746
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C11 | sing | 1.48Å | 1.49Å | |
| C1 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C4 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| N19 | C4 | sing | 1.40Å | 1.37Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | C11 | doub | 1.36Å | 1.40Å | |
| C11 | N12 | sing | 1.34Å | 1.37Å | |
| N12 | C13 | doub | 1.31Å | 1.35Å | |
| C14 | C13 | sing | 1.47Å | 1.39Å | |
| C13 | N47 | sing | 1.39Å | 1.35Å | |
| N16 | C14 | sing | 1.35Å | 1.34Å | |
| C14 | O15 | doub | 1.22Å | 1.28Å | |
| C60 | N16 | sing | 1.47Å | 1.48Å | |
| C17 | N16 | sing | 1.36Å | 1.36Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | N19 | sing | 1.35Å | 1.33Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C23 | C21 | sing | 1.48Å | 1.51Å | |
| C21 | O22 | doub | 1.22Å | 1.23Å | |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C31 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C38 | C33 | sing | 1.53Å | 1.52Å | |
| C42 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å | |
| N47 | C46 | sing | 1.39Å | 1.36Å | |
| C46 | C48 | doub | 1.39Å | 1.39Å | Aromatic |
| C46 | C52 | sing | 1.39Å | 1.39Å | Aromatic |
| N47 | HN47 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.38Å | 1.40Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | doub | 1.40Å | 1.40Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | sing | 1.40Å | 1.39Å | Aromatic |
| C50 | C71 | sing | 1.48Å | 1.51Å | |
| C52 | C51 | doub | 1.38Å | 1.38Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C60 | H60A | sing | 1.09Å | 1.10Å | |
| C60 | H60B | sing | 1.09Å | 1.10Å | |
| C71 | O72 | doub | 1.22Å | 1.22Å | |
| C71 | N83 | sing | 1.35Å | 1.35Å | |
| C82 | C81 | sing | 1.53Å | 1.53Å | |
| O86 | C81 | sing | 1.43Å | 1.43Å | |
| C81 | H81 | sing | 1.09Å | 1.10Å | |
| C81 | H81A | sing | 1.09Å | 1.10Å | |
| N83 | C82 | sing | 1.47Å | 1.47Å | |
| C82 | H82 | sing | 1.09Å | 1.10Å | |
| C82 | H82A | sing | 1.09Å | 1.10Å | |
| C84 | N83 | sing | 1.47Å | 1.49Å | |
| C84 | C85 | sing | 1.53Å | 1.53Å | |
| C84 | H84 | sing | 1.09Å | 1.10Å | |
| C84 | H84A | sing | 1.09Å | 1.10Å | |
| C85 | O86 | sing | 1.43Å | 1.43Å | |
| C85 | H85 | sing | 1.09Å | 1.10Å | |
| C85 | H85A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C11 | 125.7° | 120.1° |
| C2 | C1 | C9 | 118.1° | 119.8° |
| C1 | C2 | C3 | 119.7° | 120.1° |
| C1 | C2 | C4 | 120.0° | 119.8° |
| C11 | C1 | C9 | 116.2° | 120.1° |
| C1 | C11 | C17 | 121.9° | 119.3° |
| C1 | C11 | N12 | 119.8° | 119.3° |
| C1 | C9 | C7 | 120.4° | 120.1° |
| C1 | C9 | H9 | 119.8° | 119.9° |
| C3 | C2 | C4 | 120.3° | 120.1° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.4° |
