O5B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | S15 | doub | 1.42Å | 1.44Å | |
| O24 | S15 | doub | 1.42Å | 1.44Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | C5 | sing | 1.55Å | 1.55Å | |
| S15 | C5 | sing | 1.81Å | 1.83Å | |
| S15 | C16 | sing | 1.76Å | 1.77Å | |
| F32 | C25 | sing | 1.40Å | 1.33Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| F31 | C25 | sing | 1.40Å | 1.33Å | |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| C5 | C9 | sing | 1.50Å | 1.53Å | |
| C5 | C4 | sing | 1.54Å | 1.58Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | F33 | sing | 1.40Å | 1.33Å | |
| C25 | C14 | sing | 1.53Å | 1.57Å | |
| C9 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| F28 | C26 | sing | 1.40Å | 1.33Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | sing | 1.51Å | 1.53Å | |
| C35 | C41 | sing | 1.53Å | 1.54Å | |
| N3 | C34 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.48Å | 1.47Å | |
| C11 | C14 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| O44 | C42 | doub | 1.21Å | 1.21Å | |
| C34 | O36 | doub | 1.21Å | 1.22Å | |
| O43 | C42 | sing | 1.34Å | 1.31Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C42 | C39 | sing | 1.51Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C14 | C26 | sing | 1.53Å | 1.56Å | |
| C14 | F27 | sing | 1.40Å | 1.38Å | |
| C26 | F29 | sing | 1.40Å | 1.33Å | |
| C26 | F30 | sing | 1.40Å | 1.33Å | |
| C8 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C21 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | F22 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| O43 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | S15 | O24 | 118.6° | 121.0° |
| O23 | S15 | C5 | 108.1° | 110.6° |
| O23 | S15 | C16 | 108.4° | 104.3° |
| O24 | S15 | C5 | 108.2° | 110.5° |
| O24 | S15 | C16 | 107.9° | 104.3° |
| C2 | C1 | C5 | 104.5° | 102.8° |
| C1 | C2 | N3 | 102.6° | 107.2° |
| C2 | C1 | H1 | 110.7° | 110.7° |
| C2 | C1 | H2 | 110.7° | 110.7° |
| C1 | C2 | H3 | 111.1° | 109.9° |
| C1 | C2 | H4 | 111.1° | 109.9° |
| C1 | C5 | S15 | 113.3° | 110.0° |
| C1 | C5 | C9 | 110.7° | 110.5° |
| C1 | C5 | C4 | 105.9° | 102.4° |
| C5 | C1 | H1 | 110.7° | 110.8° |
| C5 | C1 | H2 | 110.7° | 110.8° |
| C5 | S15 | C16 | 104.7° | 104.5° |
| S15 | C5 | C9 | 102.7° | 109.9° |
| S15 | C5 | C4 | 108.5° | 110.6° |
| S15 | C16 | C17 | 119.6° | 120.0° |
| S15 | C16 | C20 | 119.3° | 120.0° |
| F32 | C25 | F31 | 107.2° | 109.4° |
| F32 | C25 | F33 | 106.9° | 109.5° |
