ZU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C4 | sing | 1.53Å | 1.56Å | |
| C1 | C7 | sing | 1.51Å | 1.55Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | O30 | doub | 1.21Å | 1.24Å | |
| C9 | C11 | sing | 1.53Å | 1.33Å | |
| C11 | C13 | sing | 1.53Å | 1.43Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | N32 | sing | 1.46Å | 1.36Å | |
| C15 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | C19 | sing | 1.55Å | 1.53Å | |
| C17 | C25 | sing | 1.51Å | 1.46Å | |
| C19 | C21 | sing | 1.54Å | 1.53Å | |
| C21 | N23 | sing | 1.47Å | 1.43Å | |
| N23 | C25 | sing | 1.34Å | 1.39Å | |
| C25 | O28 | doub | 1.21Å | 1.25Å | |
| N32 | C34 | sing | 1.35Å | 1.45Å | |
| C34 | O36 | doub | 1.21Å | 1.22Å | |
| C34 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.55Å | |
| C38 | N48 | sing | 1.46Å | 1.47Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C44 | sing | 1.53Å | 1.54Å | |
| C42 | C46 | sing | 1.53Å | 1.54Å | |
| N48 | C50 | sing | 1.35Å | 1.34Å | |
| C50 | O52 | doub | 1.21Å | 1.20Å | |
| C50 | C54 | sing | 1.51Å | 1.42Å | |
| C54 | C56 | sing | 1.53Å | 1.53Å | |
| C54 | N70 | sing | 1.46Å | 1.43Å | |
| C56 | C58 | sing | 1.53Å | 1.57Å | |
| C56 | O60 | sing | 1.43Å | 1.48Å | |
| O60 | C62 | sing | 1.43Å | 1.50Å | |
| C62 | C64 | sing | 1.53Å | 1.53Å | |
| C62 | C66 | sing | 1.53Å | 1.61Å | |
| C62 | C68 | sing | 1.53Å | 1.52Å | |
| N70 | C72 | sing | 1.35Å | 1.39Å | |
| C72 | O74 | doub | 1.21Å | 1.25Å | |
| C72 | O76 | sing | 1.35Å | 1.38Å | |
| O76 | C78 | sing | 1.45Å | 1.44Å | |
| C78 | C80 | sing | 1.51Å | 1.51Å | |
| C80 | C82 | doub | 1.38Å | 1.36Å | Aromatic |
| C80 | C86 | sing | 1.38Å | 1.45Å | Aromatic |
| C82 | C83 | sing | 1.38Å | 1.48Å | Aromatic |
| C83 | C84 | doub | 1.38Å | 1.49Å | Aromatic |
| C84 | C85 | sing | 1.38Å | 1.47Å | Aromatic |
| C85 | C86 | doub | 1.38Å | 1.48Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| N48 | HN48 | sing | 0.97Å | 1.00Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C58 | H58B | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| C64 | H64A | sing | 1.09Å | 1.10Å | |
| C64 | H64B | sing | 1.09Å | 1.10Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| C66 | H66B | sing | 1.09Å | 1.10Å | |
| C68 | H68 | sing | 1.09Å | 1.10Å | |
| C68 | H68A | sing | 1.09Å | 1.10Å | |
| C68 | H68B | sing | 1.09Å | 1.10Å | |
| N70 | HN70 | sing | 0.97Å | 1.00Å | |
| C78 | H78 | sing | 1.09Å | 1.10Å | |
| C78 | H78A | sing | 1.09Å | 1.10Å | |
| C82 | H82 | sing | 1.08Å | 1.08Å | |
| C83 | H83 | sing | 1.08Å | 1.08Å | |
| C84 | H84 | sing | 1.08Å | 1.08Å | |
| C85 | H85 | sing | 1.08Å | 1.08Å | |
| C86 | H86 | sing | 1.08Å | 1.08Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 58.7° | 60.0° |
| C2 | C1 | C7 | 121.8° | 117.5° |
| C1 | C2 | C4 | 60.8° | 60.0° |
| C2 | C1 | H1 | 130.8° | 117.5° |
| C1 | C2 | H2 | 130.4° | 117.5° |
| C1 | C2 | H2A | 130.4° | 117.5° |
| C4 | C1 | C7 | 109.8° | 117.5° |
| C1 | C4 | C2 | 60.5° | 60.0° |
| C4 | C1 | H1 | 141.0° | 117.5° |
| C1 | C4 | H4 | 130.6° | 117.5° |
| C1 | C4 | H4A | 130.6° | 117.4° |
| C1 | C7 | C9 | 122.7° | 120.0° |
| C1 | C7 | O30 | 116.8° | 120.0° |
| C7 | C1 | H1 | 95.1° | 115.6° |