| C2 | C3 | H3B | 109.5° | 109.5° |
| C2 | C4 | N19 | 117.7° | 120.0° |
| C2 | C4 | C5 | 121.0° | 120.0° |
| H3 | C3 | H3A | 109.4° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| N19 | C4 | C5 | 121.3° | 120.0° |
| C4 | N19 | C21 | 122.9° | 120.0° |
| C4 | N19 | HN19 | 118.6° | 120.0° |
| C4 | C5 | C7 | 119.0° | 120.2° |
| C4 | C5 | H5 | 120.5° | 119.9° |
| C7 | C5 | H5 | 120.5° | 119.9° |
| C5 | C7 | C9 | 121.5° | 120.2° |
| C5 | C7 | H7 | 119.3° | 119.9° |
| C9 | C7 | H7 | 119.2° | 119.9° |
| C7 | C9 | H9 | 119.8° | 120.0° |
| C17 | C11 | N12 | 118.3° | 121.4° |
| C11 | C17 | N16 | 119.8° | 120.8° |
| C11 | C17 | H17 | 120.1° | 119.6° |
| C11 | N12 | C13 | 121.0° | 120.7° |
| N12 | C13 | C14 | 119.9° | 119.2° |
| N12 | C13 | N47 | 123.4° | 120.4° |
| C14 | C13 | N47 | 116.7° | 120.4° |
| C13 | C14 | N16 | 119.5° | 118.6° |
| C13 | C14 | O15 | 119.9° | 120.6° |
| C13 | N47 | C46 | 130.9° | 120.0° |
| C13 | N47 | HN47 | 114.5° | 120.0° |
| N16 | C14 | O15 | 120.6° | 120.7° |
| C14 | N16 | C60 | 121.3° | 120.3° |
| C14 | N16 | C17 | 121.5° | 119.3° |
| C60 | N16 | C17 | 117.1° | 120.4° |
| N16 | C60 | H60 | 109.5° | 109.4° |
| N16 | C60 | H60A | 109.5° | 109.5° |
| N16 | C60 | H60B | 109.5° | 109.4° |
| N16 | C17 | H17 | 120.1° | 119.6° |
| C21 | N19 | HN19 | 118.6° | 120.0° |
| N19 | C21 | C23 | 117.8° | 120.0° |
| N19 | C21 | O22 | 123.2° | 120.0° |
| C23 | C21 | O22 | 118.9° | 120.0° |
| C21 | C23 | C24 | 122.3° | 120.1° |
| C21 | C23 | C31 | 117.0° | 120.1° |
| C24 | C23 | C31 | 120.6° | 119.7° |
| C23 | C24 | C26 | 120.2° | 119.8° |
| C23 | C24 | H24 | 119.9° | 120.1° |
| C23 | C31 | C29 | 119.1° | 119.8° |
| C23 | C31 | H31 | 120.4° | 120.1° |
| C26 | C24 | H24 | 119.9° | 120.1° |
| C24 | C26 | C28 | 120.0° | 120.2° |
| C24 | C26 | H26 | 120.0° | 119.9° |
| C28 | C26 | H26 | 120.0° | 119.9° |
| C26 | C28 | C33 | 120.0° | 119.8° |
| C26 | C28 | C29 | 119.4° | 120.3° |
| C33 | C28 | C29 | 120.6° | 119.9° |
| C28 | C33 | C38 | 111.2° | 109.5° |
| C28 | C33 | C42 | 112.1° | 109.5° |
| C28 | C33 | C34 | 108.1° | 109.5° |
| C28 | C29 | C31 | 120.8° | 120.2° |
| C28 | C29 | H29 | 119.6° | 119.9° |
| C31 | C29 | H29 | 119.6° | 119.9° |
| C29 | C31 | H31 | 120.4° | 120.1° |
| C38 | C33 | C42 | 108.8° | 109.5° |
| C38 | C33 | C34 | 108.5° | 109.5° |
| C33 | C38 | H38 | 109.5° | 109.4° |
| C33 | C38 | H38A | 109.4° | 109.5° |
| C33 | C38 | H38B | 109.5° | 109.5° |
| C42 | C33 | C34 | 108.0° | 109.5° |
| C33 | C42 | H42 | 109.5° | 109.4° |
| C33 | C42 | H42A | 109.5° | 109.5° |
| C33 | C42 | H42B | 109.5° | 109.5° |
| C33 | C34 | H34 | 109.5° | 109.5° |
| C33 | C34 | H34A | 109.5° | 109.5° |
| C33 | C34 | H34B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.4° |
