A1CEV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F16 | C13 | sing | 1.40Å | 1.39Å | |
| F15 | C13 | sing | 1.40Å | 1.40Å | |
| C13 | F14 | sing | 1.40Å | 1.39Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| O38 | C27 | doub | 1.21Å | 1.22Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | N26 | sing | 1.47Å | 1.48Å | |
| C17 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C23 | sing | 1.53Å | 1.53Å | |
| CL1 | C18 | sing | 1.74Å | 1.74Å | |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | N26 | sing | 1.35Å | 1.37Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C18 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| N26 | C25 | sing | 1.47Å | 1.49Å | |
| O1 | C2 | doub | 1.22Å | 1.21Å | |
| O20 | C7 | doub | 1.21Å | 1.21Å | |
| C23 | O22 | sing | 1.44Å | 1.44Å | |
| C23 | C3 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| O22 | C21 | sing | 1.44Å | 1.43Å | |
| C2 | C3 | sing | 1.41Å | 1.42Å | |
| C2 | N41 | sing | 1.35Å | 1.35Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.36Å | 1.37Å | |
| N30 | C29 | doub | 1.30Å | 1.30Å | Aromatic |
| N30 | C31 | sing | 1.36Å | 1.36Å | Aromatic |
| C29 | O37 | sing | 1.34Å | 1.34Å | Aromatic |
| N51 | N41 | sing | 1.40Å | 1.40Å | Aromatic |
| N51 | C44 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N8 | sing | 1.40Å | 1.40Å | |
| N41 | C42 | sing | 1.36Å | 1.36Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C31 | C36 | sing | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| O37 | C36 | sing | 1.35Å | 1.35Å | Aromatic |
| C36 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C49 | O48 | sing | 1.43Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C50 | N45 | sing | 1.47Å | 1.48Å | |
| C4 | C21 | sing | 1.51Å | 1.51Å | |
| C4 | N5 | sing | 1.36Å | 1.37Å | |
| C7 | N8 | sing | 1.35Å | 1.35Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C44 | N45 | sing | 1.39Å | 1.40Å | |
| C44 | N43 | sing | 1.34Å | 1.34Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | N5 | sing | 1.38Å | 1.38Å | |
| C42 | N43 | doub | 1.32Å | 1.31Å | Aromatic |
| N45 | C46 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.46Å | 1.47Å | |
| O48 | C47 | sing | 1.43Å | 1.43Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.08Å | 1.08Å | |
| C33 | H10 | sing | 1.08Å | 1.08Å | |
| C34 | H11 | sing | 1.08Å | 1.08Å | |
| C35 | H12 | sing | 1.08Å | 1.08Å | |
| C39 | H13 | sing | 1.09Å | 1.10Å | |
| C39 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| N8 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C47 | H25 | sing | 1.09Å | 1.10Å | |
| C47 | H26 | sing | 1.09Å | 1.10Å | |
| C49 | H27 | sing | 1.09Å | 1.10Å | |
| C49 | H28 | sing | 1.09Å | 1.10Å | |
| C50 | H29 | sing | 1.09Å | 1.10Å | |
