177.5° |
| CL41 | C40 | C42 | C11 | 4.3° | 2.4° |
| CL41 | C40 | C39 | H25 | 0.3° | 2.4° |
| C40 | C42 | C43 | C11 | 175.0° | 179.9° |
| C40 | C42 | C43 | N44 | 179.5° | 170.0° |
| C40 | C42 | C11 | N9 | 101.3° | 61.5° |
| C40 | C42 | C11 | C12 | 79.1° | 117.0° |
| C42 | C40 | C39 | H25 | 179.1° | 177.3° |
| C18 | C17 | C16 | H12 | 180.0° | 179.8° |
| C17 | C18 | N50 | C51 | 180.0° | 179.2° |
| C17 | C18 | N50 | N52 | 0.9° | 0.5° |
| C18 | C17 | C16 | N52 | 0.3° | 0.4° |
| C18 | C17 | C16 | C15 | 179.1° | 179.4° |
| C17 | C18 | C19 | H13 | 142.9° | 53.7° |
| C17 | C18 | C19 | H14 | 24.2° | 174.2° |
| N50 | C18 | C17 | C16 | 0.4° | 0.1° |
| C18 | N50 | C51 | N52 | 179.0° | 179.7° |
| C18 | N50 | N52 | C16 | 1.1° | 0.8° |
| N50 | C18 | C17 | H12 | 179.6° | 179.7° |
| N50 | C18 | C19 | H13 | 36.1° | 126.2° |
| N50 | C18 | C19 | H14 | 154.8° | 5.7° |
| C18 | N50 | C51 | H39 | 179.0° | 90.0° |
| C18 | N50 | C51 | H40 | 59.0° | 150.0° |
| C18 | N50 | C51 | H41 | 61.0° | 30.1° |
| C42 | C43 | N44 | C46 | 179.2° | 173.3° |
| C42 | C43 | N44 | C45 | 2.1° | 6.5° |
| C43 | C42 | C11 | N9 | 73.7° | 118.4° |
| C43 | C42 | C11 | C12 | 106.0° | 63.1° |
| C43 | N44 | C46 | C47 | 178.2° | 176.6° |
| C43 | N44 | C46 | C45 | 177.1° | 179.8° |
| N44 | C43 | C42 | C11 | 4.5° | 9.9° |
| C43 | N44 | C45 | H35 | 180.0° | 90.0° |
| C43 | N44 | C45 | H36 | 60.0° | 150.0° |
| C43 | N44 | C45 | H37 | 60.0° | 30.0° |
| C17 | C16 | N52 | N50 | 0.9° | 0.7° |
| C17 | C16 | N52 | C15 | 178.9° | 179.9° |
| C17 | C16 | C15 | S14 | 114.5° | 59.3° |
| C17 | C16 | C15 | H10 | 6.0° | 60.7° |
| C17 | C16 | C15 | H11 | 125.0° | 179.7° |
| C46 | C47 | O48 | O49 | 177.9° | 180.0° |
| C47 | C46 | N44 | C45 | 4.7° | 3.2° |
| C46 | C47 | O49 | H38 | 178.0° | 180.0° |
| N44 | C46 | C47 | O48 | 148.5° | 179.2° |
| N44 | C46 | C47 | O49 | 33.6° | 0.9° |
| C46 | N44 | C45 | H35 | 3.3° | 90.3° |
| C46 | N44 | C45 | H36 | 116.7° | 29.8° |
| C46 | N44 | C45 | H37 | 123.3° | 149.8° |
| C42 | C11 | N9 | C10 | 0.6° | 4.1° |
| C42 | C11 | N9 | C12 | 179.7° | 178.7° |
| C42 | C11 | N9 | N8 | 179.9° | 177.1° |
| C42 | C11 | C12 | C13 | 1.4° | 2.5° |
| C42 | C11 | C12 | C7 | 179.7° | 177.9° |
| O48 | C47 | O49 | H38 | 0.0° | 0.0° |
| N44 | C45 | H35 | H36 | 120.0° | 120.0° |
| N44 | C45 | H35 | H37 | 120.0° | 119.9° |
| N44 | C45 | H36 | H37 | 120.0° | 120.0° |
