A1IV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL29 | C28 | sing | 1.74Å | 1.74Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.36Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C31 | F32 | sing | 1.35Å | 1.35Å | |
| O6 | S4 | doub | 1.42Å | 1.42Å | |
| C25 | N24 | sing | 1.40Å | 1.42Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | N24 | sing | 1.47Å | 1.46Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| N24 | C23 | sing | 1.47Å | 1.46Å | |
| O13 | S11 | doub | 1.42Å | 1.42Å | |
| S4 | C7 | sing | 1.76Å | 1.76Å | |
| S4 | N2 | sing | 1.65Å | 1.62Å | |
| S4 | O5 | doub | 1.42Å | 1.42Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C7 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| C10 | S11 | sing | 1.76Å | 1.76Å | |
| C10 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | N21 | sing | 1.47Å | 1.47Å | |
| S11 | O12 | doub | 1.42Å | 1.42Å | |
| S11 | N14 | sing | 1.66Å | 1.63Å | |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| N21 | C20 | sing | 1.40Å | 1.42Å | |
| N14 | C15 | sing | 1.40Å | 1.43Å | |
| C20 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.08Å | 1.08Å | |
| C16 | H46 | sing | 1.08Å | 1.08Å | |
| C19 | H49 | sing | 1.08Å | 1.08Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.09Å | 1.10Å | |
| C26 | H54 | sing | 1.08Å | 1.08Å | |
| C27 | H55 | sing | 1.08Å | 1.08Å | |
| C35 | H61 | sing | 1.08Å | 1.08Å | |
| C36 | H62 | sing | 1.08Å | 1.08Å | |
| C17 | H47 | sing | 1.08Å | 1.08Å | |
| C18 | H48 | sing | 1.08Å | 1.08Å | |
| C30 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.08Å | 1.08Å | |
| N14 | H45 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL29 | C28 | C27 | 119.4° | 119.9° |
| CL29 | C28 | C30 | 119.4° | 119.9° |
| C27 | C28 | C30 | 121.2° | 120.1° |
| C28 | C27 | C26 | 120.1° | 120.1° |
| C28 | C27 | H55 | 120.0° | 120.0° |
| C28 | C30 | C31 | 118.7° | 120.0° |
| C28 | C30 | H56 | 120.6° | 119.9° |
| C27 | C26 | C25 | 120.4° | 120.0° |
| C27 | C26 | H54 | 119.8° | 120.0° |
| C26 | C27 | H55 | 119.9° | 119.9° |
| C30 | C31 | C25 | 122.1° | 119.9° |
| C30 | C31 | F32 | 118.8° | 120.1° |
| C31 | C30 | H56 | 120.7° | 120.0° |
| C26 | C25 | C31 | 117.5° | 119.9° |
| C26 | C25 | N24 | 122.4° | 120.1° |
| C25 | C26 | H54 | 119.8° | 120.1° |
| C25 | C31 | F32 | 119.0° | 120.0° |
| C31 | C25 | N24 | 120.1° | 120.1° |
| O6 | S4 | C7 | 109.6° | 106.4° |
| O6 | S4 | N2 | 106.4° | 106.4° |
| O6 | S4 | O5 | 119.7° | 123.2° |
| C25 | N24 | C33 | 116.0° | 111.0° |