| C50 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F16 | C13 | F15 | 110.2° | 109.5° |
| F16 | C13 | F14 | 107.8° | 109.5° |
| F16 | C13 | C12 | 110.7° | 109.5° |
| F15 | C13 | F14 | 109.3° | 109.4° |
| F15 | C13 | C12 | 110.3° | 109.5° |
| F14 | C13 | C12 | 108.5° | 109.5° |
| C13 | C12 | C17 | 121.6° | 119.9° |
| C13 | C12 | C11 | 118.6° | 119.9° |
| O38 | C27 | N26 | 120.3° | 120.0° |
| O38 | C27 | C28 | 114.6° | 120.0° |
| C40 | C39 | N26 | 111.5° | 108.8° |
| C39 | C40 | C23 | 109.7° | 109.3° |
| C40 | C39 | H13 | 109.0° | 109.6° |
| C40 | C39 | H14 | 109.0° | 109.6° |
| C39 | C40 | H15 | 109.4° | 109.5° |
| C39 | C40 | H16 | 109.4° | 109.5° |
| C39 | N26 | C27 | 120.1° | 120.6° |
| C39 | N26 | C25 | 115.2° | 118.8° |
| N26 | C39 | H13 | 109.0° | 109.6° |
| N26 | C39 | H14 | 109.0° | 109.6° |
| C12 | C17 | C18 | 120.9° | 120.1° |
| C17 | C12 | C11 | 119.8° | 120.2° |
| C12 | C17 | H4 | 119.5° | 120.0° |
| C17 | C18 | CL1 | 120.2° | 120.0° |
| C17 | C18 | C9 | 119.1° | 119.9° |
| C18 | C17 | H4 | 119.6° | 120.0° |
| C40 | C23 | O22 | 109.5° | 109.9° |
| C40 | C23 | C3 | 113.5° | 110.3° |
| C40 | C23 | C24 | 108.2° | 110.4° |
| C23 | C40 | H15 | 109.4° | 109.5° |
| C23 | C40 | H16 | 109.4° | 109.5° |
| CL1 | C18 | C9 | 120.7° | 120.1° |
| C12 | C11 | C10 | 119.3° | 120.1° |
| C12 | C11 | H3 | 120.4° | 120.0° |
| N26 | C27 | C28 | 125.2° | 120.0° |
| C27 | N26 | C25 | 124.6° | 120.6° |
| C27 | C28 | C29 | 108.4° | 109.4° |
| C27 | C28 | H21 | 109.8° | 109.6° |
| C27 | C28 | H22 | 109.8° | 109.5° |
| C18 | C9 | C10 | 119.3° | 119.9° |
| C18 | C9 | N8 | 123.3° | 120.1° |
| N26 | C25 | C24 | 110.4° | 108.7° |
| N26 | C25 | H19 | 109.2° | 109.6° |
| N26 | C25 | H20 | 109.3° | 109.7° |
| O1 | C2 | C3 | 121.5° | 120.2° |
| O1 | C2 | N41 | 119.4° | 120.2° |
| O20 | C7 | N8 | 120.6° | 120.0° |
| O20 | C7 | C6 | 119.8° | 120.0° |
| O22 | C23 | C3 | 105.1° | 106.2° |
| O22 | C23 | C24 | 112.3° | 109.8° |
| C23 | O22 | C21 | 103.2° | 104.4° |
| C3 | C23 | C24 | 108.3° | 110.2° |
| C23 | C3 | C2 | 134.6° | 132.7° |
| C23 | C3 | C4 | 106.6° | 107.7° |
| C23 | C24 | C25 | 111.5° | 109.4° |
| C23 | C24 | H7 | 109.0° | 109.5° |
| C23 | C24 | H8 | 109.0° | 109.5° |
| O22 | C21 | C4 | 104.9° | 105.8° |
| O22 | C21 | H5 | 110.6° | 110.2° |
| O22 | C21 | H6 | 110.6° | 110.2° |
| C3 | C2 | N41 | 119.1° | 119.6° |
| C2 | C3 | C4 | 118.9° | 119.6° |
| C2 | N41 | N51 | 132.7° | 133.0° |
| C2 | N41 | C42 | 121.1° | 120.5° |
| C11 | C10 | C9 | 121.7° | 119.9° |
| C10 | C11 | H3 | 120.4° | 119.9° |
| C11 | C10 | H18 | 119.1° | 120.1° |
| C28 | C29 | N30 | 125.5° | 124.8° |
| C28 | C29 | O37 | 124.1° | 124.9° |
| C29 | C28 | H21 | 109.7° | 109.4° |
| C29 | C28 | H22 | 109.7° | 109.4° |
| C3 | C4 | C21 | 107.5° | 107.7° |
