RR6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C60 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C60 | C54 | sing | 1.40Å | 1.37Å | Aromatic |
| C60 | O79 | sing | 1.36Å | 1.37Å | |
| C61 | C62 | sing | 1.38Å | 1.40Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.10Å | |
| C62 | C63 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C63 | C64 | sing | 1.38Å | 1.38Å | Aromatic |
| C63 | S81 | sing | 1.76Å | 1.90Å | |
| C64 | C54 | doub | 1.40Å | 1.38Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C54 | N52 | sing | 1.37Å | 1.47Å | |
| O79 | H79 | sing | 0.97Å | 0.95Å | |
| O82 | S81 | doub | 1.42Å | 1.43Å | |
| O83 | S81 | sing | 1.52Å | 1.42Å | |
| O83 | H83 | sing | 0.97Å | 0.95Å | |
| O84 | S81 | doub | 1.42Å | 1.43Å | |
| C55 | C53 | doub | 1.39Å | 1.38Å | Aromatic |
| C55 | C56 | sing | 1.41Å | 1.38Å | Aromatic |
| C55 | O78 | sing | 1.36Å | 1.36Å | |
| C53 | C59 | sing | 1.41Å | 1.39Å | Aromatic |
| C53 | N51 | sing | 1.36Å | 1.45Å | |
| C59 | C58 | doub | 1.36Å | 1.38Å | Aromatic |
| C59 | S85 | sing | 1.76Å | 1.92Å | |
| C58 | C57 | sing | 1.41Å | 1.39Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.10Å | |
| C57 | C56 | doub | 1.42Å | 1.39Å | Aromatic |
| C57 | C68 | sing | 1.40Å | 1.38Å | Aromatic |
| C56 | C65 | sing | 1.41Å | 1.39Å | Aromatic |
| C65 | C66 | doub | 1.36Å | 1.39Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.10Å | |
| C66 | C67 | sing | 1.40Å | 1.39Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.10Å | |
| C67 | C68 | doub | 1.38Å | 1.38Å | Aromatic |
| C67 | N26 | sing | 1.40Å | 1.37Å | |
| C68 | S86 | sing | 1.76Å | 1.90Å | |
| O78 | H78 | sing | 0.97Å | 0.95Å | |
| O87 | S86 | doub | 1.42Å | 1.43Å | |
| O88 | S86 | doub | 1.42Å | 1.44Å | |
| O91 | S86 | sing | 1.52Å | 1.42Å | |
| O91 | H91 | sing | 0.97Å | 0.95Å | |
| O89 | S85 | doub | 1.42Å | 1.43Å | |
| O90 | S85 | sing | 1.52Å | 1.43Å | |
| O90 | H90 | sing | 0.97Å | 0.95Å | |
| O92 | S85 | doub | 1.42Å | 1.43Å | |
| N51 | N52 | doub | 1.29Å | 1.22Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | O29 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | S31 | sing | 1.76Å | 1.91Å | |
| C14 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C4 | N1 | sing | 1.37Å | 1.48Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| O32 | S31 | doub | 1.42Å | 1.43Å | |
| O33 | S31 | doub | 1.42Å | 1.43Å | |
| O34 | S31 | sing | 1.52Å | 1.43Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| C5 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.38Å | Aromatic |
| C5 | O28 | sing | 1.36Å | 1.36Å | |
| C3 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | N2 | sing | 1.36Å | 1.49Å | |
| C9 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C9 | S35 | sing | 1.76Å | 1.91Å | |