| C25 | N24 | C23 | 117.2° | 111.0° |
| C9 | C8 | C7 | 119.5° | 120.1° |
| C8 | C9 | C10 | 119.8° | 120.0° |
| C9 | C8 | H43 | 120.2° | 120.0° |
| C8 | C9 | H44 | 120.1° | 120.1° |
| C8 | C7 | S4 | 119.3° | 120.0° |
| C8 | C7 | C36 | 120.8° | 120.0° |
| C7 | C8 | H43 | 120.3° | 120.0° |
| C1 | N2 | S4 | 118.1° | 120.0° |
| C1 | N2 | C3 | 114.1° | 120.0° |
| N2 | C1 | H39 | 109.5° | 109.5° |
| N2 | C1 | H38 | 109.5° | 109.5° |
| N2 | C1 | H37 | 109.5° | 109.5° |
| C9 | C10 | S11 | 117.8° | 120.0° |
| C9 | C10 | C35 | 120.9° | 120.0° |
| C10 | C9 | H44 | 120.1° | 120.0° |
| N24 | C33 | C34 | 110.8° | 109.4° |
| C33 | N24 | C23 | 109.1° | 110.9° |
| N24 | C33 | H57 | 109.1° | 109.5° |
| N24 | C33 | H58 | 109.1° | 109.5° |
| C33 | C34 | N21 | 111.8° | 109.4° |
| C34 | C33 | H57 | 109.1° | 109.5° |
| C34 | C33 | H58 | 109.1° | 109.4° |
| C33 | C34 | H59 | 108.9° | 109.5° |
| C33 | C34 | H60 | 108.9° | 109.5° |
| N24 | C23 | C22 | 111.2° | 109.4° |
| N24 | C23 | H53 | 109.0° | 109.5° |
| N24 | C23 | H52 | 109.0° | 109.5° |
| O13 | S11 | C10 | 109.6° | 106.4° |
| O13 | S11 | O12 | 118.4° | 123.2° |
| O13 | S11 | N14 | 108.0° | 106.4° |
| C7 | S4 | N2 | 103.9° | 107.3° |
| C7 | S4 | O5 | 108.5° | 106.4° |
| S4 | C7 | C36 | 120.0° | 120.0° |
| N2 | S4 | O5 | 107.5° | 106.4° |
| S4 | N2 | C3 | 117.7° | 120.0° |
| C23 | C22 | N21 | 112.3° | 109.4° |
| C23 | C22 | H50 | 108.7° | 109.5° |
| C23 | C22 | H51 | 108.7° | 109.5° |
| C22 | C23 | H53 | 109.0° | 109.5° |
| C22 | C23 | H52 | 109.0° | 109.5° |
| C7 | C36 | C35 | 119.8° | 120.0° |
| C7 | C36 | H62 | 120.1° | 120.0° |
| N2 | C3 | H41 | 109.5° | 109.4° |
| N2 | C3 | H40 | 109.5° | 109.4° |
| N2 | C3 | H42 | 109.5° | 109.5° |
| S11 | C10 | C35 | 121.3° | 120.0° |
| C10 | S11 | O12 | 105.9° | 106.4° |
| C10 | S11 | N14 | 111.6° | 107.2° |
| C10 | C35 | C36 | 119.3° | 120.0° |
| C10 | C35 | H61 | 120.4° | 120.0° |
| C34 | N21 | C22 | 109.1° | 110.9° |
| C34 | N21 | C20 | 114.5° | 111.0° |
| N21 | C34 | H59 | 108.9° | 109.5° |
| N21 | C34 | H60 | 108.9° | 109.5° |
| O12 | S11 | N14 | 103.3° | 106.4° |
| S11 | N14 | C15 | 130.8° | 120.0° |
| S11 | N14 | H45 | 103.9° | 120.0° |
| C36 | C35 | H61 | 120.4° | 120.0° |
| C35 | C36 | H62 | 120.1° | 120.0° |
| C22 | N21 | C20 | 113.8° | 111.0° |
| N21 | C22 | H50 | 108.7° | 109.5° |
| N21 | C22 | H51 | 108.7° | 109.5° |
| N21 | C20 | C15 | 123.1° | 120.1° |
| N21 | C20 | C19 | 118.4° | 120.1° |
| N14 | C15 | C20 | 124.4° | 120.1° |
| N14 | C15 | C16 | 116.9° | 120.1° |
| C15 | N14 | H45 | 103.9° | 120.0° |