| C3 | C4 | N5 | 121.2° | 120.0° |
| C29 | N30 | C31 | 108.8° | 108.8° |
| N30 | C29 | O37 | 110.4° | 110.3° |
| N30 | C31 | C32 | 133.9° | 133.8° |
| N30 | C31 | C36 | 106.4° | 106.5° |
| C29 | O37 | C36 | 108.2° | 108.2° |
| N41 | N51 | C44 | 107.4° | 106.9° |
| N51 | N41 | C42 | 106.1° | 106.5° |
| N51 | C44 | N45 | 127.3° | 125.4° |
| N51 | C44 | N43 | 108.2° | 109.2° |
| C10 | C9 | N8 | 117.4° | 120.0° |
| C9 | C10 | H18 | 119.2° | 120.1° |
| C9 | N8 | C7 | 122.5° | 120.0° |
| C9 | N8 | H17 | 118.7° | 120.0° |
| N41 | C42 | N5 | 120.5° | 120.1° |
| N41 | C42 | N43 | 107.5° | 107.6° |
| C32 | C31 | C36 | 119.7° | 119.7° |
| C31 | C32 | C33 | 119.7° | 119.7° |
| C31 | C32 | H9 | 120.2° | 120.2° |
| C31 | C36 | O37 | 106.2° | 106.2° |
| C31 | C36 | C35 | 119.9° | 119.8° |
| C32 | C33 | C34 | 120.4° | 120.4° |
| C33 | C32 | H9 | 120.2° | 120.1° |
| C32 | C33 | H10 | 119.8° | 119.8° |
| O37 | C36 | C35 | 133.9° | 134.0° |
| C36 | C35 | C34 | 119.8° | 119.9° |
| C36 | C35 | H12 | 120.1° | 120.0° |
| C50 | C49 | O48 | 109.4° | 109.3° |
| C49 | C50 | N45 | 109.7° | 109.3° |
| C50 | C49 | H27 | 109.5° | 109.5° |
| C50 | C49 | H28 | 109.5° | 109.5° |
| C49 | C50 | H29 | 109.4° | 109.5° |
| C49 | C50 | H30 | 109.4° | 109.5° |
| C49 | O48 | C47 | 115.3° | 113.7° |
| O48 | C49 | H27 | 109.5° | 109.5° |
| O48 | C49 | H28 | 109.5° | 109.5° |
| C25 | C24 | H7 | 109.0° | 109.5° |
| C25 | C24 | H8 | 109.0° | 109.5° |
| C24 | C25 | H19 | 109.2° | 109.6° |
| C24 | C25 | H20 | 109.2° | 109.6° |
| C33 | C34 | C35 | 120.5° | 120.5° |
| C34 | C33 | H10 | 119.8° | 119.8° |
| C33 | C34 | H11 | 119.8° | 119.8° |
| C50 | N45 | C44 | 115.9° | 111.0° |
| C50 | N45 | C46 | 113.4° | 110.8° |
| N45 | C50 | H29 | 109.4° | 109.5° |
| N45 | C50 | H30 | 109.4° | 109.5° |
| C21 | C4 | N5 | 131.3° | 132.3° |
| C4 | C21 | H5 | 110.6° | 110.2° |
| C4 | C21 | H6 | 110.6° | 110.2° |
| C4 | N5 | C42 | 119.2° | 120.2° |
| C4 | N5 | C6 | 120.4° | 119.9° |
| N8 | C7 | C6 | 119.6° | 120.0° |
| C7 | N8 | H17 | 118.7° | 120.0° |
| C7 | C6 | N5 | 110.3° | 109.5° |
| C7 | C6 | H1 | 109.3° | 109.5° |
| C7 | C6 | H2 | 109.2° | 109.4° |
| N45 | C44 | N43 | 124.5° | 125.4° |
| C44 | N45 | C46 | 115.6° | 111.0° |
| C44 | N43 | C42 | 110.8° | 109.8° |
| C35 | C34 | H11 | 119.7° | 119.7° |
| C34 | C35 | H12 | 120.1° | 120.1° |
| N5 | C42 | N43 | 132.0° | 132.2° |
| C42 | N5 | C6 | 120.4° | 119.9° |
| N45 | C46 | C47 | 108.7° | 109.3° |
| N45 | C46 | H23 | 109.7° | 109.6° |
| N45 | C46 | H24 | 109.7° | 109.4° |
| N5 | C6 | H1 | 109.2° | 109.5° |
| N5 | C6 | H2 | 109.3° | 109.5° |
| O48 | C47 | C46 | 109.2° | 109.3° |
| O48 | C47 | H25 | 109.5° | 109.5° |
| O48 | C47 | H26 | 109.5° | 109.5° |
| C47 | C46 | H23 | 109.7° | 109.5° |