| F32 | C25 | C14 | 112.3° | 109.5° |
| C12 | C13 | C9 | 121.5° | 120.8° |
| C13 | C12 | C11 | 120.9° | 119.9° |
| C13 | C12 | H11 | 119.6° | 120.1° |
| C12 | C13 | H12 | 119.2° | 119.6° |
| C13 | C9 | C5 | 120.8° | 117.6° |
| C13 | C9 | C8 | 118.5° | 119.1° |
| C9 | C13 | H12 | 119.2° | 119.6° |
| C12 | C11 | C14 | 121.3° | 120.2° |
| C12 | C11 | C10 | 117.7° | 119.5° |
| C11 | C12 | H11 | 119.5° | 120.0° |
| F31 | C25 | F33 | 107.4° | 109.5° |
| F31 | C25 | C14 | 112.2° | 109.4° |
| C2 | N3 | C34 | 133.1° | 125.7° |
| C2 | N3 | C4 | 108.2° | 108.6° |
| N3 | C2 | H3 | 111.2° | 109.8° |
| N3 | C2 | H4 | 111.1° | 109.9° |
| C9 | C5 | C4 | 116.0° | 113.1° |
| C5 | C9 | C8 | 120.6° | 123.3° |
| C5 | C4 | N3 | 102.5° | 104.7° |
| C5 | C4 | C6 | 115.5° | 109.6° |
| C5 | C4 | H5 | 108.0° | 111.9° |
| C16 | C17 | C18 | 119.4° | 120.0° |
| C17 | C16 | C20 | 121.1° | 120.0° |
| C16 | C17 | H13 | 120.3° | 120.0° |
| C17 | C18 | C21 | 118.5° | 120.0° |
| C18 | C17 | H13 | 120.3° | 120.0° |
| C17 | C18 | H14 | 120.8° | 120.0° |
| C16 | C20 | C19 | 119.5° | 120.1° |
| C16 | C20 | H16 | 120.2° | 119.9° |
| F33 | C25 | C14 | 110.6° | 109.5° |
| C25 | C14 | C11 | 114.3° | 109.4° |
| C25 | C14 | C26 | 111.2° | 109.5° |
| C25 | C14 | F27 | 104.8° | 109.5° |
| C9 | C8 | C10 | 119.1° | 120.2° |
| C9 | C8 | C7 | 121.8° | 121.7° |
| F28 | C26 | C14 | 111.7° | 109.5° |
| F28 | C26 | F29 | 107.2° | 109.5° |
| F28 | C26 | F30 | 107.2° | 109.4° |
| C37 | C38 | C39 | 111.2° | 109.4° |
| C38 | C37 | C35 | 111.6° | 109.5° |
| C38 | C37 | H18 | 108.9° | 109.5° |
| C38 | C37 | H19 | 108.9° | 109.6° |
| C37 | C38 | H20 | 109.0° | 109.5° |
| C37 | C38 | H21 | 109.0° | 109.5° |
| C38 | C39 | C42 | 112.7° | 109.4° |
| C38 | C39 | C40 | 109.5° | 109.5° |
| C39 | C38 | H20 | 109.0° | 109.5° |
| C39 | C38 | H21 | 109.0° | 109.4° |
| C38 | C39 | H22 | 107.0° | 109.5° |
| C37 | C35 | C34 | 110.3° | 109.5° |
| C37 | C35 | C41 | 108.8° | 109.5° |
| C37 | C35 | H17 | 109.1° | 109.5° |
| C35 | C37 | H18 | 108.9° | 109.4° |
| C35 | C37 | H19 | 108.9° | 109.5° |
| C34 | C35 | C41 | 110.1° | 109.5° |
| C35 | C34 | N3 | 118.5° | 120.0° |
| C35 | C34 | O36 | 120.5° | 120.0° |
| C34 | C35 | H17 | 109.3° | 109.5° |
| C35 | C41 | C40 | 111.5° | 109.5° |
| C41 | C35 | H17 | 109.2° | 109.5° |
| C35 | C41 | H25 | 109.0° | 109.5° |
| C35 | C41 | H26 | 109.0° | 109.5° |
| C34 | N3 | C4 | 118.7° | 125.7° |
| N3 | C34 | O36 | 121.1° | 120.0° |
| N3 | C4 | C6 | 112.5° | 108.0° |