| C15 | C20 | C19 | 118.5° | 119.8° |
| C20 | C15 | C16 | 118.8° | 119.8° |
| C20 | C19 | C18 | 121.6° | 120.0° |
| C20 | C19 | H49 | 119.2° | 120.0° |
| C15 | C16 | C17 | 121.7° | 120.0° |
| C15 | C16 | H46 | 119.2° | 120.0° |
| C19 | C18 | C17 | 120.0° | 120.2° |
| C18 | C19 | H49 | 119.2° | 120.0° |
| C19 | C18 | H48 | 120.0° | 119.9° |
| C16 | C17 | C18 | 119.5° | 120.2° |
| C17 | C16 | H46 | 119.1° | 120.0° |
| C16 | C17 | H47 | 120.2° | 119.9° |
| C18 | C17 | H47 | 120.3° | 119.9° |
| C17 | C18 | H48 | 120.0° | 119.9° |
| H39 | C1 | H38 | 109.5° | 109.5° |
| H39 | C1 | H37 | 109.4° | 109.5° |
| H38 | C1 | H37 | 109.5° | 109.5° |
| H41 | C3 | H40 | 109.5° | 109.5° |
| H41 | C3 | H42 | 109.5° | 109.5° |
| H40 | C3 | H42 | 109.5° | 109.5° |
| H50 | C22 | H51 | 109.5° | 109.5° |
| H53 | C23 | H52 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.4° | 109.6° |
| H59 | C34 | H60 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL29 | C28 | C27 | C30 | 179.9° | 180.0° |
| CL29 | C28 | C27 | C26 | 180.0° | 180.0° |
| CL29 | C28 | C30 | C31 | 179.9° | 179.8° |
| CL29 | C28 | C27 | H55 | 0.1° | 0.1° |
| CL29 | C28 | C30 | H56 | 0.1° | 0.0° |
| C28 | C27 | C26 | H55 | 180.0° | 179.9° |
| C27 | C28 | C30 | C31 | 0.0° | 0.3° |
| C28 | C27 | C26 | C25 | 0.2° | 0.1° |
| C28 | C27 | C26 | H54 | 179.8° | 180.0° |
| C27 | C28 | C30 | H56 | 180.0° | 179.9° |
| C30 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C30 | C31 | H56 | 180.0° | 179.8° |
| C28 | C30 | C31 | C25 | 0.1° | 0.5° |
| C28 | C30 | C31 | F32 | 179.9° | 179.7° |
| C30 | C28 | C27 | H55 | 179.9° | 180.0° |
| C27 | C26 | C25 | H54 | 180.0° | 179.9° |
| C27 | C26 | C25 | C31 | 0.1° | 0.3° |
| C27 | C26 | C25 | N24 | 180.0° | 180.0° |
| C30 | C31 | C25 | C26 | 0.0° | 0.5° |
| C30 | C31 | C25 | F32 | 179.8° | 179.8° |
| C30 | C31 | C25 | N24 | 179.9° | 179.8° |
| C26 | C25 | C31 | N24 | 179.9° | 179.7° |
| C26 | C25 | C31 | F32 | 179.9° | 179.7° |
| C26 | C25 | N24 | C33 | 108.7° | 60.0° |
| C26 | C25 | N24 | C23 | 22.6° | 63.8° |
| C25 | C26 | C27 | H55 | 179.8° | 180.0° |
| C31 | C25 | N24 | C33 | 71.2° | 120.2° |
| C31 | C25 | N24 | C23 | 157.5° | 115.9° |
| C31 | C25 | C26 | H54 | 179.9° | 179.8° |
| C25 | C31 | C30 | H56 | 179.9° | 179.7° |
| F32 | C31 | C25 | N24 | 0.0° | 0.0° |
| F32 | C31 | C30 | H56 | 0.1° | 0.1° |
| O6 | S4 | C7 | C8 | 26.5° | 156.8° |
| O6 | S4 | N2 | C1 | 38.0° | 156.5° |
| O6 | S4 | C7 | N2 | 113.4° | 113.6° |
| O6 | S4 | C7 | O5 | 132.4° | 132.9° |
