A1BKS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | S23 | doub | 1.42Å | 1.43Å | |
| O24 | S23 | doub | 1.42Å | 1.43Å | |
| S23 | N20 | sing | 1.66Å | 1.63Å | |
| S23 | C26 | sing | 1.76Å | 1.76Å | |
| N20 | C19 | sing | 1.47Å | 1.47Å | |
| N20 | C21 | sing | 1.47Å | 1.48Å | |
| C27 | C26 | doub | 1.36Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C26 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| O16 | C15 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C28 | C34 | sing | 1.46Å | 1.42Å | Aromatic |
| C28 | C29 | doub | 1.41Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.37Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.53Å | 1.53Å | |
| C34 | N33 | doub | 1.30Å | 1.32Å | Aromatic |
| C17 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | N4 | sing | 1.35Å | 1.35Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | N32 | sing | 1.37Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| N33 | N32 | sing | 1.40Å | 1.36Å | Aromatic |
| N4 | C3 | sing | 1.46Å | 1.47Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C5 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C13 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | F14 | sing | 1.35Å | 1.35Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| N32 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | S23 | O24 | 119.9° | 123.1° |
| O25 | S23 | N20 | 106.5° | 106.4° |
| O25 | S23 | C26 | 108.0° | 106.4° |
| O24 | S23 | N20 | 106.6° | 106.4° |
| O24 | S23 | C26 | 108.1° | 106.4° |
| N20 | S23 | C26 | 107.3° | 107.2° |
| S23 | N20 | C19 | 115.3° | 120.6° |
| S23 | N20 | C21 | 119.6° | 120.6° |
| S23 | C26 | C27 | 118.8° | 119.7° |
| S23 | C26 | C31 | 119.8° | 119.7° |
| C19 | N20 | C21 | 112.3° | 118.8° |
| N20 | C19 | C18 | 108.5° | 108.8° |
| N20 | C19 | H19 | 109.7° | 109.7° |
| N20 | C19 | H20 | 109.7° | 109.7° |
| N20 | C21 | C22 | 109.6° | 108.8° |
| N20 | C21 | H8 | 109.5° | 109.6° |
| N20 | C21 | H9 | 109.4° | 109.7° |
| C26 | C27 | C28 | 119.6° | 119.6° |
| C27 | C26 | C31 | 121.3° | 120.7° |
| C26 | C27 | H23 | 120.2° | 120.3° |
| C27 | C28 | C34 | 136.7° | 134.0° |
| C27 | C28 | C29 | 119.0° | 119.7° |
| C28 | C27 | H23 | 120.2° | 120.2° |
| C19 | C18 | C17 | 109.2° | 109.3° |
| C19 | C18 | H17 | 109.5° | 109.5° |
| C19 | C18 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.7° | 109.6° |
| C18 | C19 | H20 | 109.7° | 109.5° |
| C26 | C31 | C30 | 119.7° | 120.8° |
| C26 | C31 | H27 | 120.1° | 119.6° |
| C18 | C17 | C22 | 109.3° | 109.5° |
| C18 | C17 | C15 | 110.1° | 109.5° |
| C18 | C17 | H7 | 109.1° | 109.5° |
| C17 | C18 | H17 | 109.6° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| O16 | C15 | C17 | 119.8° | 120.0° |