| C4 | C2 | H2 | 130.5° | 117.5° |
| C4 | C2 | H2A | 130.5° | 117.5° |
| C2 | C4 | H4 | 130.6° | 117.5° |
| C2 | C4 | H4A | 130.6° | 117.5° |
| C9 | C7 | O30 | 120.5° | 120.0° |
| C7 | C9 | C11 | 115.4° | 109.5° |
| C7 | C9 | H9 | 107.5° | 109.5° |
| C7 | C9 | H9A | 107.5° | 109.4° |
| C9 | C11 | C13 | 121.4° | 109.5° |
| C11 | C9 | H9 | 107.5° | 109.5° |
| C9 | C11 | H11 | 105.7° | 109.5° |
| C11 | C9 | H9A | 107.5° | 109.5° |
| C9 | C11 | H11A | 105.7° | 109.5° |
| C11 | C13 | C15 | 130.5° | 109.5° |
| C11 | C13 | N32 | 99.8° | 109.5° |
| C13 | C11 | H11 | 105.7° | 109.4° |
| C11 | C13 | H13 | 103.9° | 109.4° |
| C13 | C11 | H11A | 105.7° | 109.5° |
| C15 | C13 | N32 | 113.7° | 109.4° |
| C13 | C15 | C17 | 134.9° | 109.4° |
| C15 | C13 | H13 | 86.0° | 109.5° |
| C13 | C15 | H15 | 101.7° | 109.5° |
| C13 | C15 | H15A | 101.7° | 109.5° |
| C13 | N32 | C34 | 127.6° | 120.0° |
| N32 | C13 | H13 | 125.0° | 109.5° |
| C13 | N32 | HN32 | 116.2° | 120.0° |
| C15 | C17 | C19 | 108.1° | 110.5° |
| C15 | C17 | C25 | 117.2° | 110.5° |
| C17 | C15 | H15 | 101.7° | 109.5° |
| C17 | C15 | H15A | 101.7° | 109.5° |
| C15 | C17 | H17 | 102.8° | 110.5° |
| C19 | C17 | C25 | 100.7° | 104.2° |
| C17 | C19 | C21 | 104.3° | 101.8° |
| C19 | C17 | H17 | 118.8° | 110.5° |
| C17 | C19 | H19 | 111.2° | 111.0° |
| C17 | C19 | H19A | 111.2° | 110.9° |
| C17 | C25 | N23 | 111.1° | 110.1° |
| C17 | C25 | O28 | 124.5° | 125.0° |
| C25 | C17 | H17 | 109.9° | 110.6° |
| C19 | C21 | N23 | 102.1° | 105.4° |
| C21 | C19 | H19 | 111.2° | 111.0° |
| C21 | C19 | H19A | 111.2° | 110.9° |
| C19 | C21 | H21 | 112.0° | 110.2° |
| C19 | C21 | H21A | 112.0° | 110.3° |
| C21 | N23 | C25 | 110.6° | 111.3° |
| N23 | C21 | H21 | 112.0° | 110.3° |
| N23 | C21 | H21A | 112.0° | 110.2° |
| C21 | N23 | HN23 | 124.7° | 124.3° |
| N23 | C25 | O28 | 124.4° | 124.9° |
| C25 | N23 | HN23 | 124.7° | 124.4° |
| N32 | C34 | O36 | 118.8° | 120.0° |
| N32 | C34 | C38 | 123.2° | 120.1° |
| C34 | N32 | HN32 | 116.2° | 119.9° |
| O36 | C34 | C38 | 118.0° | 120.0° |
| C34 | C38 | C40 | 116.9° | 109.5° |
| C34 | C38 | N48 | 112.8° | 109.5° |
| C34 | C38 | H38 | 101.1° | 109.4° |
| C40 | C38 | N48 | 108.2° | 109.5° |
| C38 | C40 | C42 | 135.0° | 109.4° |
| C40 | C38 | H38 | 106.4° | 109.5° |
| C38 | C40 | H40 | 101.7° | 109.4° |
| C38 | C40 | H40A | 101.7° | 109.5° |
| C38 | N48 | C50 | 119.9° | 120.0° |
| N48 | C38 | H38 | 111.1° | 109.4° |
| C38 | N48 | HN48 | 120.1° | 119.9° |
| C40 | C42 | C44 | 111.8° | 109.4° |
| C40 | C42 | C46 | 109.6° | 109.5° |
| C42 | C40 | H40 | 101.7° | 109.5° |
| C42 | C40 | H40A | 101.7° | 109.5° |
| C40 | C42 | H42 | 108.3° | 109.5° |
| C44 | C42 | C46 | 111.0° | 109.5° |
| C44 | C42 | H42 | 106.9° | 109.5° |
| C42 | C44 | H44 | 109.5° | 109.5° |
| C42 | C44 | H44A | 109.5° | 109.5° |
| C42 | C44 | H44B | 109.5° | 109.5° |
| C46 | C42 | H42 | 109.2° | 109.5° |
| C42 | C46 | H46 | 109.5° | 109.4° |
| C42 | C46 | H46A | 109.4° | 109.4° |
| C42 | C46 | H46B | 109.5° | 109.5° |
| N48 | C50 | O52 | 121.0° | 120.0° |
| N48 | C50 | C54 | 100.0° | 120.0° |
| C50 | N48 | HN48 | 120.0° | 120.0° |
| O52 | C50 | C54 | 139.0° | 120.0° |
| C50 | C54 | C56 | 111.8° | 109.5° |