| O6 | S4 | N2 | O5 | 129.4° | 132.9° |
| O6 | S4 | C7 | C36 | 154.2° | 23.6° |
| O6 | S4 | N2 | C3 | 178.7° | 23.6° |
| C25 | N24 | C33 | C23 | 135.0° | 123.9° |
| C25 | N24 | C33 | C34 | 167.0° | 176.8° |
| C25 | N24 | C23 | C22 | 168.5° | 176.8° |
| C25 | N24 | C23 | H53 | 48.3° | 63.2° |
| C25 | N24 | C23 | H52 | 71.2° | 56.9° |
| N24 | C25 | C26 | H54 | 0.0° | 0.1° |
| C25 | N24 | C33 | H57 | 72.8° | 56.9° |
| C25 | N24 | C33 | H58 | 46.7° | 63.3° |
| C9 | C8 | C7 | H43 | 180.0° | 179.9° |
| C8 | C9 | C10 | H44 | 180.0° | 179.9° |
| C9 | C8 | C7 | S4 | 179.6° | 179.7° |
| C9 | C8 | C7 | C36 | 0.2° | 0.1° |
| C8 | C9 | C10 | S11 | 180.0° | 180.0° |
| C8 | C9 | C10 | C35 | 0.1° | 0.1° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C7 | S4 | C36 | 179.4° | 179.7° |
| C8 | C7 | S4 | N2 | 86.9° | 89.7° |
| C8 | C7 | S4 | O5 | 158.9° | 23.9° |
| C8 | C7 | C36 | C35 | 0.3° | 0.0° |
| C8 | C7 | C36 | H62 | 179.7° | 179.9° |
| C7 | C8 | C9 | H44 | 179.8° | 180.0° |
| C1 | N2 | S4 | C7 | 77.6° | 90.0° |
| C1 | N2 | S4 | C3 | 143.3° | 180.0° |
| C1 | N2 | S4 | O5 | 167.4° | 23.5° |
| N2 | C1 | H39 | H38 | 120.0° | 120.0° |
| N2 | C1 | H39 | H37 | 120.0° | 120.0° |
| N2 | C1 | H38 | H37 | 120.0° | 120.0° |
| C1 | N2 | C3 | H41 | 180.0° | 90.1° |
| C1 | N2 | C3 | H40 | 60.0° | 150.0° |
| C1 | N2 | C3 | H42 | 60.0° | 30.0° |
| C9 | C10 | S11 | O13 | 14.8° | 156.6° |
| C9 | C10 | S11 | C35 | 179.9° | 179.9° |
| C9 | C10 | S11 | O12 | 143.6° | 23.6° |
| C9 | C10 | S11 | N14 | 104.8° | 89.9° |
| C9 | C10 | C35 | C36 | 0.2° | 0.1° |
| C10 | C9 | C8 | H43 | 179.9° | 180.0° |
| C9 | C10 | C35 | H61 | 179.8° | 179.9° |
| N24 | C33 | C34 | H57 | 120.2° | 119.9° |
| N24 | C33 | C34 | H58 | 120.2° | 119.9° |
| C33 | N24 | C23 | C22 | 57.0° | 59.3° |
| N24 | C33 | C34 | N21 | 58.7° | 58.4° |
| C33 | N24 | C23 | H53 | 177.3° | 60.7° |
| C33 | N24 | C23 | H52 | 63.2° | 179.3° |
| N24 | C33 | H57 | H58 | 119.4° | 120.1° |
| N24 | C33 | C34 | H59 | 179.1° | 178.3° |
| N24 | C33 | C34 | H60 | 61.6° | 61.6° |
| C34 | C33 | N24 | C23 | 58.0° | 59.3° |
| C33 | C34 | N21 | H59 | 120.3° | 120.0° |
| C33 | C34 | N21 | H60 | 120.3° | 120.0° |
| C33 | C34 | N21 | C22 | 55.6° | 59.3° |
| C33 | C34 | N21 | C20 | 175.6° | 176.8° |
| C34 | C33 | H57 | H58 | 119.4° | 120.1° |
| C33 | C34 | H59 | H60 | 118.9° | 120.1° |
| N24 | C23 | C22 | H53 | 120.2° | 120.0° |
| N24 | C23 | C22 | H52 | 120.3° | 120.0° |
| N24 | C23 | C22 | N21 | 56.7° | 58.4° |
| N24 | C23 | C22 | H50 | 63.7° | 61.5° |