| N3 | C4 | H5 | 109.4° | 111.3° |
| C14 | C11 | C10 | 121.0° | 120.2° |
| C11 | C14 | C26 | 110.9° | 109.5° |
| C11 | C14 | F27 | 110.6° | 109.5° |
| C11 | C10 | C8 | 122.3° | 120.5° |
| C11 | C10 | H10 | 118.8° | 119.8° |
| C18 | C21 | C19 | 123.1° | 119.9° |
| C18 | C21 | F22 | 118.5° | 120.0° |
| C21 | C18 | H14 | 120.7° | 120.0° |
| O44 | C42 | O43 | 122.7° | 120.0° |
| O44 | C42 | C39 | 122.9° | 120.0° |
| O43 | C42 | C39 | 114.4° | 119.9° |
| C42 | O43 | H27 | 109.5° | 116.9° |
| C20 | C19 | C21 | 118.4° | 120.0° |
| C20 | C19 | H15 | 120.8° | 120.0° |
| C19 | C20 | H16 | 120.2° | 120.0° |
| C4 | C6 | C7 | 111.9° | 109.3° |
| C6 | C4 | H5 | 108.6° | 111.2° |
| C4 | C6 | H6 | 108.9° | 109.5° |
| C4 | C6 | H7 | 108.9° | 109.5° |
| C42 | C39 | C40 | 113.1° | 109.4° |
| C42 | C39 | H22 | 107.2° | 109.5° |
| C39 | C40 | C41 | 111.2° | 109.4° |
| C40 | C39 | H22 | 107.0° | 109.5° |
| C39 | C40 | H23 | 109.0° | 109.5° |
| C39 | C40 | H24 | 109.0° | 109.5° |
| C41 | C40 | H23 | 109.0° | 109.5° |
| C41 | C40 | H24 | 109.0° | 109.4° |
| C40 | C41 | H25 | 109.0° | 109.5° |
| C40 | C41 | H26 | 109.0° | 109.5° |
| C26 | C14 | F27 | 104.4° | 109.5° |
| C14 | C26 | F29 | 111.4° | 109.5° |
| C14 | C26 | F30 | 111.6° | 109.4° |
| F29 | C26 | F30 | 107.5° | 109.5° |
| C10 | C8 | C7 | 119.1° | 118.1° |
| C8 | C10 | H10 | 118.8° | 119.7° |
| C8 | C7 | C6 | 113.2° | 109.8° |
| C8 | C7 | H8 | 108.5° | 109.4° |
| C8 | C7 | H9 | 108.5° | 109.4° |
| C19 | C21 | F22 | 118.4° | 120.0° |
| C21 | C19 | H15 | 120.8° | 120.0° |
| C7 | C6 | H6 | 108.8° | 109.6° |
| C7 | C6 | H7 | 108.8° | 109.5° |
| C6 | C7 | H8 | 108.5° | 109.4° |
| C6 | C7 | H9 | 108.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 110.8° |
| H3 | C2 | H4 | 109.5° | 109.9° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H18 | C37 | H19 | 109.5° | 109.4° |
| H20 | C38 | H21 | 109.5° | 109.5° |
| H23 | C40 | H24 | 109.5° | 109.5° |
| H25 | C41 | H26 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | S15 | O24 | C5 | 123.6° | 131.5° |
| O23 | S15 | O24 | C16 | 123.6° | 116.8° |
| O23 | S15 | C5 | C1 | 55.5° | 71.4° |
| O23 | S15 | C5 | C16 | 115.4° | 111.7° |
| O23 | S15 | C5 | C9 | 64.0° | 166.7° |
| O23 | S15 | C5 | C4 | 172.8° | 41.0° |
| O23 | S15 | C16 | C17 | 25.9° | 157.6° |
| O23 | S15 | C16 | C20 | 155.7° | 22.7° |
| O24 | S15 | C5 | C1 | 74.2° | 65.3° |
| O24 | S15 | C5 | C16 | 114.9° | 111.7° |
| O24 | S15 | C5 | C9 | 166.3° | 56.7° |