| O16 | C15 | N4 | 121.4° | 120.0° |
| C21 | C22 | C17 | 110.8° | 109.3° |
| C22 | C21 | H8 | 109.4° | 109.6° |
| C22 | C21 | H9 | 109.4° | 109.6° |
| C21 | C22 | H10 | 109.1° | 109.5° |
| C21 | C22 | H11 | 109.1° | 109.5° |
| C34 | C28 | C29 | 104.3° | 106.3° |
| C28 | C34 | N33 | 111.4° | 107.8° |
| C28 | C34 | H28 | 124.3° | 126.1° |
| C28 | C29 | C30 | 121.4° | 119.4° |
| C28 | C29 | N32 | 106.5° | 106.8° |
| C31 | C30 | C29 | 119.0° | 119.8° |
| C31 | C30 | H26 | 120.5° | 120.1° |
| C30 | C31 | H27 | 120.2° | 119.6° |
| C22 | C17 | C15 | 109.9° | 109.5° |
| C22 | C17 | H7 | 109.0° | 109.4° |
| C17 | C22 | H10 | 109.1° | 109.5° |
| C17 | C22 | H11 | 109.1° | 109.5° |
| C34 | N33 | N32 | 106.1° | 110.1° |
| N33 | C34 | H28 | 124.3° | 126.1° |
| C17 | C15 | N4 | 118.8° | 120.0° |
| C15 | C17 | H7 | 109.3° | 109.5° |
| C15 | N4 | C3 | 118.7° | 120.0° |
| C15 | N4 | C5 | 124.0° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C11 | C10 | C9 | 119.7° | 120.2° |
| C11 | C10 | H6 | 120.2° | 119.9° |
| C10 | C11 | H15 | 119.7° | 120.0° |
| C11 | C12 | C13 | 118.3° | 119.9° |
| C12 | C11 | H15 | 119.8° | 120.0° |
| C11 | C12 | H16 | 120.8° | 120.0° |
| C30 | C29 | N32 | 132.0° | 133.8° |
| C29 | C30 | H26 | 120.5° | 120.1° |
| C29 | N32 | N33 | 111.6° | 109.1° |
| C29 | N32 | H29 | 124.2° | 125.5° |
| C10 | C9 | C5 | 130.5° | 130.4° |
| C10 | C9 | C8 | 120.1° | 119.9° |
| C9 | C10 | H6 | 120.2° | 119.9° |
| N33 | N32 | H29 | 124.2° | 125.5° |
| C3 | N4 | C5 | 117.2° | 120.0° |
| N4 | C3 | C2 | 113.3° | 109.5° |
| N4 | C3 | H24 | 108.5° | 109.5° |
| N4 | C3 | H25 | 108.5° | 109.5° |
| N4 | C5 | C9 | 112.6° | 110.4° |
| N4 | C5 | C6 | 116.9° | 110.3° |
| N4 | C5 | H1 | 108.5° | 110.3° |
| C3 | C2 | C1 | 111.2° | 109.5° |
| C3 | C2 | H21 | 109.0° | 109.5° |
| C3 | C2 | H22 | 109.0° | 109.5° |
| C2 | C3 | H24 | 108.5° | 109.5° |
| C2 | C3 | H25 | 108.5° | 109.4° |
| C12 | C13 | C8 | 122.6° | 120.1° |
| C12 | C13 | F14 | 119.4° | 119.9° |
| C13 | C12 | H16 | 120.9° | 120.1° |
| C5 | C9 | C8 | 109.4° | 109.7° |
| C9 | C5 | C6 | 102.7° | 105.2° |
| C9 | C5 | H1 | 108.0° | 110.3° |
| C9 | C8 | C13 | 118.8° | 119.8° |
| C9 | C8 | C7 | 110.6° | 109.8° |
| C5 | C6 | C7 | 103.8° | 102.4° |
| C6 | C5 | H1 | 107.6° | 110.3° |
| C5 | C6 | H2 | 110.9° | 110.8° |
| C5 | C6 | H3 | 110.9° | 110.8° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C1 | C2 | H21 | 109.0° | 109.5° |
| C1 | C2 | H22 | 109.0° | 109.4° |
| C8 | C13 | F14 | 118.0° | 119.9° |
| C13 | C8 | C7 | 130.6° | 130.4° |
| C8 | C7 | C6 | 102.7° | 105.1° |
| C8 | C7 | H4 | 111.1° | 110.4° |
| C8 | C7 | H5 | 111.1° | 110.4° |
| C7 | C6 | H2 | 110.9° | 110.9° |
| C7 | C6 | H3 | 110.9° | 110.8° |