| C8 | C7 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C6 | doub | 1.42Å | 1.39Å | Aromatic |
| C7 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C15 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | N19 | sing | 1.40Å | 1.38Å | |
| C18 | S36 | sing | 1.76Å | 1.90Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| O37 | S36 | sing | 1.52Å | 1.43Å | |
| O37 | H37 | sing | 0.97Å | 0.95Å | |
| O38 | S36 | doub | 1.42Å | 1.43Å | |
| O41 | S36 | doub | 1.42Å | 1.43Å | |
| O39 | S35 | sing | 1.52Å | 1.43Å | |
| O39 | H39 | sing | 0.97Å | 0.95Å | |
| O40 | S35 | doub | 1.42Å | 1.43Å | |
| O42 | S35 | doub | 1.42Å | 1.43Å | |
| N1 | N2 | doub | 1.29Å | 1.23Å | |
| N19 | C20 | sing | 1.38Å | 1.44Å | |
| N19 | H19 | sing | 0.97Å | 1.02Å | |
| N26 | C22 | sing | 1.38Å | 1.43Å | |
| N26 | H26 | sing | 0.97Å | 1.02Å | |
| C20 | N21 | doub | 1.33Å | 1.43Å | Aromatic |
| C20 | N25 | sing | 1.33Å | 1.43Å | Aromatic |
| N21 | C22 | sing | 1.33Å | 1.41Å | Aromatic |
| C22 | N23 | doub | 1.33Å | 1.44Å | Aromatic |
| N23 | C24 | sing | 1.32Å | 1.45Å | Aromatic |
| C24 | N25 | doub | 1.32Å | 1.44Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C61 | C60 | C54 | 120.6° | 119.8° |
| C61 | C60 | O79 | 121.0° | 120.1° |
| C60 | C61 | C62 | 119.1° | 120.1° |
| C60 | C61 | H61 | 119.9° | 120.0° |
| C54 | C60 | O79 | 118.4° | 120.1° |
| C60 | C54 | C64 | 120.1° | 119.6° |
| C60 | C54 | N52 | 120.9° | 120.2° |
| C60 | O79 | H79 | 120.9° | 106.8° |
| C62 | C61 | H61 | 121.0° | 119.9° |
| C61 | C62 | C63 | 119.9° | 120.4° |
| C61 | C62 | H62 | 120.4° | 119.8° |
| C63 | C62 | H62 | 119.7° | 119.8° |
| C62 | C63 | C64 | 119.3° | 120.3° |
| C62 | C63 | S81 | 120.7° | 119.9° |
| C64 | C63 | S81 | 119.8° | 119.8° |
| C63 | C64 | C54 | 121.0° | 119.9° |
| C63 | C64 | H64 | 119.6° | 120.1° |
| C63 | S81 | O82 | 109.8° | 105.8° |
| C63 | S81 | O83 | 109.8° | 107.4° |
| C63 | S81 | O84 | 109.1° | 105.8° |
| C54 | C64 | H64 | 119.5° | 120.1° |
| C64 | C54 | N52 | 118.4° | 120.2° |
| C54 | N52 | N51 | 123.9° | 120.0° |
| O82 | S81 | O83 | 109.7° | 105.8° |
| O82 | S81 | O84 | 108.8° | 125.3° |
| S81 | O83 | H83 | 109.8° | 106.8° |
| O83 | S81 | O84 | 109.7° | 105.8° |
| C53 | C55 | C56 | 120.4° | 119.4° |
| C53 | C55 | O78 | 119.7° | 120.4° |
| C55 | C53 | C59 | 120.5° | 120.4° |
| C55 | C53 | N51 | 120.6° | 119.8° |
| C56 | C55 | O78 | 120.0° | 120.3° |
| C55 | C56 | C57 | 119.6° | 119.4° |
| C55 | C56 | C65 | 120.0° | 121.0° |
| C55 | O78 | H78 | 119.7° | 106.8° |
| C59 | C53 | N51 | 119.0° | 119.8° |
| C53 | C59 | C58 | 119.1° | 120.9° |
| C53 | C59 | S85 | 120.3° | 119.6° |
| C53 | N51 | N52 | 131.0° | 120.0° |
| C58 | C59 | S85 | 120.0° | 119.6° |
| C59 | C58 | C57 | 120.4° | 120.2° |
| C59 | C58 | H58 | 119.6° | 119.9° |
| C59 | S85 | O89 | 109.4° | 105.8° |
| C59 | S85 | O90 | 109.6° | 107.4° |