| O24 | S15 | C5 | C4 | 43.1° | 177.7° |
| O24 | S15 | C16 | C17 | 155.6° | 29.8° |
| O24 | S15 | C16 | C20 | 26.0° | 150.5° |
| C2 | C1 | C5 | H1 | 119.2° | 118.3° |
| C2 | C1 | C5 | H2 | 119.2° | 118.3° |
| C2 | C1 | C5 | S15 | 129.4° | 82.5° |
| C1 | C2 | N3 | H3 | 118.9° | 119.4° |
| C1 | C2 | N3 | H4 | 118.9° | 119.5° |
| C2 | C1 | C5 | C9 | 115.8° | 155.9° |
| C2 | C1 | C5 | C4 | 10.6° | 35.2° |
| C1 | C2 | N3 | C34 | 139.1° | 178.8° |
| C1 | C2 | N3 | C4 | 42.3° | 1.2° |
| C2 | C1 | H1 | H2 | 122.3° | 123.3° |
| C1 | C2 | H3 | H4 | 123.2° | 121.2° |
| C1 | C5 | S15 | C9 | 119.4° | 121.9° |
| C1 | C5 | S15 | C4 | 117.3° | 112.4° |
| C1 | C5 | S15 | C16 | 170.9° | 176.9° |
| C1 | C5 | C9 | C13 | 51.3° | 74.2° |
| C5 | C1 | C2 | N3 | 31.0° | 21.6° |
| C1 | C5 | C9 | C4 | 120.6° | 114.2° |
| C1 | C5 | C9 | C8 | 132.0° | 105.9° |
| C1 | C5 | C4 | N3 | 13.7° | 36.7° |
| C1 | C5 | C4 | C6 | 109.0° | 78.9° |
| C5 | C1 | H1 | H2 | 122.3° | 123.4° |
| C5 | C1 | C2 | H3 | 87.9° | 141.0° |
| C5 | C1 | C2 | H4 | 149.9° | 97.8° |
| C1 | C5 | C4 | H5 | 129.1° | 157.3° |
| S15 | C5 | C9 | C13 | 70.0° | 47.5° |
| S15 | C5 | C9 | C4 | 118.1° | 124.2° |
| C5 | S15 | C16 | C17 | 89.3° | 86.3° |
| C5 | S15 | C16 | C20 | 89.1° | 93.4° |
| S15 | C5 | C9 | C8 | 106.8° | 132.4° |
| S15 | C5 | C4 | N3 | 108.3° | 80.5° |
| S15 | C5 | C4 | C6 | 129.0° | 163.9° |
| S15 | C5 | C1 | H1 | 10.2° | 35.8° |
| S15 | C5 | C1 | H2 | 111.4° | 159.2° |
| S15 | C5 | C4 | H5 | 7.2° | 40.1° |
| C16 | S15 | C5 | C9 | 51.4° | 55.0° |
| C16 | S15 | C5 | C4 | 71.8° | 70.7° |
| S15 | C16 | C17 | C20 | 178.4° | 179.7° |
| S15 | C16 | C17 | C18 | 177.5° | 180.0° |
| S15 | C16 | C20 | C19 | 177.6° | 180.0° |
| S15 | C16 | C17 | H13 | 2.5° | 0.1° |
| S15 | C16 | C20 | H16 | 2.5° | 0.0° |
| F32 | C25 | F31 | F33 | 114.6° | 120.0° |
| F32 | C25 | F31 | C14 | 123.7° | 120.0° |
| F32 | C25 | F33 | C14 | 122.5° | 120.0° |
| F32 | C25 | C14 | C11 | 77.0° | 53.0° |
| F32 | C25 | C14 | C26 | 49.5° | 173.0° |
| F32 | C25 | C14 | F27 | 161.8° | 66.9° |
| C12 | C13 | C9 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | C13 | C9 | C5 | 175.5° | 180.0° |
| C12 | C13 | C9 | C8 | 1.4° | 0.1° |
| C13 | C12 | C11 | C14 | 177.3° | 180.0° |
| C13 | C12 | C11 | C10 | 1.0° | 0.0° |
| C9 | C13 | C12 | C11 | 0.2° | 0.1° |
| C13 | C9 | C5 | C8 | 176.8° | 179.9° |
| C13 | C9 | C5 | C4 | 171.9° | 171.7° |
| C13 | C9 | C8 | C10 | 1.3° | 0.0° |
| C13 | C9 | C8 | C7 | 178.7° | 180.0° |