| C6 | C7 | H4 | 111.1° | 110.3° |
| C6 | C7 | H5 | 111.1° | 110.3° |
| H2 | C6 | H3 | 109.5° | 110.9° |
| H4 | C7 | H5 | 109.5° | 110.3° |
| H8 | C21 | H9 | 109.5° | 109.6° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.6° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| H24 | C3 | H25 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | S23 | O24 | N20 | 120.8° | 122.9° |
| O25 | S23 | O24 | C26 | 124.1° | 123.0° |
| O25 | S23 | N20 | C26 | 115.4° | 113.5° |
| O25 | S23 | N20 | C19 | 44.8° | 156.4° |
| O25 | S23 | N20 | C21 | 176.5° | 23.5° |
| O25 | S23 | C26 | C27 | 12.6° | 156.7° |
| O25 | S23 | C26 | C31 | 162.7° | 23.5° |
| O24 | S23 | N20 | C26 | 115.6° | 113.6° |
| O24 | S23 | N20 | C19 | 173.8° | 23.5° |
| O24 | S23 | N20 | C21 | 47.5° | 156.5° |
| O24 | S23 | C26 | C27 | 143.6° | 23.7° |
| O24 | S23 | C26 | C31 | 31.7° | 156.4° |
| S23 | N20 | C19 | C21 | 141.7° | 180.0° |
| N20 | S23 | C26 | C27 | 101.9° | 89.8° |
| S23 | N20 | C19 | C18 | 155.6° | 126.4° |
| N20 | S23 | C26 | C31 | 82.8° | 90.0° |
| S23 | N20 | C21 | C22 | 161.0° | 126.4° |
| S23 | N20 | C21 | H8 | 41.0° | 113.8° |
| S23 | N20 | C21 | H9 | 79.0° | 6.6° |
| S23 | N20 | C19 | H19 | 84.5° | 6.6° |
| S23 | N20 | C19 | H20 | 35.8° | 113.8° |
| C26 | S23 | N20 | C19 | 70.6° | 90.0° |
| C26 | S23 | N20 | C21 | 68.1° | 90.0° |
| S23 | C26 | C27 | C31 | 175.2° | 179.8° |
| S23 | C26 | C27 | C28 | 175.2° | 179.7° |
| S23 | C26 | C31 | C30 | 175.1° | 179.7° |
| S23 | C26 | C27 | H23 | 4.8° | 0.2° |
| S23 | C26 | C31 | H27 | 4.9° | 0.2° |
| N20 | C19 | C18 | H19 | 119.8° | 119.9° |
| N20 | C19 | C18 | H20 | 119.9° | 119.9° |
| N20 | C19 | C18 | C17 | 61.4° | 54.6° |
| C19 | N20 | C21 | C22 | 59.2° | 53.6° |
| C19 | N20 | C21 | H8 | 179.2° | 66.2° |
| C19 | N20 | C21 | H9 | 60.8° | 173.4° |
| N20 | C19 | C18 | H17 | 178.6° | 65.3° |
| N20 | C19 | C18 | H18 | 58.5° | 174.6° |
| N20 | C19 | H19 | H20 | 120.5° | 120.4° |
| C21 | N20 | C19 | C18 | 62.7° | 53.6° |
| N20 | C21 | C22 | H8 | 120.0° | 119.8° |
| N20 | C21 | C22 | H9 | 120.0° | 120.0° |
| N20 | C21 | C22 | C17 | 54.9° | 54.6° |
| N20 | C21 | H8 | H9 | 120.0° | 120.5° |
| N20 | C21 | C22 | H10 | 65.3° | 174.6° |
| N20 | C21 | C22 | H11 | 175.1° | 65.4° |
| C21 | N20 | C19 | H19 | 57.1° | 173.4° |
| C21 | N20 | C19 | H20 | 177.5° | 66.2° |
| C26 | C27 | C28 | H23 | 180.0° | 180.0° |
| C26 | C27 | C28 | C34 | 179.5° | 179.9° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C27 | C26 | C31 | C30 | 0.0° | 0.1° |
| C27 | C26 | C31 | H27 | 179.9° | 180.0° |
| C28 | C27 | C26 | C31 | 0.0° | 0.1° |
| C27 | C28 | C34 | C29 | 179.5° | 179.9° |