| H34 | C34 | H34B | 109.4° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H38 | C38 | H38B | 109.5° | 109.4° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H42 | C42 | H42A | 109.5° | 109.5° |
| H42 | C42 | H42B | 109.4° | 109.5° |
| H42A | C42 | H42B | 109.5° | 109.5° |
| N47 | C46 | C48 | 124.6° | 119.9° |
| N47 | C46 | C52 | 115.6° | 119.9° |
| C46 | N47 | HN47 | 114.5° | 120.0° |
| C48 | C46 | C52 | 119.8° | 120.2° |
| C46 | C48 | C49 | 119.4° | 120.1° |
| C46 | C48 | H48 | 120.3° | 120.0° |
| C46 | C52 | C51 | 121.2° | 120.0° |
| C46 | C52 | H52 | 119.4° | 120.0° |
| C49 | C48 | H48 | 120.3° | 119.9° |
| C48 | C49 | C50 | 120.1° | 119.9° |
| C48 | C49 | H49 | 119.9° | 120.1° |
| C50 | C49 | H49 | 119.9° | 120.0° |
| C49 | C50 | C51 | 120.1° | 119.9° |
| C49 | C50 | C71 | 121.3° | 120.1° |
| C51 | C50 | C71 | 118.6° | 120.0° |
| C50 | C51 | C52 | 119.3° | 119.9° |
| C50 | C51 | H51 | 120.3° | 120.1° |
| C50 | C71 | O72 | 117.3° | 120.0° |
| C50 | C71 | N83 | 120.4° | 120.0° |
| C52 | C51 | H51 | 120.3° | 120.0° |
| C51 | C52 | H52 | 119.4° | 120.0° |
| H60 | C60 | H60A | 109.5° | 109.5° |
| H60 | C60 | H60B | 109.4° | 109.5° |
| H60A | C60 | H60B | 109.5° | 109.5° |
| O72 | C71 | N83 | 122.3° | 119.9° |
| C71 | N83 | C82 | 120.4° | 120.9° |
| C71 | N83 | C84 | 123.7° | 121.0° |
| C82 | C81 | O86 | 108.4° | 109.3° |
| C82 | C81 | H81 | 109.8° | 109.5° |
| C82 | C81 | H81A | 109.8° | 109.5° |
| C81 | C82 | N83 | 106.9° | 108.4° |
| C81 | C82 | H82 | 110.3° | 109.7° |
| C81 | C82 | H82A | 110.3° | 109.7° |
| O86 | C81 | H81 | 109.8° | 109.5° |
| O86 | C81 | H81A | 109.8° | 109.5° |
| C81 | O86 | C85 | 111.0° | 114.1° |
| H81 | C81 | H81A | 109.1° | 109.5° |
| N83 | C82 | H82 | 110.3° | 109.7° |
| N83 | C82 | H82A | 110.3° | 109.7° |
| C82 | N83 | C84 | 115.8° | 118.0° |
| H82 | C82 | H82A | 108.6° | 109.7° |
| N83 | C84 | C85 | 110.1° | 108.4° |
| N83 | C84 | H84 | 109.3° | 109.7° |
| N83 | C84 | H84A | 109.3° | 109.7° |
| C85 | C84 | H84 | 109.3° | 109.7° |
| C85 | C84 | H84A | 109.2° | 109.7° |
| C84 | C85 | O86 | 108.3° | 109.3° |
| C84 | C85 | H85 | 109.9° | 109.5° |
| C84 | C85 | H85A | 109.8° | 109.5° |
| H84 | C84 | H84A | 109.7° | 109.7° |
| O86 | C85 | H85 | 109.9° | 109.5° |
| O86 | C85 | H85A | 109.9° | 109.5° |
| H85 | C85 | H85A | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C11 | C9 | 178.3° | 179.8° |
| C1 | C2 | C3 | C4 | 178.6° | 179.9° |
| C1 | C2 | C3 | H3 | 90.7° | 94.8° |
| C1 | C2 | C3 | H3A | 149.3° | 145.2° |
| C1 | C2 | C3 | H3B | 29.3° | 25.2° |
| C1 | C2 | C4 | N19 | 177.6° | 180.0° |
| C1 | C2 | C4 | C5 | 0.1° | 0.0° |
| C2 | C1 | C9 | C7 | 1.3° | 0.5° |
| C2 | C1 | C9 | H9 | 178.7° | 179.7° |