| C59 | S85 | O92 | 109.8° | 105.8° |
| C57 | C58 | H58 | 120.0° | 119.9° |
| C58 | C57 | C56 | 120.1° | 119.8° |
| C58 | C57 | C68 | 119.6° | 120.9° |
| C56 | C57 | C68 | 119.9° | 119.3° |
| C57 | C56 | C65 | 120.0° | 119.6° |
| C57 | C68 | C67 | 120.2° | 119.6° |
| C57 | C68 | S86 | 119.3° | 120.2° |
| C56 | C65 | C66 | 120.0° | 119.9° |
| C56 | C65 | H65 | 119.9° | 120.0° |
| C66 | C65 | H65 | 120.1° | 120.1° |
| C65 | C66 | C67 | 119.5° | 120.9° |
| C65 | C66 | H66 | 120.5° | 119.6° |
| C67 | C66 | H66 | 120.0° | 119.6° |
| C66 | C67 | C68 | 120.4° | 120.6° |
| C66 | C67 | N26 | 122.8° | 119.7° |
| C68 | C67 | N26 | 116.7° | 119.7° |
| C67 | C68 | S86 | 120.1° | 120.2° |
| C67 | N26 | C22 | 137.1° | 120.0° |
| C67 | N26 | H26 | 102.8° | 119.9° |
| C68 | S86 | O87 | 109.9° | 105.8° |
| C68 | S86 | O88 | 109.7° | 105.8° |
| C68 | S86 | O91 | 108.6° | 107.4° |
| O87 | S86 | O88 | 109.4° | 125.4° |
| O87 | S86 | O91 | 109.4° | 105.8° |
| O88 | S86 | O91 | 109.9° | 105.7° |
| S86 | O91 | H91 | 108.6° | 106.8° |
| O89 | S85 | O90 | 109.1° | 105.7° |
| O89 | S85 | O92 | 109.4° | 125.3° |
| S85 | O90 | H90 | 109.6° | 106.8° |
| O90 | S85 | O92 | 109.4° | 105.7° |
| C11 | C10 | C4 | 120.5° | 119.7° |
| C11 | C10 | O29 | 117.9° | 120.1° |
| C10 | C11 | C12 | 119.7° | 120.1° |
| C10 | C11 | H11 | 120.1° | 119.9° |
| C4 | C10 | O29 | 121.6° | 120.2° |
| C10 | C4 | C14 | 119.2° | 119.6° |
| C10 | C4 | N1 | 122.0° | 120.2° |
| C10 | O29 | H29 | 117.9° | 106.8° |
| C12 | C11 | H11 | 120.2° | 119.9° |
| C11 | C12 | C13 | 120.7° | 120.4° |
| C11 | C12 | H12 | 119.4° | 119.8° |
| C13 | C12 | H12 | 119.9° | 119.8° |
| C12 | C13 | C14 | 119.4° | 120.3° |
| C12 | C13 | S31 | 120.1° | 119.8° |
| C14 | C13 | S31 | 120.5° | 119.9° |
| C13 | C14 | C4 | 120.4° | 119.9° |
| C13 | C14 | H14 | 119.8° | 120.1° |
| C13 | S31 | O32 | 109.2° | 105.8° |
| C13 | S31 | O33 | 109.3° | 105.8° |
| C13 | S31 | O34 | 109.6° | 107.4° |
| C4 | C14 | H14 | 119.8° | 120.0° |
| C14 | C4 | N1 | 118.7° | 120.2° |
| C4 | N1 | N2 | 126.0° | 120.0° |
| O32 | S31 | O33 | 109.7° | 125.3° |
| O32 | S31 | O34 | 109.4° | 105.8° |
| O33 | S31 | O34 | 109.7° | 105.7° |
| S31 | O34 | H34 | 109.6° | 106.9° |
| C3 | C5 | C6 | 119.8° | 119.3° |
| C3 | C5 | O28 | 119.8° | 120.3° |
| C5 | C3 | C9 | 120.0° | 120.3° |
| C5 | C3 | N2 | 120.5° | 119.8° |
| C6 | C5 | O28 | 119.7° | 120.3° |
| C5 | C6 | C7 | 120.0° | 119.4° |
| C5 | C6 | C15 | 119.7° | 121.0° |
| C5 | O28 | H28 | 119.9° | 106.8° |
| C9 | C3 | N2 | 119.5° | 119.9° |
| C3 | C9 | C8 | 119.6° | 120.9° |
| C3 | C9 | S35 | 120.6° | 119.6° |
| C3 | N2 | N1 | 128.1° | 120.0° |
| C8 | C9 | S35 | 119.8° | 119.5° |
| C9 | C8 | C7 | 120.4° | 120.2° |
| C9 | C8 | H8 | 119.7° | 119.9° |
| C9 | S35 | O39 | 109.4° | 107.4° |
| C9 | S35 | O40 | 109.4° | 105.8° |
| C9 | S35 | O42 | 109.3° | 105.8° |