| C27 | C28 | C34 | N33 | 179.4° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C27 | C28 | C29 | N32 | 179.6° | 180.0° |
| C27 | C28 | C34 | H28 | 0.6° | 0.1° |
| C19 | C18 | C17 | H17 | 120.0° | 119.9° |
| C19 | C18 | C17 | H18 | 120.0° | 120.0° |
| C19 | C18 | C17 | C22 | 58.6° | 61.4° |
| C19 | C18 | C17 | C15 | 179.4° | 178.6° |
| C19 | C18 | C17 | H7 | 60.6° | 58.6° |
| C19 | C18 | H17 | H18 | 120.1° | 120.1° |
| C18 | C19 | H19 | H20 | 120.4° | 120.2° |
| C26 | C31 | C30 | H27 | 180.0° | 179.9° |
| C26 | C31 | C30 | C29 | 0.1° | 0.1° |
| C31 | C26 | C27 | H23 | 180.0° | 179.9° |
| C26 | C31 | C30 | H26 | 179.9° | 180.0° |
| C18 | C17 | C15 | O16 | 78.0° | 112.6° |
| C18 | C17 | C22 | C21 | 55.4° | 61.4° |
| C18 | C17 | C22 | C15 | 121.0° | 120.0° |
| C18 | C17 | C22 | H7 | 119.2° | 120.0° |
| C18 | C17 | C15 | H7 | 119.8° | 120.0° |
| C18 | C17 | C15 | N4 | 99.0° | 67.5° |
| C18 | C17 | C22 | H10 | 64.8° | 178.7° |
| C18 | C17 | C22 | H11 | 175.6° | 58.6° |
| C17 | C18 | H17 | H18 | 120.1° | 120.1° |
| C17 | C18 | C19 | H19 | 58.4° | 174.5° |
| C17 | C18 | C19 | H20 | 178.7° | 65.3° |
| O16 | C15 | C17 | C22 | 42.5° | 7.5° |
| O16 | C15 | C17 | N4 | 177.0° | 179.9° |
| O16 | C15 | N4 | C3 | 6.0° | 177.9° |
| O16 | C15 | N4 | C5 | 170.2° | 2.1° |
| O16 | C15 | C17 | H7 | 162.1° | 127.4° |
| C21 | C22 | C17 | H10 | 120.2° | 119.9° |
| C21 | C22 | C17 | H11 | 120.2° | 120.0° |
| C21 | C22 | C17 | C15 | 176.4° | 178.6° |
| C21 | C22 | C17 | H7 | 63.8° | 58.6° |
| C22 | C21 | H8 | H9 | 119.9° | 120.2° |
| C21 | C22 | H10 | H11 | 119.4° | 120.1° |
| C28 | C34 | N33 | H28 | 180.0° | 179.9° |
| C34 | C28 | C29 | C30 | 179.7° | 180.0° |
| C34 | C28 | C29 | N32 | 0.0° | 0.1° |
| C28 | C34 | N33 | N32 | 0.1° | 0.1° |
| C34 | C28 | C27 | H23 | 0.6° | 0.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C28 | C34 | N33 | 0.0° | 0.1° |
| C28 | C29 | C30 | N32 | 179.6° | 179.9° |
| C28 | C29 | N32 | N33 | 0.1° | 0.0° |
| C29 | C28 | C27 | H23 | 180.0° | 180.0° |
| C28 | C29 | C30 | H26 | 179.9° | 179.9° |
| C29 | C28 | C34 | H28 | 180.0° | 180.0° |
| C28 | C29 | N32 | H29 | 179.9° | 180.0° |
| C31 | C30 | C29 | H26 | 180.0° | 180.0° |
| C31 | C30 | C29 | N32 | 179.5° | 179.9° |
| C22 | C17 | C15 | H7 | 119.7° | 119.9° |
| C22 | C17 | C15 | N4 | 140.5° | 172.5° |
| C17 | C22 | C21 | H8 | 174.9° | 65.2° |
| C17 | C22 | C21 | H9 | 65.2° | 174.6° |
| C17 | C22 | H10 | H11 | 119.4° | 120.1° |
| C22 | C17 | C18 | H17 | 178.5° | 58.6° |
| C22 | C17 | C18 | H18 | 61.4° | 178.7° |
| C34 | N33 | N32 | C29 | 0.1° | 0.0° |
| C34 | N33 | N32 | H29 | 179.9° | 180.0° |
| C17 | C15 | N4 | C3 | 177.1° | 2.0° |
| C17 | C15 | N4 | C5 | 6.8° | 178.0° |
| C15 | C17 | C22 | H10 | 56.2° | 58.7° |