| C47 | C46 | H24 | 109.7° | 109.5° |
| C46 | C47 | H25 | 109.5° | 109.5° |
| C46 | C47 | H26 | 109.5° | 109.6° |
| H1 | C6 | H2 | 109.5° | 109.4° |
| H5 | C21 | H6 | 109.4° | 110.2° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H13 | C39 | H14 | 109.5° | 109.7° |
| H15 | C40 | H16 | 109.4° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.7° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H23 | C46 | H24 | 109.5° | 109.5° |
| H25 | C47 | H26 | 109.5° | 109.5° |
| H27 | C49 | H28 | 109.5° | 109.5° |
| H29 | C50 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F16 | C13 | F15 | F14 | 118.3° | 120.0° |
| F16 | C13 | F15 | C12 | 122.5° | 120.0° |
| F16 | C13 | F14 | C12 | 120.0° | 120.0° |
| F16 | C13 | C12 | C17 | 21.1° | 150.0° |
| F16 | C13 | C12 | C11 | 158.3° | 30.0° |
| F15 | C13 | F14 | C12 | 120.3° | 120.0° |
| F15 | C13 | C12 | C17 | 101.1° | 30.0° |
| F15 | C13 | C12 | C11 | 79.5° | 150.0° |
| F14 | C13 | C12 | C17 | 139.2° | 90.0° |
| F14 | C13 | C12 | C11 | 40.2° | 90.0° |
| C13 | C12 | C17 | C11 | 179.4° | 180.0° |
| C13 | C12 | C17 | C18 | 179.3° | 180.0° |
| C13 | C12 | C11 | C10 | 179.3° | 180.0° |
| C13 | C12 | C11 | H3 | 0.7° | 0.3° |
| C13 | C12 | C17 | H4 | 0.7° | 0.1° |
| O38 | C27 | N26 | C39 | 1.4° | 0.1° |
| O38 | C27 | N26 | C28 | 178.7° | 179.9° |
| O38 | C27 | N26 | C25 | 179.9° | 180.0° |
| O38 | C27 | C28 | C29 | 80.2° | 0.1° |
| O38 | C27 | C28 | H21 | 160.0° | 119.9° |
| O38 | C27 | C28 | H22 | 39.6° | 120.0° |
| C40 | C39 | N26 | H13 | 120.3° | 119.9° |
| C40 | C39 | N26 | H14 | 120.3° | 119.8° |
| C39 | C40 | C23 | H15 | 120.1° | 120.0° |
| C39 | C40 | C23 | H16 | 120.0° | 120.0° |
| C40 | C39 | N26 | C27 | 128.8° | 126.1° |
| C40 | C39 | N26 | C25 | 52.5° | 54.0° |
| C39 | C40 | C23 | O22 | 62.9° | 60.7° |
| C39 | C40 | C23 | C3 | 179.9° | 177.4° |
| C39 | C40 | C23 | C24 | 59.9° | 60.6° |
| C40 | C39 | H13 | H14 | 119.1° | 120.4° |
| C39 | C40 | H15 | H16 | 119.9° | 120.1° |
| N26 | C39 | C40 | C23 | 56.4° | 54.1° |
| C39 | N26 | C27 | C25 | 178.5° | 179.9° |
| C39 | N26 | C27 | C28 | 179.8° | 180.0° |
| C39 | N26 | C25 | C24 | 50.8° | 53.9° |
| N26 | C39 | H13 | H14 | 119.1° | 120.3° |
| N26 | C39 | C40 | H15 | 63.7° | 174.1° |
| N26 | C39 | C40 | H16 | 176.5° | 65.9° |
| C39 | N26 | C25 | H19 | 69.4° | 173.7° |
| C39 | N26 | C25 | H20 | 170.9° | 65.8° |
| C12 | C17 | C18 | H4 | 180.0° | 179.9° |
| C12 | C17 | C18 | CL1 | 180.0° | 180.0° |
| C12 | C17 | C18 | C9 | 0.1° | 0.0° |
| C17 | C12 | C11 | C10 | 0.1° | 0.0° |
| C17 | C12 | C11 | H3 | 179.9° | 179.8° |
| C17 | C18 | CL1 | C9 | 180.0° | 180.0° |
| C18 | C17 | C12 | C11 | 0.0° | 0.0° |
| C17 | C18 | C9 | C10 | 0.2° | 0.0° |
| C17 | C18 | C9 | N8 | 179.3° | 180.0° |
| C40 | C23 | O22 | C3 | 122.2° | 119.3° |