| C50 | C54 | N70 | 103.6° | 109.5° |
| C50 | C54 | H54 | 110.9° | 109.5° |
| C56 | C54 | N70 | 106.8° | 109.5° |
| C54 | C56 | C58 | 111.2° | 109.5° |
| C54 | C56 | O60 | 126.4° | 109.5° |
| C56 | C54 | H54 | 108.0° | 109.4° |
| C54 | C56 | H56 | 92.7° | 109.5° |
| C54 | N70 | C72 | 127.3° | 120.0° |
| N70 | C54 | H54 | 115.6° | 109.5° |
| C54 | N70 | HN70 | 116.4° | 120.0° |
| C58 | C56 | O60 | 93.6° | 109.5° |
| C58 | C56 | H56 | 125.9° | 109.5° |
| C56 | C58 | H58 | 109.5° | 109.5° |
| C56 | C58 | H58A | 109.4° | 109.5° |
| C56 | C58 | H58B | 109.4° | 109.4° |
| C56 | O60 | C62 | 131.2° | 114.0° |
| O60 | C56 | H56 | 110.5° | 109.4° |
| O60 | C62 | C64 | 107.6° | 109.5° |
| O60 | C62 | C66 | 107.5° | 109.5° |
| O60 | C62 | C68 | 108.1° | 109.5° |
| C64 | C62 | C66 | 108.3° | 109.4° |
| C64 | C62 | C68 | 128.9° | 109.5° |
| C62 | C64 | H64 | 109.5° | 109.5° |
| C62 | C64 | H64A | 109.4° | 109.5° |
| C62 | C64 | H64B | 109.5° | 109.4° |
| C66 | C62 | C68 | 94.5° | 109.5° |
| C62 | C66 | H66 | 109.5° | 109.4° |
| C62 | C66 | H66A | 109.5° | 109.5° |
| C62 | C66 | H66B | 109.4° | 109.5° |
| C62 | C68 | H68 | 109.5° | 109.5° |
| C62 | C68 | H68A | 109.4° | 109.5° |
| C62 | C68 | H68B | 109.5° | 109.5° |
| N70 | C72 | O74 | 118.4° | 120.0° |
| N70 | C72 | O76 | 131.7° | 120.0° |
| C72 | N70 | HN70 | 116.4° | 120.0° |
| O74 | C72 | O76 | 109.9° | 120.0° |
| C72 | O76 | C78 | 133.4° | 117.0° |
| O76 | C78 | C80 | 111.6° | 109.5° |
| O76 | C78 | H78 | 108.7° | 109.5° |
| O76 | C78 | H78A | 108.7° | 109.4° |
| C78 | C80 | C82 | 121.9° | 120.0° |
| C78 | C80 | C86 | 118.6° | 120.0° |
| C80 | C78 | H78 | 108.8° | 109.5° |
| C80 | C78 | H78A | 108.8° | 109.5° |
| C82 | C80 | C86 | 119.6° | 120.0° |
| C80 | C82 | C83 | 124.2° | 120.0° |
| C80 | C82 | H82 | 117.9° | 120.0° |
| C80 | C86 | C85 | 120.1° | 120.0° |
| C80 | C86 | H86 | 119.9° | 120.0° |
| C82 | C83 | C84 | 117.9° | 120.0° |
| C83 | C82 | H82 | 117.9° | 120.0° |
| C82 | C83 | H83 | 121.0° | 120.0° |
| C83 | C84 | C85 | 117.7° | 120.0° |
| C84 | C83 | H83 | 121.1° | 119.9° |
| C83 | C84 | H84 | 121.1° | 120.0° |
| C84 | C85 | C86 | 120.5° | 120.0° |
| C85 | C84 | H84 | 121.1° | 120.0° |
| C84 | C85 | H85 | 119.7° | 120.0° |
| C86 | C85 | H85 | 119.8° | 120.0° |
| C85 | C86 | H86 | 120.0° | 120.0° |
| H2 | C2 | H2A | 82.4° | 115.6° |
| H4 | C4 | H4A | 82.2° | 115.6° |
| H9 | C9 | H9A | 111.3° | 109.5° |
| H11 | C11 | H11A | 113.0° | 109.5° |
| H15 | C15 | H15A | 116.0° | 109.5° |
| H19 | C19 | H19A | 107.6° | 110.9° |
| H21 | C21 | H21A | 106.8° | 110.3° |
| H40 | C40 | H40A | 116.0° | 109.5° |
| H44 | C44 | H44A | 109.4° | 109.4° |
| H44 | C44 | H44B | 109.5° | 109.4° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| H46 | C46 | H46A | 109.5° | 109.5° |
| H46 | C46 | H46B | 109.5° | 109.5° |
| H46A | C46 | H46B | 109.5° | 109.5° |
| H58 | C58 | H58A | 109.4° | 109.5° |
| H58 | C58 | H58B | 109.5° | 109.5° |
| H58A | C58 | H58B | 109.5° | 109.5° |
| H64 | C64 | H64A | 109.5° | 109.5° |
| H64 | C64 | H64B | 109.4° | 109.4° |
| H64A | C64 | H64B | 109.5° | 109.5° |
| H66 | C66 | H66A | 109.5° | 109.5° |
| H66 | C66 | H66B | 109.4° | 109.5° |
| H66A | C66 | H66B | 109.5° | 109.5° |