| C15 | C17 | C22 | H11 | 63.4° | 61.4° |
| C15 | C17 | C18 | H17 | 60.6° | 61.4° |
| C15 | C17 | C18 | H18 | 59.5° | 58.7° |
| C15 | N4 | C3 | C5 | 176.5° | 180.0° |
| C15 | N4 | C3 | C2 | 75.6° | 107.2° |
| C15 | N4 | C5 | C9 | 110.4° | 55.8° |
| C15 | N4 | C5 | C6 | 131.0° | 60.0° |
| C15 | N4 | C5 | H1 | 9.1° | 177.9° |
| N4 | C15 | C17 | H7 | 20.8° | 52.5° |
| C15 | N4 | C3 | H24 | 163.9° | 12.8° |
| C15 | N4 | C3 | H25 | 45.0° | 132.9° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C11 | C10 | C9 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C9 | C5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C10 | C11 | C12 | H16 | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | C8 | 0.2° | 0.1° |
| C11 | C12 | C13 | F14 | 177.3° | 180.0° |
| C12 | C11 | C10 | H6 | 179.9° | 179.9° |
| C30 | C29 | N32 | N33 | 179.5° | 180.0° |
| C29 | C30 | C31 | H27 | 179.9° | 179.9° |
| C30 | C29 | N32 | H29 | 0.4° | 0.1° |
| C29 | N32 | N33 | H29 | 180.0° | 180.0° |
| N32 | C29 | C30 | H26 | 0.5° | 0.0° |
| C10 | C9 | C5 | N4 | 35.2° | 43.8° |
| C10 | C9 | C5 | C8 | 179.8° | 180.0° |
| C10 | C9 | C5 | C6 | 161.8° | 162.8° |
| C10 | C9 | C8 | C13 | 0.2° | 0.0° |
| C10 | C9 | C8 | C7 | 178.2° | 180.0° |
| C10 | C9 | C5 | H1 | 84.6° | 78.3° |
| C9 | C10 | C11 | H15 | 179.9° | 180.0° |
| N32 | N33 | C34 | H28 | 179.9° | 179.9° |
| N4 | C3 | C2 | H24 | 120.6° | 120.0° |
| N4 | C3 | C2 | H25 | 120.6° | 120.0° |
| C3 | N4 | C5 | C9 | 65.8° | 124.2° |
| C3 | N4 | C5 | C6 | 52.8° | 120.0° |
| N4 | C3 | C2 | C1 | 176.9° | 173.7° |
| C3 | N4 | C5 | H1 | 174.6° | 2.1° |
| N4 | C3 | C2 | H21 | 56.7° | 66.3° |
| N4 | C3 | C2 | H22 | 62.8° | 53.7° |
| N4 | C3 | H24 | H25 | 118.3° | 120.0° |
| C5 | N4 | C3 | C2 | 108.0° | 72.8° |
| N4 | C5 | C9 | C6 | 126.6° | 119.0° |
| N4 | C5 | C9 | H1 | 119.8° | 122.1° |
| N4 | C5 | C9 | C8 | 145.0° | 136.2° |
| N4 | C5 | C6 | H1 | 122.3° | 122.1° |
| N4 | C5 | C6 | C7 | 154.4° | 145.4° |
| N4 | C5 | C6 | H2 | 35.3° | 27.1° |
| N4 | C5 | C6 | H3 | 86.5° | 96.4° |
| C5 | N4 | C3 | H24 | 12.6° | 167.2° |
| C5 | N4 | C3 | H25 | 131.4° | 47.2° |
| C3 | C2 | C1 | H21 | 120.2° | 120.1° |
| C3 | C2 | C1 | H22 | 120.3° | 120.0° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | H13 | 60.0° | 60.0° |
| C3 | C2 | C1 | H14 | 60.0° | 60.0° |
| C3 | C2 | H21 | H22 | 119.2° | 120.0° |
| C2 | C3 | H24 | H25 | 118.2° | 120.0° |
| C12 | C13 | C8 | C9 | 0.3° | 0.1° |
| C12 | C13 | C8 | F14 | 177.5° | 179.9° |
| C12 | C13 | C8 | C7 | 177.8° | 180.0° |
| C13 | C12 | C11 | H15 | 179.9° | 180.0° |
| C9 | C5 | C6 | H1 | 113.9° | 118.9° |
| C5 | C9 | C8 | C13 | 179.9° | 180.0° |
| C5 | C9 | C8 | C7 | 1.6° | 0.0° |
| C9 | C5 | C6 | C7 | 30.6° | 26.3° |