| C40 | C23 | O22 | C24 | 120.3° | 121.6° |
| C40 | C23 | C3 | C24 | 120.2° | 122.1° |
| C40 | C23 | O22 | C21 | 156.8° | 91.8° |
| C40 | C23 | C3 | C2 | 38.7° | 78.2° |
| C40 | C23 | C3 | C4 | 141.7° | 101.8° |
| C40 | C23 | C24 | C25 | 59.6° | 60.6° |
| C40 | C23 | C24 | H7 | 60.7° | 59.4° |
| C40 | C23 | C24 | H8 | 179.9° | 179.5° |
| C23 | C40 | C39 | H13 | 63.9° | 65.7° |
| C23 | C40 | C39 | H14 | 176.7° | 173.9° |
| C23 | C40 | H15 | H16 | 119.9° | 120.1° |
| CL1 | C18 | C9 | C10 | 179.9° | 180.0° |
| CL1 | C18 | C9 | N8 | 0.6° | 0.0° |
| CL1 | C18 | C17 | H4 | 0.1° | 0.1° |
| C12 | C11 | C10 | H3 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C11 | C12 | C17 | H4 | 179.9° | 179.9° |
| C12 | C11 | C10 | H18 | 179.9° | 179.7° |
| N26 | C27 | C28 | C29 | 98.6° | 180.0° |
| C27 | N26 | C25 | C24 | 130.7° | 126.2° |
| C27 | N26 | C39 | H13 | 110.9° | 114.0° |
| C27 | N26 | C39 | H14 | 8.5° | 6.4° |
| C27 | N26 | C25 | H19 | 109.2° | 6.4° |
| C27 | N26 | C25 | H20 | 10.6° | 114.0° |
| N26 | C27 | C28 | H21 | 21.2° | 59.9° |
| N26 | C27 | C28 | H22 | 141.6° | 60.1° |
| C28 | C27 | N26 | C25 | 1.3° | 0.1° |
| C27 | C28 | C29 | H21 | 119.8° | 120.1° |
| C27 | C28 | C29 | H22 | 119.8° | 120.0° |
| C27 | C28 | C29 | N30 | 31.7° | 90.1° |
| C27 | C28 | C29 | O37 | 147.8° | 90.0° |
| C27 | C28 | H21 | H22 | 120.5° | 120.1° |
| C18 | C9 | C10 | C11 | 0.2° | 0.0° |
| C18 | C9 | C10 | N8 | 179.5° | 180.0° |
| C18 | C9 | N8 | C7 | 62.3° | 145.3° |
| C9 | C18 | C17 | H4 | 179.9° | 179.9° |
| C18 | C9 | N8 | H17 | 117.7° | 34.6° |
| C18 | C9 | C10 | H18 | 179.8° | 179.7° |
| N26 | C25 | C24 | C23 | 54.1° | 54.1° |
| N26 | C25 | C24 | H19 | 120.1° | 119.8° |
| N26 | C25 | C24 | H20 | 120.2° | 119.8° |
| N26 | C25 | C24 | H7 | 66.2° | 65.9° |
| N26 | C25 | C24 | H8 | 174.4° | 174.1° |
| C25 | N26 | C39 | H13 | 67.7° | 65.9° |
| C25 | N26 | C39 | H14 | 172.9° | 173.7° |
| N26 | C25 | H19 | H20 | 119.6° | 120.5° |
| O1 | C2 | C3 | C23 | 0.7° | 0.7° |
| O1 | C2 | C3 | N41 | 179.8° | 179.7° |
| O1 | C2 | C3 | C4 | 179.8° | 179.4° |
| O1 | C2 | N41 | N51 | 0.4° | 0.4° |
| O1 | C2 | N41 | C42 | 179.6° | 179.5° |
| O20 | C7 | N8 | C9 | 1.3° | 4.4° |
| O20 | C7 | N8 | C6 | 179.6° | 180.0° |
| O20 | C7 | C6 | N5 | 17.8° | 0.0° |
| O20 | C7 | C6 | H1 | 102.3° | 120.0° |
| O20 | C7 | C6 | H2 | 137.9° | 120.1° |
| O20 | C7 | N8 | H17 | 178.8° | 175.6° |
| O22 | C23 | C3 | C24 | 120.2° | 118.9° |
| O22 | C23 | C3 | C2 | 158.3° | 162.7° |
| O22 | C23 | C3 | C4 | 22.2° | 17.2° |
| O22 | C23 | C24 | C25 | 61.4° | 60.7° |
| C23 | O22 | C21 | C4 | 33.9° | 27.6° |
| C23 | O22 | C21 | H5 | 153.2° | 146.7° |
| C23 | O22 | C21 | H6 | 85.3° | 91.5° |
| O22 | C23 | C24 | H7 | 178.3° | 179.3° |