| C10 | N9 | C11 | N8 | 179.3° | 178.8° |
| C10 | N9 | C11 | C12 | 179.7° | 177.1° |
| C10 | N9 | N8 | C7 | 179.9° | 176.9° |
| N9 | C10 | H26 | H27 | 120.0° | 119.9° |
| N9 | C10 | H26 | H28 | 120.0° | 120.0° |
| N9 | C10 | H27 | H28 | 120.0° | 120.0° |
| C51 | N50 | N52 | C16 | 179.7° | 179.0° |
| N50 | C51 | H39 | H40 | 120.0° | 120.0° |
| N50 | C51 | H39 | H41 | 120.0° | 120.1° |
| N50 | C51 | H40 | H41 | 120.0° | 120.0° |
| N50 | N52 | C16 | C15 | 179.8° | 179.1° |
| N52 | N50 | C51 | H39 | 0.0° | 90.3° |
| N52 | N50 | C51 | H40 | 120.0° | 29.7° |
| N52 | N50 | C51 | H41 | 120.0° | 149.6° |
| N52 | C16 | C15 | S14 | 66.8° | 120.8° |
| N52 | C16 | C15 | H10 | 172.7° | 119.2° |
| N52 | C16 | C15 | H11 | 53.6° | 0.5° |
| N52 | C16 | C17 | H12 | 179.7° | 179.8° |
| C16 | C15 | S14 | H10 | 120.5° | 119.8° |
| C16 | C15 | S14 | H11 | 120.5° | 120.2° |
| C16 | C15 | S14 | C13 | 69.7° | 102.7° |
| C16 | C15 | H10 | H11 | 118.5° | 119.7° |
| C15 | C16 | C17 | H12 | 0.9° | 0.3° |
| N9 | C11 | C12 | C13 | 178.9° | 178.7° |
| N9 | C11 | C12 | C7 | 0.1° | 0.9° |
| C11 | N9 | N8 | C7 | 0.6° | 2.0° |
| C11 | N9 | C10 | H26 | 179.2° | 90.0° |
| C11 | N9 | C10 | H27 | 59.2° | 150.0° |
| C11 | N9 | C10 | H28 | 60.8° | 30.0° |
| C12 | C11 | N9 | N8 | 0.4° | 1.7° |
| C11 | C12 | C13 | C7 | 178.6° | 179.5° |
| C11 | C12 | C13 | S14 | 92.0° | 130.3° |
| C11 | C12 | C7 | N8 | 0.3° | 0.4° |
| C11 | C12 | C7 | C6 | 179.1° | 179.9° |
| C11 | C12 | C13 | H29 | 28.4° | 109.3° |
| C11 | C12 | C13 | H30 | 147.6° | 10.2° |
| N9 | N8 | C7 | C12 | 0.5° | 1.4° |
| N9 | N8 | C7 | C6 | 179.4° | 178.8° |
| N8 | N9 | C10 | H26 | 0.0° | 88.6° |
| N8 | N9 | C10 | H27 | 120.0° | 31.4° |
| N8 | N9 | C10 | H28 | 120.0° | 151.4° |
| C15 | S14 | C13 | C12 | 91.2° | 115.6° |
| S14 | C15 | H10 | H11 | 118.6° | 120.2° |
| C15 | S14 | C13 | H29 | 29.2° | 5.1° |
| C15 | S14 | C13 | H30 | 148.3° | 124.2° |
| C12 | C13 | S14 | H29 | 120.4° | 120.7° |
| C12 | C13 | S14 | H30 | 120.4° | 120.2° |
| C13 | C12 | C7 | N8 | 178.5° | 179.9° |
| C13 | C12 | C7 | C6 | 0.2° | 0.3° |
| C12 | C13 | H29 | H30 | 118.7° | 119.9° |
| C7 | C12 | C13 | S14 | 89.4° | 50.2° |
| C12 | C7 | N8 | C6 | 178.8° | 179.8° |
| C12 | C7 | C6 | O5 | 93.6° | 90.0° |
| C12 | C7 | C6 | H8 | 148.7° | 150.0° |
| C12 | C7 | C6 | H9 | 24.1° | 30.0° |
| C7 | C12 | C13 | H29 | 150.2° | 70.2° |
| C7 | C12 | C13 | H30 | 31.1° | 170.3° |