| N24 | C23 | C22 | H51 | 177.1° | 178.4° |
| N24 | C23 | H53 | H52 | 119.2° | 120.1° |
| C23 | N24 | C33 | H57 | 62.2° | 179.2° |
| C23 | N24 | C33 | H58 | 178.3° | 60.6° |
| O13 | S11 | C10 | O12 | 128.8° | 133.0° |
| O13 | S11 | C10 | N14 | 119.6° | 113.5° |
| O13 | S11 | C10 | C35 | 165.1° | 23.5° |
| O13 | S11 | O12 | N14 | 119.2° | 122.9° |
| O13 | S11 | N14 | C15 | 142.0° | 174.0° |
| O13 | S11 | N14 | H45 | 19.3° | 6.1° |
| C7 | S4 | N2 | O5 | 114.9° | 113.5° |
| C7 | S4 | N2 | C3 | 65.7° | 90.0° |
| S4 | C7 | C36 | C35 | 179.6° | 179.7° |
| S4 | C7 | C8 | H43 | 0.4° | 0.4° |
| S4 | C7 | C36 | H62 | 0.4° | 0.3° |
| N2 | S4 | C7 | C36 | 92.4° | 90.0° |
| S4 | N2 | C1 | H39 | 180.0° | 180.0° |
| S4 | N2 | C1 | H38 | 60.0° | 60.0° |
| S4 | N2 | C1 | H37 | 60.0° | 60.0° |
| S4 | N2 | C3 | H41 | 35.3° | 90.0° |
| S4 | N2 | C3 | H40 | 155.3° | 30.0° |
| S4 | N2 | C3 | H42 | 84.8° | 150.0° |
| O5 | S4 | C7 | C36 | 21.8° | 156.5° |
| O5 | S4 | N2 | C3 | 49.2° | 156.5° |
| C23 | C22 | N21 | C34 | 54.7° | 59.3° |
| C23 | C22 | N21 | H50 | 120.4° | 120.0° |
| C23 | C22 | N21 | H51 | 120.4° | 120.0° |
| C23 | C22 | N21 | C20 | 176.1° | 176.8° |
| C23 | C22 | H50 | H51 | 118.7° | 120.0° |
| C22 | C23 | H53 | H52 | 119.2° | 120.0° |
| C7 | C36 | C35 | C10 | 0.3° | 0.0° |
| C7 | C36 | C35 | H62 | 180.0° | 180.0° |
| C36 | C7 | C8 | H43 | 179.8° | 180.0° |
| C7 | C36 | C35 | H61 | 179.7° | 179.9° |
| C3 | N2 | C1 | H39 | 35.4° | 0.0° |
| C3 | N2 | C1 | H38 | 155.4° | 120.0° |
| C3 | N2 | C1 | H37 | 84.6° | 120.0° |
| N2 | C3 | H41 | H40 | 120.0° | 119.9° |
| N2 | C3 | H41 | H42 | 120.0° | 120.0° |
| N2 | C3 | H40 | H42 | 120.0° | 120.0° |
| C10 | S11 | O12 | N14 | 117.4° | 114.1° |
| S11 | C10 | C35 | C36 | 179.9° | 180.0° |
| C10 | S11 | N14 | C15 | 21.5° | 60.4° |
| S11 | C10 | C35 | H61 | 0.1° | 0.0° |
| S11 | C10 | C9 | H44 | 0.0° | 0.1° |
| C10 | S11 | N14 | H45 | 101.2° | 119.6° |
| C35 | C10 | S11 | O12 | 36.3° | 156.5° |
| C35 | C10 | S11 | N14 | 75.4° | 90.0° |
| C10 | C35 | C36 | H61 | 180.0° | 180.0° |
| C10 | C35 | C36 | H62 | 179.7° | 179.9° |
| C35 | C10 | C9 | H44 | 179.8° | 180.0° |
| C34 | N21 | C22 | C20 | 129.2° | 123.8° |
| C34 | N21 | C20 | C15 | 121.4° | 120.0° |
| C34 | N21 | C20 | C19 | 58.3° | 60.0° |
| C34 | N21 | C22 | H50 | 65.7° | 60.7° |
| C34 | N21 | C22 | H51 | 175.1° | 179.3° |
| N21 | C34 | C33 | H57 | 61.5° | 178.3° |
| N21 | C34 | C33 | H58 | 178.9° | 61.5° |
| N21 | C34 | H59 | H60 | 118.9° | 120.0° |
| O12 | S11 | N14 | C15 | 91.8° | 53.1° |