| C9 | C13 | C12 | H11 | 179.8° | 179.9° |
| C12 | C11 | C14 | C25 | 25.1° | 17.2° |
| C12 | C11 | C14 | C10 | 178.2° | 180.0° |
| C12 | C11 | C14 | C26 | 101.6° | 102.8° |
| C12 | C11 | C14 | F27 | 143.0° | 137.1° |
| C12 | C11 | C10 | C8 | 1.0° | 0.0° |
| C12 | C11 | C10 | H10 | 179.0° | 180.0° |
| C11 | C12 | C13 | H12 | 179.8° | 180.0° |
| F31 | C25 | F33 | C14 | 122.7° | 120.0° |
| F31 | C25 | C14 | C11 | 43.9° | 173.0° |
| F31 | C25 | C14 | C26 | 170.3° | 67.0° |
| F31 | C25 | C14 | F27 | 77.4° | 53.0° |
| C2 | N3 | C4 | C5 | 34.9° | 23.8° |
| C2 | N3 | C34 | C35 | 2.5° | 4.3° |
| C2 | N3 | C34 | C4 | 178.5° | 180.0° |
| C2 | N3 | C34 | O36 | 176.6° | 175.7° |
| C2 | N3 | C4 | C6 | 89.8° | 92.9° |
| N3 | C2 | C1 | H1 | 88.3° | 140.0° |
| N3 | C2 | C1 | H2 | 150.2° | 96.7° |
| N3 | C2 | H3 | H4 | 123.2° | 121.1° |
| C2 | N3 | C4 | H5 | 149.3° | 144.9° |
| C9 | C5 | C4 | N3 | 136.9° | 155.6° |
| C9 | C5 | C4 | C6 | 14.1° | 40.1° |
| C5 | C9 | C8 | C10 | 175.5° | 179.9° |
| C5 | C9 | C8 | C7 | 4.4° | 0.1° |
| C9 | C5 | C1 | H1 | 124.9° | 85.7° |
| C9 | C5 | C1 | H2 | 3.4° | 37.6° |
| C9 | C5 | C4 | H5 | 107.7° | 83.8° |
| C5 | C9 | C13 | H12 | 4.6° | 0.1° |
| C4 | C5 | C9 | C8 | 11.4° | 8.2° |
| C5 | C4 | N3 | C34 | 146.3° | 156.1° |
| C5 | C4 | N3 | C6 | 124.7° | 116.7° |
| C5 | C4 | N3 | H5 | 114.4° | 121.0° |
| C5 | C4 | C6 | H5 | 121.5° | 124.2° |
| C5 | C4 | C6 | C7 | 45.2° | 65.4° |
| C4 | C5 | C1 | H1 | 108.6° | 153.5° |
| C4 | C5 | C1 | H2 | 129.8° | 83.2° |
| C5 | C4 | C6 | H6 | 75.1° | 54.6° |
| C5 | C4 | C6 | H7 | 165.6° | 174.6° |
| C16 | C17 | C18 | H13 | 180.0° | 179.9° |
| C16 | C17 | C18 | C21 | 0.2° | 0.1° |
| C17 | C16 | C20 | C19 | 0.8° | 0.3° |
| C16 | C17 | C18 | H14 | 179.8° | 180.0° |
| C17 | C16 | C20 | H16 | 179.2° | 179.7° |
| C18 | C17 | C16 | C20 | 0.9° | 0.3° |
| C17 | C18 | C21 | H14 | 180.0° | 180.0° |
| C17 | C18 | C21 | C19 | 0.5° | 0.3° |
| C17 | C18 | C21 | F22 | 179.0° | 180.0° |
| C16 | C20 | C19 | H16 | 180.0° | 179.9° |
| C16 | C20 | C19 | C21 | 0.0° | 0.0° |
| C20 | C16 | C17 | H13 | 179.1° | 179.8° |
| C16 | C20 | C19 | H15 | 180.0° | 180.0° |
| F33 | C25 | C14 | C11 | 163.7° | 67.0° |
| F33 | C25 | C14 | C26 | 69.8° | 53.0° |
| F33 | C25 | C14 | F27 | 42.5° | 173.1° |
| C25 | C14 | C26 | F28 | 72.4° | 60.2° |
| C25 | C14 | C11 | C26 | 126.7° | 120.0° |
| C25 | C14 | C11 | F27 | 118.0° | 120.0° |
| C25 | C14 | C11 | C10 | 156.7° | 162.9° |
| C25 | C14 | C26 | F27 | 112.5° | 120.0° |