| H68 | C68 | H68A | 109.4° | 109.4° |
| H68 | C68 | H68B | 109.5° | 109.5° |
| H68A | C68 | H68B | 109.5° | 109.4° |
| H78 | C78 | H78A | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | C7 | 115.9° | 107.5° |
| C2 | C1 | C4 | H1 | 117.7° | 107.5° |
| C2 | C1 | C7 | H1 | 145.8° | 145.6° |
| C1 | C2 | C4 | H2 | 120.0° | 107.5° |
| C1 | C2 | C4 | H2A | 120.0° | 107.5° |
| C2 | C1 | C7 | C9 | 32.1° | 155.0° |
| C2 | C1 | C7 | O30 | 147.7° | 25.1° |
| C1 | C2 | H2 | H2A | 138.3° | 145.7° |
| C2 | C1 | C4 | H4 | 120.0° | 107.5° |
| C2 | C1 | C4 | H4A | 120.0° | 107.5° |
| C4 | C1 | C7 | H1 | 149.5° | 145.7° |
| C4 | C1 | C7 | C9 | 32.7° | 136.4° |
| C4 | C1 | C7 | O30 | 147.5° | 43.6° |
| C1 | C4 | H4 | H4A | 138.4° | 145.7° |
| C1 | C7 | C9 | O30 | 179.8° | 179.9° |
| C1 | C7 | C9 | C11 | 179.8° | 180.0° |
| C7 | C1 | C2 | H2 | 144.8° | 145.0° |
| C7 | C1 | C2 | H2A | 24.9° | 0.0° |
| C7 | C1 | C4 | H4 | 4.1° | 0.0° |
| C7 | C1 | C4 | H4A | 124.2° | 145.0° |
| C1 | C7 | C9 | H9 | 59.8° | 60.0° |
| C1 | C7 | C9 | H9A | 60.2° | 60.0° |
| C4 | C2 | H2 | H2A | 138.3° | 145.7° |
| C2 | C4 | H4 | H4A | 138.4° | 145.7° |
| C7 | C9 | C11 | H9 | 120.0° | 120.0° |
| C7 | C9 | C11 | H9A | 120.0° | 120.0° |
| C7 | C9 | C11 | C13 | 130.6° | 180.0° |
| C9 | C7 | C1 | H1 | 177.8° | 9.3° |
| C7 | C9 | H9 | H9A | 117.5° | 120.0° |
| C7 | C9 | C11 | H11 | 109.4° | 60.0° |
| C7 | C9 | C11 | H11A | 10.6° | 60.0° |
| O30 | C7 | C9 | C11 | 0.5° | 0.0° |
| O30 | C7 | C1 | H1 | 1.9° | 170.7° |
| O30 | C7 | C9 | H9 | 120.5° | 120.0° |
| O30 | C7 | C9 | H9A | 119.5° | 119.9° |
| C9 | C11 | C13 | H11 | 120.0° | 120.0° |
| C9 | C11 | C13 | H11A | 120.0° | 120.0° |
| C9 | C11 | C13 | C15 | 159.5° | 175.0° |
| C9 | C11 | C13 | N32 | 67.2° | 65.0° |
| C11 | C9 | H9 | H9A | 117.6° | 120.0° |
| C9 | C11 | H11 | H11A | 115.1° | 120.1° |
| C9 | C11 | C13 | H13 | 62.8° | 55.0° |
| C11 | C13 | C15 | N32 | 128.5° | 120.0° |
| C11 | C13 | C15 | H13 | 104.9° | 119.9° |
| C11 | C13 | N32 | H13 | 114.8° | 120.0° |
| C11 | C13 | C15 | C17 | 166.4° | 65.7° |
| C11 | C13 | N32 | C34 | 126.5° | 153.6° |
| C13 | C11 | C9 | H9 | 10.7° | 60.1° |
| C13 | C11 | H11 | H11A | 115.1° | 120.0° |
| C11 | C13 | C15 | H15 | 73.6° | 174.3° |
| C11 | C13 | C15 | H15A | 46.5° | 54.3° |
| C11 | C13 | N32 | HN32 | 53.5° | 26.4° |
| C13 | C11 | C9 | H9A | 109.4° | 60.0° |
| C15 | C13 | N32 | H13 | 102.4° | 120.0° |
| C13 | C15 | C17 | H15 | 120.0° | 120.0° |
| C13 | C15 | C17 | H15A | 120.0° | 120.0° |
| C13 | C15 | C17 | C19 | 67.0° | 175.5° |
| C13 | C15 | C17 | C25 | 179.8° | 69.8° |
| C15 | C13 | N32 | C34 | 90.6° | 86.4° |
| C15 | C13 | C11 | H11 | 80.5° | 65.0° |
| C13 | C15 | H15 | H15A | 109.4° | 120.0° |
| C13 | C15 | C17 | H17 | 59.5° | 52.9° |
| C15 | C13 | N32 | HN32 | 89.4° | 93.6° |
| C15 | C13 | C11 | H11A | 39.5° | 55.0° |
| N32 | C13 | C15 | C17 | 65.1° | 174.2° |
| C13 | N32 | C34 | HN32 | 180.0° | 179.9° |
| C13 | N32 | C34 | O36 | 17.3° | 5.1° |
| C13 | N32 | C34 | C38 | 161.0° | 174.8° |
| N32 | C13 | C11 | H11 | 52.8° | 55.0° |
| N32 | C13 | C15 | H15 | 54.9° | 54.3° |
| N32 | C13 | C15 | H15A | 174.9° | 65.8° |
| N32 | C13 | C11 | H11A | 172.8° | 174.9° |