| C2 | C1 | C11 | C17 | 37.1° | 124.6° |
| C2 | C1 | C11 | N12 | 146.0° | 55.1° |
| C11 | C1 | C2 | C3 | 1.8° | 0.1° |
| C11 | C1 | C2 | C4 | 179.6° | 180.0° |
| C11 | C1 | C9 | C7 | 179.8° | 179.7° |
| C11 | C1 | C9 | H9 | 0.2° | 0.1° |
| C1 | C11 | C17 | N12 | 177.0° | 179.7° |
| C1 | C11 | N12 | C13 | 179.4° | 180.0° |
| C1 | C11 | C17 | N16 | 179.4° | 179.7° |
| C1 | C11 | C17 | H17 | 0.6° | 0.0° |
| C9 | C1 | C2 | C3 | 179.9° | 179.7° |
| C9 | C1 | C2 | C4 | 1.3° | 0.2° |
| C1 | C9 | C7 | C5 | 0.1° | 0.5° |
| C1 | C9 | C7 | H9 | 180.0° | 179.8° |
| C1 | C9 | C7 | H7 | 179.9° | 179.7° |
| C9 | C1 | C11 | C17 | 141.3° | 55.7° |
| C9 | C1 | C11 | N12 | 35.7° | 124.6° |
| C2 | C3 | H3 | H3A | 120.0° | 119.9° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C3 | C2 | C4 | N19 | 1.1° | 0.1° |
| C3 | C2 | C4 | C5 | 178.7° | 180.0° |
| C4 | C2 | C3 | H3 | 90.7° | 85.1° |
| C4 | C2 | C3 | H3A | 29.3° | 34.9° |
| C4 | C2 | C3 | H3B | 149.3° | 154.9° |
| C2 | C4 | N19 | C5 | 177.7° | 180.0° |
| C2 | C4 | C5 | C7 | 1.1° | 0.0° |
| C2 | C4 | C5 | H5 | 178.9° | 180.0° |
| C2 | C4 | N19 | C21 | 76.4° | 146.5° |
| C2 | C4 | N19 | HN19 | 103.6° | 33.5° |
| H3 | C3 | H3A | H3B | 120.0° | 120.1° |
| N19 | C4 | C5 | C7 | 178.7° | 180.0° |
| N19 | C4 | C5 | H5 | 1.3° | 0.0° |
| C4 | N19 | C21 | HN19 | 180.0° | 180.0° |
| C4 | N19 | C21 | C23 | 171.7° | 174.8° |
| C4 | N19 | C21 | O22 | 4.6° | 5.1° |
| C4 | C5 | C7 | H5 | 180.0° | 180.0° |
| C4 | C5 | C7 | C9 | 1.1° | 0.2° |
| C4 | C5 | C7 | H7 | 178.9° | 180.0° |
| C5 | C4 | N19 | C21 | 106.0° | 33.5° |
| C5 | C4 | N19 | HN19 | 74.0° | 146.5° |
| C5 | C7 | C9 | H7 | 180.0° | 179.8° |
| C5 | C7 | C9 | H9 | 179.9° | 179.7° |
| H5 | C5 | C7 | C9 | 178.9° | 179.7° |
| H5 | C5 | C7 | H7 | 1.1° | 0.1° |
| H7 | C7 | C9 | H9 | 0.1° | 0.1° |
| C17 | C11 | N12 | C13 | 2.4° | 0.3° |
| C11 | C17 | N16 | C14 | 1.8° | 0.5° |
| C11 | C17 | N16 | C60 | 178.6° | 179.7° |
| C11 | C17 | N16 | H17 | 180.0° | 179.7° |
| C11 | N12 | C13 | C14 | 1.8° | 0.0° |
| C11 | N12 | C13 | N47 | 179.7° | 180.0° |
| N12 | C11 | C17 | N16 | 2.4° | 0.6° |
| N12 | C11 | C17 | H17 | 177.6° | 179.7° |
| N12 | C13 | C14 | N47 | 178.5° | 180.0° |
| N12 | C13 | C14 | N16 | 1.1° | 0.0° |
| N12 | C13 | C14 | O15 | 179.3° | 180.0° |
| N12 | C13 | N47 | C46 | 0.3° | 5.6° |
| N12 | C13 | N47 | HN47 | 179.7° | 174.5° |
| C13 | C14 | N16 | O15 | 179.6° | 179.9° |
| C13 | C14 | N16 | C60 | 179.2° | 180.0° |
| C13 | C14 | N16 | C17 | 1.2° | 0.2° |
| C14 | C13 | N47 | C46 | 178.2° | 174.4° |
| C14 | C13 | N47 | HN47 | 1.8° | 5.6° |
| N47 | C13 | C14 | N16 | 179.7° | 180.0° |
| N47 | C13 | C14 | O15 | 0.7° | 0.1° |
| C13 | N47 | C46 | HN47 | 180.0° | 179.9° |