| O22 | C23 | C24 | H8 | 58.9° | 59.2° |
| O22 | C23 | C40 | H15 | 177.1° | 59.3° |
| O22 | C23 | C40 | H16 | 57.1° | 179.4° |
| C3 | C23 | O22 | C21 | 34.6° | 27.6° |
| C23 | C3 | C2 | C4 | 179.5° | 179.9° |
| C23 | C3 | C2 | N41 | 179.4° | 179.6° |
| C3 | C23 | C24 | C25 | 176.9° | 177.3° |
| C23 | C3 | C4 | C21 | 0.9° | 0.2° |
| C23 | C3 | C4 | N5 | 179.5° | 179.8° |
| C3 | C23 | C24 | H7 | 62.8° | 62.7° |
| C3 | C23 | C24 | H8 | 56.6° | 57.4° |
| C3 | C23 | C40 | H15 | 60.0° | 57.5° |
| C3 | C23 | C40 | H16 | 59.9° | 62.6° |
| C24 | C23 | O22 | C21 | 82.9° | 146.7° |
| C24 | C23 | C3 | C2 | 81.5° | 43.9° |
| C24 | C23 | C3 | C4 | 98.1° | 136.0° |
| C23 | C24 | C25 | H7 | 120.3° | 120.0° |
| C23 | C24 | C25 | H8 | 120.3° | 120.0° |
| C23 | C24 | H7 | H8 | 119.1° | 120.1° |
| C24 | C23 | C40 | H15 | 60.2° | 179.5° |
| C24 | C23 | C40 | H16 | 179.9° | 59.4° |
| C23 | C24 | C25 | H19 | 66.0° | 173.9° |
| C23 | C24 | C25 | H20 | 174.3° | 65.8° |
| O22 | C21 | C4 | C3 | 20.7° | 17.5° |
| O22 | C21 | C4 | H5 | 119.3° | 119.1° |
| O22 | C21 | C4 | H6 | 119.3° | 119.1° |
| O22 | C21 | C4 | N5 | 158.9° | 162.5° |
| O22 | C21 | H5 | H6 | 122.1° | 121.8° |
| C3 | C2 | N41 | N51 | 179.8° | 179.9° |
| C3 | C2 | N41 | C42 | 0.5° | 0.3° |
| C2 | C3 | C4 | C21 | 179.5° | 179.9° |
| C2 | C3 | C4 | N5 | 0.2° | 0.2° |
| N41 | C2 | C3 | C4 | 0.1° | 0.3° |
| C2 | N41 | N51 | C42 | 179.3° | 179.9° |
| C2 | N41 | N51 | C44 | 179.5° | 180.0° |
| C2 | N41 | C42 | N5 | 1.0° | 0.0° |
| C2 | N41 | C42 | N43 | 179.9° | 180.0° |
| C11 | C10 | C9 | H18 | 180.0° | 179.7° |
| C11 | C10 | C9 | N8 | 179.3° | 180.0° |
| C28 | C29 | N30 | O37 | 179.6° | 179.9° |
| C28 | C29 | N30 | C31 | 179.7° | 179.9° |
| C28 | C29 | O37 | C36 | 179.8° | 179.9° |
| C29 | C28 | H21 | H22 | 120.5° | 119.9° |
| C3 | C4 | C21 | N5 | 179.6° | 180.0° |
| C3 | C4 | N5 | C42 | 0.3° | 0.1° |
| C3 | C4 | N5 | C6 | 178.5° | 180.0° |
| C3 | C4 | C21 | H5 | 140.0° | 136.6° |
| C3 | C4 | C21 | H6 | 98.6° | 101.6° |
| C29 | N30 | C31 | C32 | 180.0° | 180.0° |
| C29 | N30 | C31 | C36 | 0.0° | 0.2° |
| N30 | C29 | O37 | C36 | 0.2° | 0.0° |
| N30 | C29 | C28 | H21 | 88.1° | 29.9° |
| N30 | C29 | C28 | H22 | 151.6° | 149.9° |
| C31 | N30 | C29 | O37 | 0.1° | 0.2° |
| N30 | C31 | C32 | C36 | 180.0° | 179.7° |
| N30 | C31 | C32 | C33 | 180.0° | 179.7° |
| N30 | C31 | C36 | O37 | 0.1° | 0.2° |
| N30 | C31 | C36 | C35 | 179.9° | 179.8° |
| N30 | C31 | C32 | H9 | 0.0° | 0.3° |
| C29 | O37 | C36 | C31 | 0.2° | 0.1° |
| C29 | O37 | C36 | C35 | 179.9° | 179.9° |
| O37 | C29 | C28 | H21 | 92.4° | 149.9° |
| O37 | C29 | C28 | H22 | 28.0° | 30.0° |
| N41 | N51 | C44 | N45 | 178.9° | 180.0° |
| N41 | N51 | C44 | N43 | 0.2° | 0.1° |
| N51 | N41 | C42 | N5 | 179.6° | 179.9° |