| C15 | C17 | C19 | C25 | 123.5° | 118.7° |
| C15 | C17 | C19 | H17 | 116.5° | 122.5° |
| C15 | C17 | C25 | H17 | 116.8° | 122.6° |
| C15 | C17 | C19 | C21 | 154.9° | 143.5° |
| C15 | C17 | C25 | N23 | 137.0° | 134.9° |
| C15 | C17 | C25 | O28 | 43.2° | 45.2° |
| C17 | C15 | C13 | H13 | 61.5° | 54.2° |
| C17 | C15 | H15 | H15A | 109.4° | 120.0° |
| C15 | C17 | C19 | H19 | 34.9° | 25.3° |
| C15 | C17 | C19 | H19A | 85.1° | 98.4° |
| C19 | C17 | C25 | H17 | 126.2° | 118.7° |
| C17 | C19 | C21 | H19 | 120.0° | 118.2° |
| C17 | C19 | C21 | H19A | 120.0° | 118.1° |
| C17 | C19 | C21 | N23 | 31.9° | 25.4° |
| C19 | C17 | C25 | N23 | 20.1° | 16.3° |
| C19 | C17 | C25 | O28 | 160.2° | 163.8° |
| C19 | C17 | C15 | H15 | 173.1° | 64.5° |
| C19 | C17 | C15 | H15A | 53.0° | 55.5° |
| C17 | C19 | H19 | H19A | 122.1° | 123.8° |
| C17 | C19 | C21 | H21 | 151.9° | 144.4° |
| C17 | C19 | C21 | H21A | 88.1° | 93.5° |
| C25 | C17 | C19 | C21 | 31.4° | 24.9° |
| C17 | C25 | N23 | C21 | 0.0° | 0.4° |
| C17 | C25 | N23 | O28 | 179.7° | 179.9° |
| C25 | C17 | C15 | H15 | 60.2° | 50.2° |
| C25 | C17 | C15 | H15A | 59.8° | 170.2° |
| C25 | C17 | C19 | H19 | 88.6° | 93.4° |
| C25 | C17 | C19 | H19A | 151.4° | 142.9° |
| C17 | C25 | N23 | HN23 | 180.0° | 179.6° |
| C19 | C21 | N23 | H21 | 120.0° | 118.9° |
| C19 | C21 | N23 | H21A | 120.0° | 119.0° |
| C19 | C21 | N23 | C25 | 20.2° | 17.0° |
| C21 | C19 | C17 | H17 | 88.6° | 93.9° |
| C21 | C19 | H19 | H19A | 122.1° | 123.8° |
| C19 | C21 | H21 | H21A | 123.0° | 122.1° |
| C19 | C21 | N23 | HN23 | 159.7° | 163.0° |
| C21 | N23 | C25 | HN23 | 180.0° | 180.0° |
| C21 | N23 | C25 | O28 | 179.7° | 179.5° |
| N23 | C21 | C19 | H19 | 88.1° | 92.7° |
| N23 | C21 | C19 | H19A | 151.9° | 143.5° |
| N23 | C21 | H21 | H21A | 123.0° | 122.0° |
| N23 | C25 | C17 | H17 | 106.1° | 102.4° |
| C25 | N23 | C21 | H21 | 140.3° | 136.0° |
| C25 | N23 | C21 | H21A | 99.7° | 102.0° |
| O28 | C25 | C17 | H17 | 73.6° | 77.5° |
| O28 | C25 | N23 | HN23 | 0.3° | 0.5° |
| N32 | C34 | O36 | C38 | 178.3° | 180.0° |
| N32 | C34 | C38 | C40 | 99.6° | 60.0° |
| N32 | C34 | C38 | N48 | 134.0° | 180.0° |
| C34 | N32 | C13 | H13 | 11.7° | 33.5° |
| N32 | C34 | C38 | H38 | 15.3° | 60.0° |
| O36 | C34 | C38 | C40 | 82.2° | 120.0° |
| O36 | C34 | C38 | N48 | 44.2° | 0.0° |
| O36 | C34 | N32 | HN32 | 162.8° | 174.9° |
| O36 | C34 | C38 | H38 | 162.9° | 120.0° |
| C34 | C38 | C40 | N48 | 128.6° | 120.1° |
| C34 | C38 | C40 | H38 | 111.9° | 120.0° |
| C34 | C38 | N48 | H38 | 112.7° | 120.0° |
| C34 | C38 | C40 | C42 | 160.2° | 175.0° |
| C34 | C38 | N48 | C50 | 70.8° | 154.9° |
| C38 | C34 | N32 | HN32 | 19.0° | 5.1° |
| C34 | C38 | C40 | H40 | 79.8° | 65.0° |
| C34 | C38 | C40 | H40A | 40.2° | 55.0° |
| C34 | C38 | N48 | HN48 | 109.2° | 25.0° |
| C40 | C38 | N48 | H38 | 116.4° | 120.0° |
| C38 | C40 | C42 | H40 | 120.0° | 120.0° |
| C38 | C40 | C42 | H40A | 120.0° | 120.0° |
| C38 | C40 | C42 | C44 | 54.3° | 175.0° |
| C38 | C40 | C42 | C46 | 177.8° | 65.1° |
| C40 | C38 | N48 | C50 | 158.3° | 85.0° |
| C38 | C40 | H40 | H40A | 109.4° | 120.0° |
| C38 | C40 | C42 | H42 | 63.2° | 55.0° |
| C40 | C38 | N48 | HN48 | 21.7° | 95.0° |