| C7 | C8 | H8 | 119.9° | 119.9° |
| C8 | C7 | C6 | 120.1° | 119.8° |
| C8 | C7 | C18 | 119.4° | 120.9° |
| C6 | C7 | C18 | 120.1° | 119.4° |
| C7 | C6 | C15 | 119.8° | 119.6° |
| C7 | C18 | C17 | 120.0° | 119.6° |
| C7 | C18 | S36 | 119.2° | 120.2° |
| C6 | C15 | C16 | 120.0° | 119.9° |
| C6 | C15 | H15 | 120.1° | 120.0° |
| C16 | C15 | H15 | 119.8° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.9° |
| C15 | C16 | H16 | 120.1° | 119.6° |
| C17 | C16 | H16 | 120.1° | 119.6° |
| C16 | C17 | C18 | 120.2° | 120.6° |
| C16 | C17 | N19 | 120.1° | 119.7° |
| C18 | C17 | N19 | 119.4° | 119.7° |
| C17 | C18 | S36 | 120.7° | 120.2° |
| C17 | N19 | C20 | 125.2° | 120.0° |
| C17 | N19 | H19 | 106.7° | 120.1° |
| C18 | S36 | O37 | 108.8° | 107.4° |
| C18 | S36 | O38 | 109.9° | 105.8° |
| C18 | S36 | O41 | 109.3° | 105.8° |
| S36 | O37 | H37 | 108.8° | 106.8° |
| O37 | S36 | O38 | 109.8° | 105.7° |
| O37 | S36 | O41 | 109.5° | 105.7° |
| O38 | S36 | O41 | 109.4° | 125.4° |
| S35 | O39 | H39 | 109.4° | 106.8° |
| O39 | S35 | O40 | 109.7° | 105.7° |
| O39 | S35 | O42 | 109.4° | 105.8° |
| O40 | S35 | O42 | 109.6° | 125.4° |
| C20 | N19 | H19 | 106.6° | 119.9° |
| N19 | C20 | N21 | 117.4° | 120.0° |
| N19 | C20 | N25 | 122.2° | 120.1° |
| C22 | N26 | H26 | 102.8° | 120.1° |
| N26 | C22 | N21 | 118.2° | 120.1° |
| N26 | C22 | N23 | 122.1° | 120.0° |
| N21 | C20 | N25 | 120.3° | 119.9° |
| C20 | N21 | C22 | 120.7° | 119.8° |
| C20 | N25 | C24 | 119.9° | 120.1° |
| N21 | C22 | N23 | 119.6° | 119.9° |
| C22 | N23 | C24 | 120.5° | 120.1° |
| N23 | C24 | N25 | 118.9° | 120.2° |
| N23 | C24 | H24 | 121.0° | 119.9° |
| N25 | C24 | H24 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C61 | C60 | C54 | O79 | 179.6° | 179.5° |
| C60 | C61 | C62 | H61 | 180.0° | 179.7° |
| C60 | C61 | C62 | C63 | 0.2° | 0.3° |
| C60 | C61 | C62 | H62 | 179.8° | 179.7° |
| C61 | C60 | C54 | C64 | 0.7° | 0.6° |
| C61 | C60 | C54 | N52 | 170.1° | 179.8° |
| C61 | C60 | O79 | H79 | 180.0° | 90.0° |
| C54 | C60 | C61 | C62 | 0.2° | 0.6° |
| C54 | C60 | C61 | H61 | 179.8° | 179.7° |
| C60 | C54 | C64 | C63 | 0.9° | 0.3° |
| C60 | C54 | C64 | N52 | 171.1° | 179.7° |
| C60 | C54 | C64 | H64 | 179.1° | 179.8° |
| C54 | C60 | O79 | H79 | 0.4° | 90.5° |
| C60 | C54 | N52 | N51 | 175.6° | 179.6° |
| O79 | C60 | C61 | C62 | 179.5° | 179.9° |
| O79 | C60 | C61 | H61 | 0.6° | 0.2° |
| O79 | C60 | C54 | C64 | 178.9° | 179.9° |
| O79 | C60 | C54 | N52 | 10.2° | 0.3° |
| C61 | C62 | C63 | H62 | 180.0° | 179.9° |
| C61 | C62 | C63 | C64 | 0.0° | 0.1° |
| C61 | C62 | C63 | S81 | 174.8° | 179.9° |
| H61 | C61 | C62 | C63 | 179.9° | 179.9° |
| H61 | C61 | C62 | H62 | 0.2° | 0.0° |
| C62 | C63 | C64 | S81 | 174.8° | 180.0° |
| C62 | C63 | C64 | C54 | 0.6° | 0.1° |
| C62 | C63 | C64 | H64 | 179.4° | 180.0° |