| C25 | C14 | C26 | F29 | 47.5° | 179.8° |
| C25 | C14 | C26 | F30 | 167.6° | 59.8° |
| C9 | C8 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C10 | C7 | 179.9° | 180.0° |
| C9 | C8 | C7 | C6 | 27.9° | 24.0° |
| C9 | C8 | C7 | H8 | 92.6° | 144.0° |
| C9 | C8 | C7 | H9 | 148.5° | 96.1° |
| C9 | C8 | C10 | H10 | 179.8° | 180.0° |
| C8 | C9 | C13 | H12 | 178.6° | 180.0° |
| F28 | C26 | C14 | C11 | 55.9° | 59.8° |
| F28 | C26 | C14 | F29 | 119.9° | 120.1° |
| F28 | C26 | C14 | F30 | 120.0° | 119.9° |
| F28 | C26 | C14 | F27 | 175.1° | 179.8° |
| F28 | C26 | F29 | F30 | 115.0° | 120.0° |
| C37 | C38 | C39 | H20 | 120.2° | 120.0° |
| C37 | C38 | C39 | H21 | 120.3° | 120.0° |
| C38 | C37 | C35 | H18 | 120.3° | 120.0° |
| C38 | C37 | C35 | H19 | 120.3° | 120.1° |
| C38 | C37 | C35 | C34 | 177.4° | 180.0° |
| C38 | C37 | C35 | C41 | 56.5° | 60.0° |
| C37 | C38 | C39 | C42 | 176.9° | 180.0° |
| C37 | C38 | C39 | C40 | 56.3° | 60.1° |
| C38 | C37 | C35 | H17 | 62.5° | 60.0° |
| C38 | C37 | H18 | H19 | 119.0° | 120.1° |
| C37 | C38 | H20 | H21 | 119.2° | 120.0° |
| C37 | C38 | C39 | H22 | 59.3° | 60.0° |
| C39 | C38 | C37 | C35 | 57.6° | 60.1° |
| C38 | C39 | C42 | O44 | 39.6° | 0.0° |
| C38 | C39 | C42 | O43 | 140.5° | 180.0° |
| C38 | C39 | C42 | C40 | 124.8° | 119.9° |
| C38 | C39 | C42 | H22 | 117.5° | 120.0° |
| C38 | C39 | C40 | H22 | 115.6° | 120.1° |
| C38 | C39 | C40 | C41 | 56.7° | 60.0° |
| C39 | C38 | C37 | H18 | 62.8° | 180.0° |
| C39 | C38 | C37 | H19 | 177.9° | 60.0° |
| C39 | C38 | H20 | H21 | 119.2° | 120.0° |
| C38 | C39 | C40 | H23 | 63.6° | 59.9° |
| C38 | C39 | C40 | H24 | 176.9° | 180.0° |
| C37 | C35 | C34 | C41 | 120.1° | 120.0° |
| C37 | C35 | C34 | H17 | 120.0° | 120.0° |
| C37 | C35 | C41 | H17 | 119.0° | 120.0° |
| C37 | C35 | C34 | N3 | 168.0° | 170.1° |
| C37 | C35 | C34 | O36 | 11.0° | 9.9° |
| C37 | C35 | C41 | C40 | 56.9° | 60.0° |
| C35 | C37 | H18 | H19 | 119.0° | 119.9° |
| C35 | C37 | C38 | H20 | 62.7° | 60.0° |
| C35 | C37 | C38 | H21 | 177.8° | 180.0° |
| C37 | C35 | C41 | H25 | 63.5° | 60.0° |
| C37 | C35 | C41 | H26 | 177.2° | 180.0° |
| C34 | C35 | C41 | H17 | 120.0° | 120.0° |
| C35 | C34 | N3 | O36 | 179.1° | 180.0° |
| C35 | C34 | N3 | C4 | 176.0° | 175.7° |
| C34 | C35 | C41 | C40 | 177.9° | 180.0° |
| C34 | C35 | C37 | H18 | 57.1° | 60.0° |
| C34 | C35 | C37 | H19 | 62.3° | 59.9° |
| C34 | C35 | C41 | H25 | 57.6° | 60.0° |
| C34 | C35 | C41 | H26 | 61.8° | 60.0° |