| N48 | C38 | C40 | C42 | 71.2° | 65.0° |
| C38 | N48 | C50 | HN48 | 180.0° | 179.9° |
| C38 | N48 | C50 | O52 | 0.3° | 5.2° |
| C38 | N48 | C50 | C54 | 178.8° | 174.7° |
| N48 | C38 | C40 | H40 | 48.8° | 55.0° |
| N48 | C38 | C40 | H40A | 168.8° | 175.0° |
| C40 | C42 | C44 | C46 | 122.7° | 120.0° |
| C40 | C42 | C44 | H42 | 118.3° | 120.0° |
| C40 | C42 | C46 | H42 | 118.5° | 120.1° |
| C42 | C40 | C38 | H38 | 48.3° | 55.0° |
| C42 | C40 | H40 | H40A | 109.4° | 120.0° |
| C40 | C42 | C44 | H44 | 180.0° | 60.0° |
| C40 | C42 | C44 | H44A | 60.0° | 180.0° |
| C40 | C42 | C44 | H44B | 60.0° | 60.0° |
| C40 | C42 | C46 | H46 | 180.0° | 60.1° |
| C40 | C42 | C46 | H46A | 60.0° | 180.0° |
| C40 | C42 | C46 | H46B | 60.0° | 59.9° |
| C44 | C42 | C46 | H42 | 117.5° | 120.0° |
| C44 | C42 | C40 | H40 | 174.3° | 55.0° |
| C44 | C42 | C40 | H40A | 65.7° | 65.0° |
| C42 | C44 | H44 | H44A | 120.0° | 120.0° |
| C42 | C44 | H44 | H44B | 120.0° | 120.0° |
| C42 | C44 | H44A | H44B | 120.0° | 120.1° |
| C44 | C42 | C46 | H46 | 56.0° | 180.0° |
| C44 | C42 | C46 | H46A | 176.0° | 60.0° |
| C44 | C42 | C46 | H46B | 64.0° | 60.0° |
| C46 | C42 | C40 | H40 | 62.2° | 175.0° |
| C46 | C42 | C40 | H40A | 57.8° | 54.9° |
| C46 | C42 | C44 | H44 | 57.3° | 59.9° |
| C46 | C42 | C44 | H44A | 62.7° | 60.0° |
| C46 | C42 | C44 | H44B | 177.3° | 179.9° |
| C42 | C46 | H46 | H46A | 120.0° | 119.9° |
| C42 | C46 | H46 | H46B | 120.0° | 120.0° |
| C42 | C46 | H46A | H46B | 120.0° | 120.0° |
| N48 | C50 | O52 | C54 | 178.7° | 179.9° |
| N48 | C50 | C54 | C56 | 128.7° | 77.0° |
| N48 | C50 | C54 | N70 | 116.6° | 163.0° |
| C50 | N48 | C38 | H38 | 41.9° | 35.0° |
| N48 | C50 | C54 | H54 | 8.1° | 43.0° |
| O52 | C50 | C54 | C56 | 50.1° | 103.1° |
| O52 | C50 | C54 | N70 | 64.5° | 16.9° |
| O52 | C50 | N48 | HN48 | 179.7° | 174.8° |
| O52 | C50 | C54 | H54 | 170.8° | 136.9° |
| C50 | C54 | C56 | N70 | 112.7° | 120.0° |
| C50 | C54 | C56 | H54 | 122.3° | 120.0° |
| C50 | C54 | N70 | H54 | 121.6° | 120.1° |
| C50 | C54 | C56 | C58 | 68.7° | 179.9° |
| C50 | C54 | C56 | O60 | 179.6° | 60.0° |
| C50 | C54 | N70 | C72 | 133.1° | 139.8° |
| C54 | C50 | N48 | HN48 | 1.2° | 5.3° |
| C50 | C54 | C56 | H56 | 61.6° | 60.0° |
| C50 | C54 | N70 | HN70 | 46.9° | 40.2° |
| C56 | C54 | N70 | H54 | 120.2° | 119.9° |
| C54 | C56 | C58 | O60 | 131.4° | 120.0° |
| C54 | C56 | C58 | H56 | 110.0° | 120.1° |
| C54 | C56 | O60 | H56 | 109.7° | 120.0° |
| C54 | C56 | O60 | C62 | 123.4° | 140.5° |
| C56 | C54 | N70 | C72 | 108.7° | 100.2° |
| C54 | C56 | C58 | H58 | 180.0° | 66.4° |
| C54 | C56 | C58 | H58A | 60.0° | 173.6° |
| C54 | C56 | C58 | H58B | 60.0° | 53.6° |
| C56 | C54 | N70 | HN70 | 71.3° | 79.8° |
| N70 | C54 | C56 | C58 | 178.6° | 59.9° |
| N70 | C54 | C56 | O60 | 66.9° | 60.1° |
| C54 | N70 | C72 | HN70 | 180.0° | 180.0° |
| C54 | N70 | C72 | O74 | 0.1° | 4.8° |
| C54 | N70 | C72 | O76 | 180.0° | 175.2° |
| N70 | C54 | C56 | H56 | 51.1° | 180.0° |
| C58 | C56 | O60 | H56 | 130.6° | 120.0° |
| C58 | C56 | O60 | C62 | 116.9° | 99.4° |
| C58 | C56 | C54 | H54 | 53.6° | 60.0° |
| C56 | C58 | H58 | H58A | 120.0° | 120.0° |
| C56 | C58 | H58 | H58B | 120.0° | 119.9° |