| C62 | C63 | S81 | O82 | 85.5° | 22.6° |
| C62 | C63 | S81 | O83 | 35.3° | 90.0° |
| C62 | C63 | S81 | O84 | 155.4° | 157.4° |
| H62 | C62 | C63 | C64 | 180.0° | 180.0° |
| H62 | C62 | C63 | S81 | 5.2° | 0.0° |
| C63 | C64 | C54 | H64 | 180.0° | 179.9° |
| C63 | C64 | C54 | N52 | 170.2° | 180.0° |
| C64 | C63 | S81 | O82 | 89.3° | 157.4° |
| C64 | C63 | S81 | O83 | 150.0° | 90.0° |
| C64 | C63 | S81 | O84 | 29.8° | 22.6° |
| S81 | C63 | C64 | C54 | 174.3° | 179.9° |
| S81 | C63 | C64 | H64 | 5.7° | 0.0° |
| C63 | S81 | O82 | O83 | 120.8° | 113.7° |
| C63 | S81 | O82 | O84 | 119.3° | 123.2° |
| C63 | S81 | O83 | O84 | 119.8° | 112.6° |
| C63 | S81 | O83 | H83 | 180.0° | 180.0° |
| C64 | C54 | N52 | N51 | 13.4° | 0.0° |
| H64 | C64 | C54 | N52 | 9.8° | 0.1° |
| C54 | N52 | N51 | C53 | 164.4° | 180.0° |
| O82 | S81 | O83 | O84 | 119.4° | 134.8° |
| O82 | S81 | O83 | H83 | 59.2° | 67.4° |
| H83 | O83 | S81 | O84 | 60.2° | 67.4° |
| C53 | C55 | C56 | O78 | 179.2° | 180.0° |
| C55 | C53 | C59 | N51 | 179.5° | 180.0° |
| C55 | C53 | C59 | C58 | 1.0° | 0.0° |
| C55 | C53 | C59 | S85 | 170.2° | 180.0° |
| C53 | C55 | C56 | C57 | 0.4° | 0.1° |
| C53 | C55 | C56 | C65 | 172.8° | 180.0° |
| C53 | C55 | O78 | H78 | 180.0° | 90.0° |
| C55 | C53 | N51 | N52 | 2.6° | 0.1° |
| C56 | C55 | C53 | C59 | 0.9° | 0.0° |
| C56 | C55 | C53 | N51 | 178.6° | 179.9° |
| C55 | C56 | C57 | C58 | 0.0° | 0.1° |
| C55 | C56 | C57 | C65 | 173.1° | 179.9° |
| C55 | C56 | C57 | C68 | 172.9° | 179.7° |
| C55 | C56 | C65 | C66 | 172.7° | 179.9° |
| C55 | C56 | C65 | H65 | 7.4° | 0.1° |
| C56 | C55 | O78 | H78 | 0.8° | 90.0° |
| O78 | C55 | C53 | C59 | 178.3° | 180.0° |
| O78 | C55 | C53 | N51 | 2.2° | 0.1° |
| O78 | C55 | C56 | C57 | 178.8° | 179.9° |
| O78 | C55 | C56 | C65 | 8.0° | 0.0° |
| C53 | C59 | C58 | S85 | 171.3° | 180.0° |
| C53 | C59 | C58 | C57 | 0.6° | 0.0° |
| C53 | C59 | C58 | H58 | 179.4° | 180.0° |
| C53 | C59 | S85 | O89 | 177.4° | 157.4° |
| C53 | C59 | S85 | O90 | 57.8° | 90.0° |
| C53 | C59 | S85 | O92 | 62.5° | 22.6° |
| C59 | C53 | N51 | N52 | 176.9° | 179.9° |
| N51 | C53 | C59 | C58 | 178.5° | 180.0° |
| N51 | C53 | C59 | S85 | 10.3° | 0.0° |
| C59 | C58 | C57 | H58 | 180.0° | 180.0° |
| C59 | C58 | C57 | C56 | 0.1° | 0.0° |
| C59 | C58 | C57 | C68 | 173.1° | 179.7° |
| C58 | C59 | S85 | O89 | 11.4° | 22.6° |
| C58 | C59 | S85 | O90 | 131.1° | 90.0° |
| C58 | C59 | S85 | O92 | 108.6° | 157.4° |
| S85 | C59 | C58 | C57 | 170.6° | 180.0° |
| S85 | C59 | C58 | H58 | 9.3° | 0.0° |
| C59 | S85 | O89 | O90 | 120.0° | 113.7° |
| C59 | S85 | O89 | O92 | 120.3° | 123.2° |
| C59 | S85 | O90 | O92 | 120.5° | 112.6° |
| C59 | S85 | O90 | H90 | 180.0° | 180.0° |
| C58 | C57 | C56 | C68 | 172.9° | 179.8° |
| C58 | C57 | C56 | C65 | 173.2° | 180.0° |