| N51 | N41 | C42 | N43 | 0.4° | 0.1° |
| C44 | N51 | N41 | C42 | 0.2° | 0.1° |
| N51 | C44 | N45 | C50 | 12.7° | 123.6° |
| N51 | C44 | N45 | N43 | 178.5° | 179.9° |
| N51 | C44 | N43 | C42 | 0.5° | 0.1° |
| N51 | C44 | N45 | C46 | 148.8° | 0.1° |
| C10 | C9 | N8 | C7 | 117.2° | 34.6° |
| C9 | C10 | C11 | H3 | 179.9° | 179.7° |
| C10 | C9 | N8 | H17 | 62.8° | 145.4° |
| C9 | N8 | C7 | H17 | 180.0° | 180.0° |
| C9 | N8 | C7 | C6 | 179.1° | 175.5° |
| N8 | C9 | C10 | H18 | 0.7° | 0.3° |
| N41 | C42 | N5 | C4 | 0.9° | 0.1° |
| N41 | C42 | N43 | C44 | 0.6° | 0.0° |
| N41 | C42 | N5 | N43 | 178.9° | 180.0° |
| N41 | C42 | N5 | C6 | 177.9° | 179.9° |
| C31 | C32 | C33 | H9 | 180.0° | 180.0° |
| C32 | C31 | C36 | O37 | 179.9° | 180.0° |
| C32 | C31 | C36 | C35 | 0.1° | 0.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H10 | 180.0° | 180.0° |
| C36 | C31 | C32 | C33 | 0.0° | 0.0° |
| C31 | C36 | O37 | C35 | 179.8° | 180.0° |
| C31 | C36 | C35 | C34 | 0.1° | 0.0° |
| C36 | C31 | C32 | H9 | 180.0° | 180.0° |
| C31 | C36 | C35 | H12 | 179.9° | 180.0° |
| C32 | C33 | C34 | H10 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.0° | 0.0° |
| C32 | C33 | C34 | H11 | 180.0° | 179.9° |
| O37 | C36 | C35 | C34 | 179.8° | 180.0° |
| O37 | C36 | C35 | H12 | 0.1° | 0.0° |
| C36 | C35 | C34 | C33 | 0.1° | 0.0° |
| C36 | C35 | C34 | H12 | 180.0° | 180.0° |
| C36 | C35 | C34 | H11 | 179.9° | 180.0° |
| C50 | C49 | O48 | H27 | 120.0° | 119.9° |
| C50 | C49 | O48 | H28 | 120.0° | 120.0° |
| C49 | C50 | N45 | H29 | 120.0° | 119.9° |
| C49 | C50 | N45 | H30 | 120.0° | 120.0° |
| C49 | C50 | N45 | C44 | 167.9° | 177.6° |
| C49 | C50 | N45 | C46 | 55.0° | 58.6° |
| C50 | C49 | O48 | C47 | 57.9° | 58.6° |
| C50 | C49 | H27 | H28 | 120.0° | 120.1° |
| C49 | C50 | H29 | H30 | 119.9° | 120.1° |
| O48 | C49 | C50 | N45 | 52.6° | 56.8° |
| C49 | O48 | C47 | C46 | 59.7° | 58.6° |
| C49 | O48 | C47 | H25 | 179.6° | 61.3° |
| C49 | O48 | C47 | H26 | 60.3° | 178.6° |
| O48 | C49 | H27 | H28 | 120.0° | 120.1° |
| O48 | C49 | C50 | H29 | 172.7° | 63.1° |
| O48 | C49 | C50 | H30 | 67.4° | 176.8° |
| C25 | C24 | H7 | H8 | 119.1° | 120.0° |
| C24 | C25 | H19 | H20 | 119.6° | 120.3° |
| C33 | C34 | C35 | H11 | 180.0° | 180.0° |
| C34 | C33 | C32 | H9 | 180.0° | 179.9° |
| C33 | C34 | C35 | H12 | 179.9° | 180.0° |
| C50 | N45 | C44 | C46 | 136.1° | 123.7° |
| C50 | N45 | C44 | N43 | 168.8° | 56.3° |
| C50 | N45 | C46 | C47 | 56.4° | 58.6° |
| C50 | N45 | C46 | H23 | 176.3° | 178.5° |
| C50 | N45 | C46 | H24 | 63.5° | 61.4° |
| N45 | C50 | C49 | H27 | 172.6° | 63.1° |
| N45 | C50 | C49 | H28 | 67.3° | 176.8° |
| N45 | C50 | H29 | H30 | 119.9° | 120.1° |
| C21 | C4 | N5 | C42 | 179.9° | 179.9° |
| C21 | C4 | N5 | C6 | 1.1° | 0.1° |