| C56 | C58 | H58A | H58B | 120.0° | 119.9° |
| C56 | O60 | C62 | C64 | 38.1° | 54.8° |
| C56 | O60 | C62 | C66 | 78.3° | 174.7° |
| C56 | O60 | C62 | C68 | 179.2° | 65.3° |
| O60 | C56 | C54 | H54 | 58.1° | 180.0° |
| O60 | C56 | C58 | H58 | 48.6° | 53.6° |
| O60 | C56 | C58 | H58A | 168.6° | 66.4° |
| O60 | C56 | C58 | H58B | 71.4° | 173.6° |
| O60 | C62 | C64 | C66 | 115.9° | 120.0° |
| O60 | C62 | C64 | C68 | 132.2° | 120.0° |
| O60 | C62 | C66 | C68 | 110.5° | 120.0° |
| C62 | O60 | C56 | H56 | 13.7° | 20.6° |
| O60 | C62 | C64 | H64 | 180.0° | 58.4° |
| O60 | C62 | C64 | H64A | 60.0° | 178.5° |
| O60 | C62 | C64 | H64B | 60.0° | 61.5° |
| O60 | C62 | C66 | H66 | 180.0° | 60.0° |
| O60 | C62 | C66 | H66A | 60.0° | 180.0° |
| O60 | C62 | C66 | H66B | 60.0° | 60.0° |
| O60 | C62 | C68 | H68 | 180.0° | 67.6° |
| O60 | C62 | C68 | H68A | 60.0° | 172.4° |
| O60 | C62 | C68 | H68B | 60.0° | 52.4° |
| C64 | C62 | C66 | C68 | 133.5° | 120.0° |
| C62 | C64 | H64 | H64A | 120.0° | 120.1° |
| C62 | C64 | H64 | H64B | 120.0° | 119.9° |
| C62 | C64 | H64A | H64B | 120.0° | 120.0° |
| C64 | C62 | C66 | H66 | 64.1° | 180.0° |
| C64 | C62 | C66 | H66A | 175.9° | 60.0° |
| C64 | C62 | C66 | H66B | 55.9° | 60.0° |
| C64 | C62 | C68 | H68 | 47.9° | 52.4° |
| C64 | C62 | C68 | H68A | 72.0° | 67.6° |
| C64 | C62 | C68 | H68B | 167.9° | 172.4° |
| C66 | C62 | C64 | H64 | 64.1° | 61.6° |
| C66 | C62 | C64 | H64A | 55.8° | 58.5° |
| C66 | C62 | C64 | H64B | 175.9° | 178.5° |
| C62 | C66 | H66 | H66A | 120.0° | 120.0° |
| C62 | C66 | H66 | H66B | 120.0° | 120.0° |
| C62 | C66 | H66A | H66B | 120.0° | 120.1° |
| C66 | C62 | C68 | H68 | 70.0° | 172.3° |
| C66 | C62 | C68 | H68A | 170.1° | 52.4° |
| C66 | C62 | C68 | H68B | 50.1° | 67.6° |
| C68 | C62 | C64 | H64 | 47.8° | 178.4° |
| C68 | C62 | C64 | H64A | 167.7° | 61.5° |
| C68 | C62 | C64 | H64B | 72.2° | 58.5° |
| C68 | C62 | C66 | H66 | 69.5° | 60.0° |
| C68 | C62 | C66 | H66A | 50.5° | 60.0° |
| C68 | C62 | C66 | H66B | 170.6° | 180.0° |
| C62 | C68 | H68 | H68A | 120.0° | 120.0° |
| C62 | C68 | H68 | H68B | 120.0° | 120.1° |
| C62 | C68 | H68A | H68B | 120.0° | 120.0° |
| N70 | C72 | O74 | O76 | 179.9° | 180.0° |
| N70 | C72 | O76 | C78 | 179.9° | 180.0° |
| C72 | N70 | C54 | H54 | 11.5° | 19.7° |
| O74 | C72 | O76 | C78 | 0.0° | 0.0° |
| O74 | C72 | N70 | HN70 | 180.0° | 175.2° |
| C72 | O76 | C78 | C80 | 72.2° | 180.0° |
| O76 | C72 | N70 | HN70 | 0.0° | 4.8° |
| C72 | O76 | C78 | H78 | 47.8° | 60.0° |
| C72 | O76 | C78 | H78A | 167.8° | 60.0° |
| O76 | C78 | C80 | H78 | 120.0° | 120.0° |
| O76 | C78 | C80 | H78A | 120.0° | 120.0° |
| O76 | C78 | C80 | C82 | 100.7° | 90.0° |
| O76 | C78 | C80 | C86 | 79.1° | 90.3° |
| O76 | C78 | H78 | H78A | 119.1° | 120.0° |
| C78 | C80 | C82 | C86 | 179.8° | 179.7° |
| C78 | C80 | C82 | C83 | 179.9° | 180.0° |
| C78 | C80 | C86 | C85 | 180.0° | 179.8° |
| C80 | C78 | H78 | H78A | 119.2° | 120.0° |
| C78 | C80 | C82 | H82 | 0.1° | 0.0° |
| C78 | C80 | C86 | H86 | 0.0° | 0.0° |
| C80 | C82 | C83 | H82 | 180.0° | 180.0° |
| C80 | C82 | C83 | C84 | 0.0° | 0.0° |
| C82 | C80 | C86 | C85 | 0.1° | 0.4° |
| C82 | C80 | C78 | H78 | 19.3° | 30.0° |