| C58 | C57 | C68 | C67 | 172.6° | 179.8° |
| C58 | C57 | C68 | S86 | 14.6° | 0.0° |
| H58 | C58 | C57 | C56 | 179.9° | 180.0° |
| H58 | C58 | C57 | C68 | 7.0° | 0.3° |
| C57 | C56 | C65 | C66 | 0.5° | 0.0° |
| C57 | C56 | C65 | H65 | 179.5° | 180.0° |
| C56 | C57 | C68 | C67 | 0.4° | 0.5° |
| C56 | C57 | C68 | S86 | 172.4° | 179.7° |
| C68 | C57 | C56 | C65 | 0.2° | 0.2° |
| C57 | C68 | C67 | C66 | 0.8° | 0.5° |
| C57 | C68 | C67 | S86 | 172.8° | 179.8° |
| C57 | C68 | C67 | N26 | 176.8° | 179.7° |
| C57 | C68 | S86 | O87 | 61.2° | 165.2° |
| C57 | C68 | S86 | O88 | 178.6° | 30.4° |
| C57 | C68 | S86 | O91 | 58.5° | 82.2° |
| C56 | C65 | C66 | H65 | 180.0° | 180.0° |
| C56 | C65 | C66 | C67 | 0.1° | 0.0° |
| C56 | C65 | C66 | H66 | 180.0° | 179.9° |
| C65 | C66 | C67 | H66 | 180.0° | 179.9° |
| C65 | C66 | C67 | C68 | 0.6° | 0.3° |
| C65 | C66 | C67 | N26 | 176.9° | 180.0° |
| H65 | C65 | C66 | C67 | 179.9° | 180.0° |
| H65 | C65 | C66 | H66 | 0.0° | 0.0° |
| C66 | C67 | C68 | N26 | 177.6° | 179.7° |
| C66 | C67 | C68 | S86 | 172.0° | 179.7° |
| C66 | C67 | N26 | C22 | 16.3° | 37.4° |
| C66 | C67 | N26 | H26 | 141.6° | 142.7° |
| H66 | C66 | C67 | C68 | 179.4° | 179.8° |
| H66 | C66 | C67 | N26 | 3.1° | 0.0° |
| C67 | C68 | S86 | O87 | 126.0° | 15.0° |
| C67 | C68 | S86 | O88 | 5.7° | 149.8° |
| C67 | C68 | S86 | O91 | 114.4° | 97.6° |
| C68 | C67 | N26 | C22 | 166.1° | 142.4° |
| C68 | C67 | N26 | H26 | 40.8° | 37.6° |
| N26 | C67 | C68 | S86 | 10.4° | 0.1° |
| C67 | N26 | C22 | H26 | 125.3° | 180.0° |
| C67 | N26 | C22 | N21 | 9.5° | 176.7° |
| C67 | N26 | C22 | N23 | 168.3° | 3.0° |
| C68 | S86 | O87 | O88 | 120.4° | 123.2° |
| C68 | S86 | O87 | O91 | 119.2° | 113.7° |
| C68 | S86 | O88 | O91 | 119.3° | 113.7° |
| C68 | S86 | O91 | H91 | 180.0° | 180.0° |
| O87 | S86 | O88 | O91 | 120.1° | 123.1° |
| O87 | S86 | O91 | H91 | 60.0° | 67.4° |
| O88 | S86 | O91 | H91 | 60.1° | 67.4° |
| O89 | S85 | O90 | O92 | 119.7° | 134.7° |
| O89 | S85 | O90 | H90 | 60.1° | 67.4° |
| H90 | O90 | S85 | O92 | 59.5° | 67.3° |
| C11 | C10 | C4 | O29 | 179.3° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C10 | C4 | C14 | 0.0° | 0.5° |
| C11 | C10 | C4 | N1 | 178.6° | 180.0° |
| C11 | C10 | O29 | H29 | 179.9° | 90.0° |
| C4 | C10 | C11 | C12 | 0.1° | 0.3° |
| C4 | C10 | C11 | H11 | 179.9° | 179.7° |
| C10 | C4 | C14 | C13 | 0.1° | 0.4° |
| C10 | C4 | C14 | N1 | 178.6° | 179.5° |
| C10 | C4 | C14 | H14 | 179.9° | 179.7° |
| C4 | C10 | O29 | H29 | 0.6° | 90.3° |
| C10 | C4 | N1 | N2 | 123.2° | 179.5° |
| O29 | C10 | C11 | C12 | 179.2° | 180.0° |
| O29 | C10 | C11 | H11 | 0.7° | 0.0° |
| O29 | C10 | C4 | C14 | 179.3° | 179.8° |
| O29 | C10 | C4 | N1 | 0.8° | 0.3° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C11 | C12 | C13 | S31 | 178.9° | 179.9° |