| C4 | C21 | H5 | H6 | 122.1° | 121.8° |
| C4 | N5 | C6 | C7 | 94.4° | 90.0° |
| C4 | N5 | C42 | C6 | 178.8° | 180.0° |
| C4 | N5 | C42 | N43 | 179.8° | 179.9° |
| C4 | N5 | C6 | H1 | 145.5° | 30.0° |
| C4 | N5 | C6 | H2 | 25.7° | 150.0° |
| N5 | C4 | C21 | H5 | 39.6° | 43.4° |
| N5 | C4 | C21 | H6 | 81.8° | 78.4° |
| N8 | C7 | C6 | N5 | 161.8° | 180.0° |
| N8 | C7 | C6 | H1 | 78.1° | 60.0° |
| N8 | C7 | C6 | H2 | 41.7° | 59.9° |
| C7 | C6 | N5 | C42 | 84.4° | 90.0° |
| C7 | C6 | N5 | H1 | 120.1° | 120.0° |
| C7 | C6 | N5 | H2 | 120.1° | 120.0° |
| C7 | C6 | H1 | H2 | 119.6° | 119.9° |
| C6 | C7 | N8 | H17 | 0.8° | 4.4° |
| N45 | C44 | N43 | C42 | 179.2° | 179.9° |
| C44 | N45 | C46 | C47 | 166.3° | 177.6° |
| C44 | N45 | C46 | H23 | 46.5° | 57.6° |
| C44 | N45 | C46 | H24 | 73.8° | 62.5° |
| C44 | N45 | C50 | H29 | 47.9° | 62.5° |
| C44 | N45 | C50 | H30 | 72.1° | 57.6° |
| C44 | N43 | C42 | N5 | 179.6° | 180.0° |
| N43 | C44 | N45 | C46 | 32.7° | 180.0° |
| C35 | C34 | C33 | H10 | 180.0° | 180.0° |
| C42 | N5 | C6 | H1 | 35.7° | 150.0° |
| C42 | N5 | C6 | H2 | 155.5° | 30.0° |
| N43 | C42 | N5 | C6 | 1.0° | 0.1° |
| N45 | C46 | C47 | O48 | 55.8° | 56.8° |
| N45 | C46 | C47 | H23 | 119.9° | 120.0° |
| N45 | C46 | C47 | H24 | 119.9° | 119.9° |
| N45 | C46 | H23 | H24 | 120.4° | 120.0° |
| N45 | C46 | C47 | H25 | 175.8° | 63.1° |
| N45 | C46 | C47 | H26 | 64.1° | 176.8° |
| C46 | N45 | C50 | H29 | 175.1° | 61.3° |
| C46 | N45 | C50 | H30 | 65.0° | 178.5° |
| N5 | C6 | H1 | H2 | 119.6° | 120.1° |
| O48 | C47 | C46 | H25 | 120.0° | 119.9° |
| O48 | C47 | C46 | H26 | 119.9° | 120.0° |
| O48 | C47 | C46 | H23 | 175.7° | 176.8° |
| O48 | C47 | C46 | H24 | 64.1° | 63.1° |
| O48 | C47 | H25 | H26 | 120.1° | 120.1° |
| C47 | O48 | C49 | H27 | 177.9° | 61.3° |
| C47 | O48 | C49 | H28 | 62.1° | 178.6° |
| C47 | C46 | H23 | H24 | 120.4° | 120.1° |
| C46 | C47 | H25 | H26 | 120.1° | 120.2° |
| H3 | C11 | C10 | H18 | 0.1° | 0.0° |
| H7 | C24 | C25 | H19 | 173.6° | 53.9° |
| H7 | C24 | C25 | H20 | 53.9° | 174.2° |
| H8 | C24 | C25 | H19 | 54.2° | 66.1° |
| H8 | C24 | C25 | H20 | 65.5° | 54.2° |
| H9 | C32 | C33 | H10 | 0.0° | 0.0° |
| H10 | C33 | C34 | H11 | 0.0° | 0.0° |
| H11 | C34 | C35 | H12 | 0.1° | 0.0° |
| H13 | C39 | C40 | H15 | 176.1° | 54.3° |
| H13 | C39 | C40 | H16 | 56.2° | 174.3° |
| H14 | C39 | C40 | H15 | 56.6° | 66.1° |
| H14 | C39 | C40 | H16 | 63.3° | 53.9° |
| H23 | C46 | C47 | H25 | 64.3° | 56.9° |
| H23 | C46 | C47 | H26 | 55.8° | 63.2° |
| H24 | C46 | C47 | H25 | 55.9° | 177.0° |
| H24 | C46 | C47 | H26 | 176.0° | 56.9° |
| H27 | C49 | C50 | H29 | 67.3° | 177.0° |
| H27 | C49 | C50 | H30 | 52.6° | 56.9° |
| H28 | C49 | C50 | H29 | 52.7° | 56.9° |
| H28 | C49 | C50 | H30 | 172.7° | 63.2° |