| C41 | C35 | C34 | N3 | 71.9° | 69.9° |
| C41 | C35 | C34 | O36 | 109.1° | 110.1° |
| C35 | C41 | C40 | C39 | 58.2° | 60.0° |
| C35 | C41 | C40 | H25 | 120.3° | 120.0° |
| C35 | C41 | C40 | H26 | 120.3° | 120.0° |
| C41 | C35 | C37 | H18 | 63.8° | 180.0° |
| C41 | C35 | C37 | H19 | 176.9° | 60.1° |
| C35 | C41 | C40 | H23 | 62.0° | 60.0° |
| C35 | C41 | C40 | H24 | 178.5° | 180.0° |
| C35 | C41 | H25 | H26 | 119.0° | 120.0° |
| C34 | N3 | C4 | C6 | 89.0° | 87.1° |
| C34 | N3 | C2 | H3 | 102.1° | 61.8° |
| C34 | N3 | C2 | H4 | 20.2° | 59.3° |
| C34 | N3 | C4 | H5 | 31.8° | 35.1° |
| N3 | C34 | C35 | H17 | 48.1° | 50.1° |
| C4 | N3 | C34 | O36 | 5.0° | 4.3° |
| N3 | C4 | C6 | H5 | 121.3° | 122.3° |
| N3 | C4 | C6 | C7 | 162.4° | 178.9° |
| C4 | N3 | C2 | H3 | 76.5° | 118.2° |
| C4 | N3 | C2 | H4 | 161.2° | 120.7° |
| N3 | C4 | C6 | H6 | 42.1° | 58.8° |
| N3 | C4 | C6 | H7 | 77.2° | 61.2° |
| C11 | C14 | C26 | F27 | 119.2° | 120.0° |
| C11 | C14 | C26 | F29 | 175.8° | 60.3° |
| C11 | C14 | C26 | F30 | 64.1° | 179.7° |
| C14 | C11 | C10 | C8 | 177.3° | 179.9° |
| C14 | C11 | C10 | H10 | 2.7° | 0.0° |
| C14 | C11 | C12 | H11 | 2.7° | 0.0° |
| C10 | C11 | C14 | C26 | 76.6° | 77.1° |
| C10 | C11 | C14 | F27 | 38.7° | 42.9° |
| C11 | C10 | C8 | H10 | 180.0° | 180.0° |
| C11 | C10 | C8 | C7 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 179.0° | 179.9° |
| C18 | C21 | C19 | C20 | 0.6° | 0.3° |
| C18 | C21 | C19 | F22 | 179.5° | 179.7° |
| C21 | C18 | C17 | H13 | 179.7° | 180.0° |
| C18 | C21 | C19 | H15 | 179.4° | 179.7° |
| O44 | C42 | O43 | C39 | 179.9° | 180.0° |
| O44 | C42 | C39 | C40 | 164.4° | 120.0° |
| O44 | C42 | C39 | H22 | 77.9° | 120.0° |
| O44 | C42 | O43 | H27 | 0.0° | 0.0° |
| O36 | C34 | C35 | H17 | 131.0° | 129.9° |
| O43 | C42 | C39 | C40 | 15.6° | 60.1° |
| O43 | C42 | C39 | H22 | 102.0° | 60.0° |
| C20 | C19 | C21 | H15 | 180.0° | 180.0° |
| C20 | C19 | C21 | F22 | 178.9° | 180.0° |
| C4 | C6 | C7 | C8 | 51.9° | 56.0° |
| C4 | C6 | C7 | H6 | 120.4° | 120.0° |
| C4 | C6 | C7 | H7 | 120.4° | 120.0° |
| C4 | C6 | H6 | H7 | 118.9° | 120.0° |
| C4 | C6 | C7 | H8 | 68.6° | 176.0° |
| C4 | C6 | C7 | H9 | 172.5° | 64.1° |
| C42 | C39 | C40 | H22 | 117.8° | 120.0° |
| C42 | C39 | C40 | C41 | 176.7° | 180.0° |
| C42 | C39 | C38 | H20 | 62.9° | 60.0° |
| C42 | C39 | C38 | H21 | 56.6° | 60.1° |
| C42 | C39 | C40 | H23 | 63.0° | 60.0° |
| C42 | C39 | C40 | H24 | 56.5° | 60.1° |