| O12 | S11 | N14 | H45 | 145.5° | 126.8° |
| S11 | N14 | C15 | H45 | 122.7° | 179.9° |
| S11 | N14 | C15 | C20 | 92.2° | 144.7° |
| S11 | N14 | C15 | C16 | 88.9° | 35.5° |
| C22 | N21 | C20 | C15 | 112.2° | 116.3° |
| C22 | N21 | C20 | C19 | 68.1° | 63.8° |
| N21 | C22 | H50 | H51 | 118.7° | 120.0° |
| N21 | C22 | C23 | H53 | 177.0° | 61.6° |
| N21 | C22 | C23 | H52 | 63.5° | 178.4° |
| C22 | N21 | C34 | H59 | 175.9° | 179.3° |
| C22 | N21 | C34 | H60 | 64.8° | 60.7° |
| N21 | C20 | C15 | N14 | 0.9° | 0.2° |
| N21 | C20 | C15 | C19 | 179.7° | 179.9° |
| N21 | C20 | C15 | C16 | 179.7° | 180.0° |
| N21 | C20 | C19 | C18 | 179.9° | 180.0° |
| N21 | C20 | C19 | H49 | 0.0° | 0.1° |
| C20 | N21 | C22 | H50 | 63.5° | 63.2° |
| C20 | N21 | C22 | H51 | 55.7° | 56.9° |
| C20 | N21 | C34 | H59 | 55.3° | 56.9° |
| C20 | N21 | C34 | H60 | 64.0° | 63.2° |
| N14 | C15 | C20 | C16 | 178.8° | 179.8° |
| N14 | C15 | C20 | C19 | 179.4° | 179.7° |
| N14 | C15 | C16 | C17 | 179.5° | 179.7° |
| N14 | C15 | C16 | H46 | 0.5° | 0.3° |
| C15 | C20 | C19 | C18 | 0.3° | 0.1° |
| C20 | C15 | C16 | C17 | 0.5° | 0.0° |
| C20 | C15 | C16 | H46 | 179.4° | 179.9° |
| C15 | C20 | C19 | H49 | 179.7° | 179.9° |
| C20 | C15 | N14 | H45 | 30.5° | 35.3° |
| C19 | C20 | C15 | C16 | 0.5° | 0.1° |
| C20 | C19 | C18 | H49 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C20 | C19 | C18 | H48 | 179.9° | 180.0° |
| C15 | C16 | C17 | H46 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H47 | 179.7° | 180.0° |
| C16 | C15 | N14 | H45 | 148.3° | 144.5° |
| C19 | C18 | C17 | C16 | 0.1° | 0.1° |
| C19 | C18 | C17 | H48 | 180.0° | 179.9° |
| C19 | C18 | C17 | H47 | 180.0° | 179.9° |
| C16 | C17 | C18 | H47 | 180.0° | 180.0° |
| C16 | C17 | C18 | H48 | 180.0° | 180.0° |
| C18 | C17 | C16 | H46 | 179.7° | 179.9° |
| C17 | C18 | C19 | H49 | 180.0° | 180.0° |
| H39 | C1 | H38 | H37 | 120.0° | 120.0° |
| H41 | C3 | H40 | H42 | 120.0° | 120.1° |
| H43 | C8 | C9 | H44 | 0.2° | 0.0° |
| H46 | C16 | C17 | H47 | 0.3° | 0.1° |
| H49 | C19 | C18 | H48 | 0.0° | 0.2° |
| H50 | C22 | C23 | H53 | 56.6° | 178.5° |
| H50 | C22 | C23 | H52 | 176.1° | 58.4° |
| H51 | C22 | C23 | H53 | 62.6° | 58.4° |
| H51 | C22 | C23 | H52 | 56.9° | 61.6° |
| H54 | C26 | C27 | H55 | 0.2° | 0.1° |
| H61 | C35 | C36 | H62 | 0.3° | 0.1° |
| H47 | C17 | C18 | H48 | 0.0° | 0.1° |
| H57 | C33 | C34 | H59 | 58.9° | 61.7° |
| H57 | C33 | C34 | H60 | 178.2° | 58.4° |
| H58 | C33 | C34 | H59 | 60.7° | 58.4° |
| H58 | C33 | C34 | H60 | 58.6° | 178.5° |