| H11 | C11 | C12 | C13 | 179.9° | 180.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| C12 | C13 | C14 | S31 | 178.8° | 180.0° |
| C12 | C13 | C14 | C4 | 0.2° | 0.2° |
| C12 | C13 | C14 | H14 | 179.9° | 179.9° |
| C12 | C13 | S31 | O32 | 44.3° | 22.6° |
| C12 | C13 | S31 | O33 | 75.7° | 157.4° |
| C12 | C13 | S31 | O34 | 164.1° | 90.0° |
| H12 | C12 | C13 | C14 | 180.0° | 179.9° |
| H12 | C12 | C13 | S31 | 1.2° | 0.1° |
| C13 | C14 | C4 | H14 | 180.0° | 179.9° |
| C13 | C14 | C4 | N1 | 178.5° | 180.0° |
| C14 | C13 | S31 | O32 | 136.9° | 157.4° |
| C14 | C13 | S31 | O33 | 103.1° | 22.6° |
| C14 | C13 | S31 | O34 | 17.0° | 90.0° |
| S31 | C13 | C14 | C4 | 179.0° | 179.8° |
| S31 | C13 | C14 | H14 | 1.0° | 0.1° |
| C13 | S31 | O32 | O33 | 119.7° | 123.1° |
| C13 | S31 | O32 | O34 | 119.9° | 113.8° |
| C13 | S31 | O33 | O34 | 120.1° | 113.8° |
| C13 | S31 | O34 | H34 | 179.9° | 180.0° |
| C14 | C4 | N1 | N2 | 58.2° | 0.0° |
| H14 | C14 | C4 | N1 | 1.5° | 0.1° |
| C4 | N1 | N2 | C3 | 170.7° | 180.0° |
| O32 | S31 | O33 | O34 | 120.2° | 123.1° |
| O32 | S31 | O34 | H34 | 60.3° | 67.3° |
| O33 | S31 | O34 | H34 | 60.1° | 67.4° |
| C3 | C5 | C6 | O28 | 171.2° | 180.0° |
| C5 | C3 | C9 | N2 | 179.0° | 179.8° |
| C5 | C3 | C9 | C8 | 0.5° | 0.6° |
| C5 | C3 | C9 | S35 | 179.8° | 180.0° |
| C3 | C5 | C6 | C7 | 0.4° | 0.0° |
| C3 | C5 | C6 | C15 | 172.5° | 180.0° |
| C3 | C5 | O28 | H28 | 180.0° | 90.0° |
| C5 | C3 | N2 | N1 | 53.3° | 0.1° |
| C6 | C5 | C3 | C9 | 0.2° | 0.2° |
| C6 | C5 | C3 | N2 | 178.8° | 180.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.1° |
| C5 | C6 | C7 | C15 | 172.9° | 180.0° |
| C5 | C6 | C7 | C18 | 173.3° | 180.0° |
| C5 | C6 | C15 | C16 | 173.2° | 180.0° |
| C5 | C6 | C15 | H15 | 6.7° | 0.0° |
| C6 | C5 | O28 | H28 | 8.8° | 89.9° |
| O28 | C5 | C3 | C9 | 171.4° | 179.7° |
| O28 | C5 | C3 | N2 | 7.6° | 0.1° |
| O28 | C5 | C6 | C7 | 170.8° | 180.0° |
| O28 | C5 | C6 | C15 | 16.3° | 0.0° |
| C3 | C9 | C8 | S35 | 179.7° | 179.4° |
| C3 | C9 | C8 | C7 | 0.2° | 0.7° |
| C3 | C9 | C8 | H8 | 179.8° | 179.8° |
| C3 | C9 | S35 | O39 | 157.7° | 90.5° |
| C3 | C9 | S35 | O40 | 82.1° | 22.0° |
| C3 | C9 | S35 | O42 | 37.9° | 156.8° |
| C9 | C3 | N2 | N1 | 127.7° | 179.7° |
| N2 | C3 | C9 | C8 | 178.5° | 179.6° |
| N2 | C3 | C9 | S35 | 1.2° | 0.2° |
| C9 | C8 | C7 | H8 | 180.0° | 179.6° |
| C9 | C8 | C7 | C6 | 0.3° | 0.4° |
| C9 | C8 | C7 | C18 | 173.1° | 179.7° |
| C8 | C9 | S35 | O39 | 22.0° | 90.1° |
| C8 | C9 | S35 | O40 | 98.2° | 157.4° |
| C8 | C9 | S35 | O42 | 141.8° | 22.6° |
| S35 | C9 | C8 | C7 | 180.0° | 179.9° |
| S35 | C9 | C8 | H8 | 0.1° | 0.4° |
| C9 | S35 | O39 | O40 | 120.0° | 112.6° |
| C9 | S35 | O39 | O42 | 119.8° | 112.6° |
| C9 | S35 | O39 | H39 | 180.0° | 180.0° |
| C9 | S35 | O40 | O42 | 119.9° | 123.2° |
| C8 | C7 | C6 | C18 | 172.7° | 179.9° |