| C39 | C42 | O43 | H27 | 179.9° | 180.0° |
| C39 | C40 | C41 | H23 | 120.3° | 120.0° |
| C39 | C40 | C41 | H24 | 120.3° | 120.0° |
| C40 | C39 | C38 | H20 | 63.9° | 59.9° |
| C40 | C39 | C38 | H21 | 176.6° | 180.0° |
| C39 | C40 | H23 | H24 | 119.2° | 120.1° |
| C39 | C40 | C41 | H25 | 62.1° | 60.0° |
| C39 | C40 | C41 | H26 | 178.6° | 180.0° |
| C40 | C41 | C35 | H17 | 62.1° | 60.0° |
| C41 | C40 | C39 | H22 | 58.9° | 60.0° |
| C41 | C40 | H23 | H24 | 119.2° | 120.0° |
| C40 | C41 | H25 | H26 | 119.1° | 120.0° |
| C14 | C26 | F29 | F30 | 122.5° | 120.0° |
| F27 | C14 | C26 | F29 | 65.0° | 59.7° |
| F27 | C14 | C26 | F30 | 55.1° | 60.3° |
| C10 | C8 | C7 | C6 | 152.1° | 156.0° |
| C10 | C8 | C7 | H8 | 87.3° | 36.0° |
| C10 | C8 | C7 | H9 | 31.6° | 83.9° |
| C8 | C7 | C6 | H8 | 120.5° | 120.0° |
| C8 | C7 | C6 | H9 | 120.6° | 120.1° |
| C8 | C7 | C6 | H6 | 68.4° | 64.0° |
| C8 | C7 | C6 | H7 | 172.3° | 175.9° |
| C8 | C7 | H8 | H9 | 118.3° | 119.8° |
| C7 | C8 | C10 | H10 | 0.1° | 0.0° |
| C19 | C21 | C18 | H14 | 179.5° | 179.7° |
| C21 | C19 | C20 | H16 | 179.9° | 180.0° |
| F22 | C21 | C18 | H14 | 1.0° | 0.0° |
| F22 | C21 | C19 | H15 | 1.1° | 0.0° |
| C7 | C6 | C4 | H5 | 76.3° | 58.8° |
| C7 | C6 | H6 | H7 | 118.8° | 120.1° |
| C6 | C7 | H8 | H9 | 118.3° | 119.9° |
| H1 | C1 | C2 | H3 | 152.8° | 100.7° |
| H1 | C1 | C2 | H4 | 30.6° | 20.5° |
| H2 | C1 | C2 | H3 | 31.3° | 22.6° |
| H2 | C1 | C2 | H4 | 90.9° | 143.8° |
| H5 | C4 | C6 | H6 | 163.4° | 178.8° |
| H5 | C4 | C6 | H7 | 44.1° | 61.1° |
| H6 | C6 | C7 | H8 | 171.0° | 56.0° |
| H6 | C6 | C7 | H9 | 52.1° | 176.0° |
| H7 | C6 | C7 | H8 | 51.7° | 64.1° |
| H7 | C6 | C7 | H9 | 67.1° | 55.9° |
| H11 | C12 | C13 | H12 | 0.2° | 0.0° |
| H13 | C17 | C18 | H14 | 0.3° | 0.1° |
| H15 | C19 | C20 | H16 | 0.1° | 0.0° |
| H17 | C35 | C37 | H18 | 177.2° | 60.0° |
| H17 | C35 | C37 | H19 | 57.9° | 179.9° |
| H17 | C35 | C41 | H25 | 177.6° | NaN° |
| H17 | C35 | C41 | H26 | 58.2° | 60.0° |
| H18 | C37 | C38 | H20 | 177.0° | 60.0° |
| H18 | C37 | C38 | H21 | 57.5° | 60.0° |
| H19 | C37 | C38 | H20 | 57.6° | 180.0° |
| H19 | C37 | C38 | H21 | 61.9° | 59.9° |
| H20 | C38 | C39 | H22 | 179.5° | 180.0° |
| H21 | C38 | C39 | H22 | 61.0° | 60.0° |
| H22 | C39 | C40 | H23 | 179.2° | 180.0° |
| H22 | C39 | C40 | H24 | 61.3° | 59.9° |
| H23 | C40 | C41 | H25 | 177.7° | 180.0° |
| H23 | C40 | C41 | H26 | 58.3° | 60.0° |
| H24 | C40 | C41 | H25 | 58.2° | 60.0° |
| H24 | C40 | C41 | H26 | 61.2° | 60.0° |