| C82 | C80 | C78 | H78A | 139.3° | 150.1° |
| C80 | C82 | C83 | H83 | 180.0° | 180.0° |
| C82 | C80 | C86 | H86 | 179.9° | 179.7° |
| C86 | C80 | C82 | C83 | 0.1° | 0.3° |
| C80 | C86 | C85 | C84 | 0.1° | 0.4° |
| C80 | C86 | C85 | H86 | 180.0° | 179.8° |
| C86 | C80 | C78 | H78 | 160.9° | 149.7° |
| C86 | C80 | C78 | H78A | 40.9° | 29.7° |
| C86 | C80 | C82 | H82 | 179.9° | 179.8° |
| C80 | C86 | C85 | H85 | 179.9° | 179.7° |
| C82 | C83 | C84 | H83 | 180.0° | 180.0° |
| C82 | C83 | C84 | C85 | 0.0° | 0.0° |
| C82 | C83 | C84 | H84 | 180.0° | 179.9° |
| C83 | C84 | C85 | H84 | 180.0° | 179.9° |
| C83 | C84 | C85 | C86 | 0.0° | 0.2° |
| C84 | C83 | C82 | H82 | 180.0° | 180.0° |
| C83 | C84 | C85 | H85 | 179.9° | 179.9° |
| C84 | C85 | C86 | H85 | 180.0° | 179.9° |
| C85 | C84 | C83 | H83 | 180.0° | 180.0° |
| C84 | C85 | C86 | H86 | 179.9° | 179.8° |
| C86 | C85 | C84 | H84 | 180.0° | 179.9° |
| H1 | C1 | C2 | H2 | 12.6° | 0.0° |
| H1 | C1 | C2 | H2A | 107.4° | 145.0° |
| H1 | C1 | C4 | H4 | 122.3° | 145.0° |
| H1 | C1 | C4 | H4A | 2.3° | 0.0° |
| H2 | C2 | C4 | H4 | 120.0° | 145.0° |
| H2 | C2 | C4 | H4A | 0.0° | 0.0° |
| H2A | C2 | C4 | H4 | 0.0° | 0.0° |
| H2A | C2 | C4 | H4A | 120.0° | 145.0° |
| H9 | C9 | C11 | H11 | 130.6° | NaN° |
| H9 | C9 | C11 | H11A | 109.3° | 59.9° |
| H11 | C11 | C13 | H13 | 177.2° | 175.0° |
| H11 | C11 | C9 | H9A | 10.6° | 59.9° |
| H13 | C13 | C15 | H15 | 178.5° | 65.8° |
| H13 | C13 | C15 | H15A | 58.4° | 174.2° |
| H13 | C13 | N32 | HN32 | 168.3° | 146.4° |
| H13 | C13 | C11 | H11A | 57.2° | 65.0° |
| H15 | C15 | C17 | H17 | 60.4° | 172.9° |
| H15A | C15 | C17 | H17 | 179.5° | 67.0° |
| H17 | C17 | C19 | H19 | 151.4° | 147.8° |
| H17 | C17 | C19 | H19A | 31.4° | 24.1° |
| H19 | C19 | C21 | H21 | 31.9° | 26.2° |
| H19 | C19 | C21 | H21A | 151.9° | 148.3° |
| H19A | C19 | C21 | H21 | 88.1° | 97.5° |
| H19A | C19 | C21 | H21A | 31.9° | 24.6° |
| H21 | C21 | N23 | HN23 | 39.7° | 44.0° |
| H21A | C21 | N23 | HN23 | 80.3° | 78.0° |
| H38 | C38 | C40 | H40 | 168.3° | 175.0° |
| H38 | C38 | C40 | H40A | 71.7° | 65.0° |
| H38 | C38 | N48 | HN48 | 138.1° | 145.0° |
| H40 | C40 | C42 | H42 | 56.9° | 65.0° |
| H40A | C40 | C42 | H42 | 176.8° | 175.0° |
| H42 | C42 | C44 | H44 | 61.7° | 180.0° |
| H42 | C42 | C44 | H44A | 178.4° | 60.0° |
| H42 | C42 | C44 | H44B | 58.3° | 60.0° |
| H42 | C42 | C46 | H46 | 61.5° | 60.0° |
| H42 | C42 | C46 | H46A | 58.5° | 60.0° |
| H42 | C42 | C46 | H46B | 178.5° | 180.0° |
| H44 | C44 | H44A | H44B | 120.0° | 120.0° |
| H46 | C46 | H46A | H46B | 120.0° | 120.0° |
| H54 | C54 | C56 | H56 | 176.1° | 60.0° |
| H54 | C54 | N70 | HN70 | 168.5° | 160.2° |
| H56 | C56 | C58 | H58 | 70.0° | 173.6° |
| H56 | C56 | C58 | H58A | 50.0° | 53.5° |
| H56 | C56 | C58 | H58B | 170.0° | 66.4° |
| H58 | C58 | H58A | H58B | 120.0° | 120.1° |
| H64 | C64 | H64A | H64B | 120.0° | 120.0° |
| H66 | C66 | H66A | H66B | 120.0° | 120.0° |
| H68 | C68 | H68A | H68B | 120.0° | 120.0° |
| H82 | C82 | C83 | H83 | 0.0° | 0.0° |
| H83 | C83 | C84 | H84 | 0.0° | 0.1° |
| H84 | C84 | C85 | H85 | 0.1° | 0.0° |
| H85 | C85 | C86 | H86 | 0.2° | 0.1° |
| H9A | C9 | C11 | H11A | 130.6° | 180.0° |