| C13 | S14 | C15 | H10 | 50.8° | 17.1° |
| C13 | S14 | C15 | H11 | 169.9° | 137.1° |
| S14 | C13 | H29 | H30 | 118.7° | 119.3° |
| N8 | C7 | C6 | O5 | 85.0° | 89.7° |
| N8 | C7 | C6 | H8 | 32.7° | 30.3° |
| N8 | C7 | C6 | H9 | 157.3° | 150.3° |
| C7 | C6 | O5 | H8 | 117.7° | 120.1° |
| C7 | C6 | O5 | H9 | 117.7° | 120.0° |
| C7 | C6 | O5 | C4 | 162.4° | 180.0° |
| C7 | C6 | H8 | H9 | 126.4° | 120.0° |
| C1 | O2 | C3 | C4 | 176.5° | 180.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 119.9° |
| O2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | O2 | C3 | H4 | 56.4° | 60.1° |
| C1 | O2 | C3 | H5 | 63.5° | 60.0° |
| O2 | C3 | C4 | O5 | 91.0° | 65.0° |
| O2 | C3 | C4 | H4 | 120.1° | 120.0° |
| O2 | C3 | C4 | H5 | 120.1° | 120.0° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 180.0° |
| O2 | C3 | H4 | H5 | 119.8° | 120.1° |
| O2 | C3 | C4 | H6 | 29.8° | 175.0° |
| O2 | C3 | C4 | H7 | 148.1° | 55.0° |
| C6 | O5 | C4 | C3 | 142.5° | 180.0° |
| C6 | O5 | C4 | H6 | 96.7° | 60.0° |
| C6 | O5 | C4 | H7 | 21.7° | 60.0° |
| O5 | C6 | H8 | H9 | 126.4° | 120.0° |
| O5 | C4 | C3 | H6 | 120.8° | 119.9° |
| O5 | C4 | C3 | H7 | 120.8° | 120.0° |
| O5 | C4 | C3 | H4 | 29.1° | 175.0° |
| O5 | C4 | C3 | H5 | 148.9° | 55.0° |
| O5 | C4 | H6 | H7 | 117.4° | 120.0° |
| C4 | O5 | C6 | H8 | 44.7° | 60.0° |
| C4 | O5 | C6 | H9 | 79.9° | 60.0° |
| C4 | C3 | H4 | H5 | 119.7° | 120.0° |
| C3 | C4 | H6 | H7 | 117.4° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C3 | C4 | H6 | 149.9° | 55.1° |
| H4 | C3 | C4 | H7 | 91.8° | 65.0° |
| H5 | C3 | C4 | H6 | 90.3° | 65.0° |
| H5 | C3 | C4 | H7 | 28.0° | 175.0° |
| H13 | C19 | C20 | H31 | 96.6° | 145.7° |
| H13 | C19 | C20 | H32 | 23.7° | 94.6° |
| H14 | C19 | C20 | H31 | 144.7° | 26.0° |
| H14 | C19 | C20 | H32 | 95.0° | 145.7° |
| H16 | C27 | C28 | H34 | 1.3° | 0.4° |
| H18 | C33 | C34 | H20 | 62.8° | 42.2° |
| H18 | C33 | C34 | H21 | 56.8° | 162.3° |
| H19 | C33 | C34 | H20 | 177.0° | 162.2° |
| H19 | C33 | C34 | H21 | 63.4° | 77.7° |
| H20 | C34 | C35 | H22 | 63.7° | 88.6° |
| H20 | C34 | C35 | H23 | 54.6° | 151.8° |
| H21 | C34 | C35 | H22 | 176.6° | 31.1° |
| H21 | C34 | C35 | H23 | 65.0° | 88.5° |
| H24 | C38 | C39 | H25 | 0.5° | 0.2° |
| H26 | C10 | H27 | H28 | 120.0° | 120.1° |
| H35 | C45 | H36 | H37 | 120.0° | 120.0° |
| H39 | C51 | H40 | H41 | 120.0° | 120.0° |