| C8 | C7 | C6 | C15 | 172.3° | 179.9° |
| C8 | C7 | C18 | C17 | 172.3° | 179.9° |
| C8 | C7 | C18 | S36 | 11.1° | 0.1° |
| H8 | C8 | C7 | C6 | 179.6° | 180.0° |
| H8 | C8 | C7 | C18 | 6.9° | 0.1° |
| C7 | C6 | C15 | C16 | 0.3° | 0.0° |
| C7 | C6 | C15 | H15 | 179.7° | 180.0° |
| C6 | C7 | C18 | C17 | 0.4° | 0.0° |
| C6 | C7 | C18 | S36 | 176.1° | 179.9° |
| C18 | C7 | C6 | C15 | 0.4° | 0.0° |
| C7 | C18 | C17 | C16 | 0.2° | 0.0° |
| C7 | C18 | C17 | S36 | 176.5° | 179.9° |
| C7 | C18 | C17 | N19 | 173.5° | 180.0° |
| C7 | C18 | S36 | O37 | 72.6° | 81.8° |
| C7 | C18 | S36 | O38 | 167.1° | 165.7° |
| C7 | C18 | S36 | O41 | 47.0° | 30.8° |
| C6 | C15 | C16 | H15 | 180.0° | 180.0° |
| C6 | C15 | C16 | C17 | 0.1° | 0.0° |
| C6 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 179.9° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | N19 | 173.3° | 180.0° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| C16 | C17 | C18 | N19 | 173.3° | 180.0° |
| C16 | C17 | C18 | S36 | 176.3° | 179.9° |
| C16 | C17 | N19 | C20 | 41.5° | 27.8° |
| C16 | C17 | N19 | H19 | 83.8° | 152.2° |
| H16 | C16 | C17 | C18 | 180.0° | 179.9° |
| H16 | C16 | C17 | N19 | 6.7° | 0.1° |
| C17 | C18 | S36 | O37 | 110.9° | 98.3° |
| C17 | C18 | S36 | O38 | 9.4° | 14.3° |
| C17 | C18 | S36 | O41 | 129.5° | 149.2° |
| C18 | C17 | N19 | C20 | 145.2° | 152.2° |
| C18 | C17 | N19 | H19 | 89.5° | 27.9° |
| N19 | C17 | C18 | S36 | 3.0° | 0.1° |
| C17 | N19 | C20 | H19 | 125.2° | 180.0° |
| C17 | N19 | C20 | N21 | 28.7° | 174.0° |
| C17 | N19 | C20 | N25 | 154.1° | 6.2° |
| C18 | S36 | O37 | O38 | 120.4° | 112.6° |
| C18 | S36 | O37 | O41 | 119.5° | 112.6° |
| C18 | S36 | O37 | H37 | 180.0° | 180.0° |
| C18 | S36 | O38 | O41 | 120.1° | 123.2° |
| O37 | S36 | O38 | O41 | 120.2° | 123.1° |
| H37 | O37 | S36 | O38 | 59.6° | 67.4° |
| H37 | O37 | S36 | O41 | 60.6° | 67.4° |
| O39 | S35 | O40 | O42 | 120.1° | 123.1° |
| H39 | O39 | S35 | O40 | 59.9° | 67.4° |
| H39 | O39 | S35 | O42 | 60.3° | 67.4° |
| N19 | C20 | N21 | N25 | 177.3° | 179.7° |
| N19 | C20 | N21 | C22 | 177.3° | 179.7° |
| N19 | C20 | N25 | C24 | 177.2° | 180.0° |
| H19 | N19 | C20 | N21 | 96.5° | 5.9° |
| H19 | N19 | C20 | N25 | 80.7° | 173.8° |
| N26 | C22 | N21 | C20 | 177.6° | 179.8° |
| N26 | C22 | N21 | N23 | 177.9° | 179.7° |
| N26 | C22 | N23 | C24 | 177.2° | 180.0° |
| H26 | N26 | C22 | N21 | 115.8° | 3.3° |
| H26 | N26 | C22 | N23 | 66.4° | 177.0° |
| C20 | N21 | C22 | N23 | 0.3° | 0.6° |
| N21 | C20 | N25 | C24 | 0.1° | 0.3° |
| N25 | C20 | N21 | C22 | 0.0° | 0.5° |
| C20 | N25 | C24 | N23 | 0.2° | 0.1° |
| C20 | N25 | C24 | H24 | 179.8° | 180.0° |
| N21 | C22 | N23 | C24 | 0.6° | 0.4° |
| C22 | N23 | C24 | N25 | 0.6° | 0.1° |
| C22 | N23 | C24 | H24 | 179.4° | 180.0° |
| N23 | C24 | N25 | H24 | 180.0° | 179.9° |