| C9 | C5 | C6 | H2 | 88.5° | 91.9° |
| C9 | C5 | C6 | H3 | 149.7° | 144.5° |
| C5 | C9 | C10 | H6 | 0.0° | 0.1° |
| C8 | C9 | C5 | C6 | 18.4° | 17.2° |
| C9 | C8 | C13 | C7 | 178.1° | 180.0° |
| C9 | C8 | C13 | F14 | 177.2° | 180.0° |
| C9 | C8 | C7 | C6 | 21.2° | 17.2° |
| C8 | C9 | C5 | H1 | 95.2° | 101.8° |
| C9 | C8 | C7 | H4 | 97.7° | 136.1° |
| C9 | C8 | C7 | H5 | 140.1° | 101.7° |
| C8 | C9 | C10 | H6 | 179.9° | 179.9° |
| C5 | C6 | C7 | C8 | 31.5° | 26.3° |
| C5 | C6 | C7 | H2 | 119.1° | 118.2° |
| C5 | C6 | C7 | H3 | 119.1° | 118.2° |
| C5 | C6 | H2 | H3 | 122.6° | 123.5° |
| C5 | C6 | C7 | H4 | 87.4° | 145.3° |
| C5 | C6 | C7 | H5 | 150.4° | 92.7° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 119.2° | 120.0° |
| C1 | C2 | C3 | H24 | 62.5° | 53.6° |
| C1 | C2 | C3 | H25 | 56.4° | 66.4° |
| C13 | C8 | C7 | C6 | 160.6° | 162.8° |
| C13 | C8 | C7 | H4 | 80.5° | 44.0° |
| C13 | C8 | C7 | H5 | 41.7° | 78.2° |
| C8 | C13 | C12 | H16 | 179.8° | 180.0° |
| F14 | C13 | C8 | C7 | 4.7° | 0.1° |
| F14 | C13 | C12 | H16 | 2.7° | 0.1° |
| C8 | C7 | C6 | H4 | 118.9° | 119.0° |
| C8 | C7 | C6 | H5 | 118.9° | 119.0° |
| C8 | C7 | C6 | H2 | 87.6° | 91.9° |
| C8 | C7 | C6 | H3 | 150.6° | 144.5° |
| C8 | C7 | H4 | H5 | 123.2° | 122.3° |
| C7 | C6 | C5 | H1 | 83.3° | 92.6° |
| C7 | C6 | H2 | H3 | 122.6° | 123.5° |
| C6 | C7 | H4 | H5 | 123.1° | 122.0° |
| H1 | C5 | C6 | H2 | 157.6° | 149.2° |
| H1 | C5 | C6 | H3 | 35.8° | 25.7° |
| H2 | C6 | C7 | H4 | 153.5° | 27.1° |
| H2 | C6 | C7 | H5 | 31.3° | 149.1° |
| H3 | C6 | C7 | H4 | 31.6° | 96.5° |
| H3 | C6 | C7 | H5 | 90.5° | 25.5° |
| H6 | C10 | C11 | H15 | 0.0° | 0.1° |
| H7 | C17 | C22 | H10 | 176.0° | 61.3° |
| H7 | C17 | C22 | H11 | 56.4° | 178.6° |
| H7 | C17 | C18 | H17 | 59.4° | 178.5° |
| H7 | C17 | C18 | H18 | 179.5° | 61.4° |
| H8 | C21 | C22 | H10 | 54.7° | 54.8° |
| H8 | C21 | C22 | H11 | 64.9° | 174.8° |
| H9 | C21 | C22 | H10 | 174.7° | 65.5° |
| H9 | C21 | C22 | H11 | 55.0° | 54.6° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H21 | 59.8° | 60.0° |
| H12 | C1 | C2 | H22 | 59.7° | 60.0° |
| H13 | C1 | C2 | H21 | 179.7° | 60.0° |
| H13 | C1 | C2 | H22 | 60.3° | 180.0° |
| H14 | C1 | C2 | H21 | 60.2° | 180.0° |
| H14 | C1 | C2 | H22 | 179.7° | 60.0° |
| H15 | C11 | C12 | H16 | 0.1° | 0.0° |
| H17 | C18 | C19 | H19 | 61.6° | 54.5° |
| H17 | C18 | C19 | H20 | 58.7° | 174.8° |
| H18 | C18 | C19 | H19 | 178.4° | 65.6° |
| H18 | C18 | C19 | H20 | 61.3° | 54.7° |
| H21 | C2 | C3 | H24 | 177.3° | 173.7° |
| H21 | C2 | C3 | H25 | 63.9° | 53.7° |
| H22 | C2 | C3 | H24 | 57.8° | 66.3° |
| H22 | C2 | C3 | H25 | 176.6° | 173.7° |
| H26 | C30 | C31 | H27 | 0.1° | 0.1° |