| C13 | N47 | C46 | C48 | 3.1° | 152.1° |
| C13 | N47 | C46 | C52 | 176.5° | 28.1° |
| C14 | N16 | C60 | C17 | 179.6° | 179.7° |
| C14 | N16 | C17 | H17 | 178.2° | 179.8° |
| C14 | N16 | C60 | H60 | 180.0° | 0.0° |
| C14 | N16 | C60 | H60A | 60.0° | 120.0° |
| C14 | N16 | C60 | H60B | 60.0° | 120.0° |
| O15 | C14 | N16 | C60 | 0.3° | 0.1° |
| O15 | C14 | N16 | C17 | 179.3° | 179.7° |
| C60 | N16 | C17 | H17 | 1.5° | 0.0° |
| N16 | C60 | H60 | H60A | 120.0° | 120.0° |
| N16 | C60 | H60 | H60B | 120.0° | 119.9° |
| N16 | C60 | H60A | H60B | 120.0° | 119.9° |
| C17 | N16 | C60 | H60 | 0.4° | 179.7° |
| C17 | N16 | C60 | H60A | 120.4° | 59.7° |
| C17 | N16 | C60 | H60B | 119.6° | 60.3° |
| N19 | C21 | C23 | O22 | 176.4° | 179.9° |
| N19 | C21 | C23 | C24 | 160.3° | 180.0° |
| N19 | C21 | C23 | C31 | 24.8° | 0.4° |
| HN19 | N19 | C21 | C23 | 8.3° | 5.3° |
| HN19 | N19 | C21 | O22 | 175.4° | 174.8° |
| C21 | C23 | C24 | C31 | 174.7° | 179.7° |
| C21 | C23 | C24 | C26 | 177.9° | 179.9° |
| C21 | C23 | C24 | H24 | 2.1° | 0.1° |
| C21 | C23 | C31 | C29 | 177.0° | 179.8° |
| C21 | C23 | C31 | H31 | 3.0° | 0.4° |
| O22 | C21 | C23 | C24 | 23.3° | 0.1° |
| O22 | C21 | C23 | C31 | 151.6° | 179.7° |
| C23 | C24 | C26 | H24 | 180.0° | 180.0° |
| C23 | C24 | C26 | C28 | 2.5° | 0.0° |
| C23 | C24 | C26 | H26 | 177.5° | 180.0° |
| C24 | C23 | C31 | C29 | 2.0° | 0.6° |
| C24 | C23 | C31 | H31 | 177.9° | 180.0° |
| C31 | C23 | C24 | C26 | 3.3° | 0.3° |
| C31 | C23 | C24 | H24 | 176.8° | 179.7° |
| C23 | C31 | C29 | C28 | 0.1° | 0.6° |
| C23 | C31 | C29 | H31 | 180.0° | 179.4° |
| C23 | C31 | C29 | H29 | 179.8° | 179.7° |
| C24 | C26 | C28 | H26 | 180.0° | 179.9° |
| C24 | C26 | C28 | C33 | 179.2° | 180.0° |
| C24 | C26 | C28 | C29 | 0.6° | 0.0° |
| H24 | C24 | C26 | C28 | 177.5° | 180.0° |
| H24 | C24 | C26 | H26 | 2.5° | 0.0° |
| C26 | C28 | C33 | C29 | 178.6° | 180.0° |
| C26 | C28 | C29 | C31 | 0.6° | 0.3° |
| C26 | C28 | C29 | H29 | 179.5° | 180.0° |
| C26 | C28 | C33 | C38 | 10.6° | 180.0° |
| C26 | C28 | C33 | C42 | 132.7° | 60.1° |
| C26 | C28 | C33 | C34 | 108.4° | 60.0° |
| H26 | C26 | C28 | C33 | 0.8° | 0.1° |
| H26 | C26 | C28 | C29 | 179.4° | 180.0° |
| C33 | C28 | C29 | C31 | 178.0° | 179.7° |
| C33 | C28 | C29 | H29 | 1.9° | 0.0° |
| C28 | C33 | C38 | C42 | 124.0° | 120.0° |
| C28 | C33 | C38 | C34 | 118.8° | 120.0° |
| C28 | C33 | C42 | C34 | 118.9° | 120.0° |
| C28 | C33 | C34 | H34 | 180.0° | 60.0° |
| C28 | C33 | C34 | H34A | 60.0° | 180.0° |
| C28 | C33 | C34 | H34B | 60.0° | 60.0° |
| C28 | C33 | C38 | H38 | 180.0° | 60.0° |
| C28 | C33 | C38 | H38A | 60.0° | 180.0° |
| C28 | C33 | C38 | H38B | 60.0° | 60.0° |
| C28 | C33 | C42 | H42 | 180.0° | 60.0° |
| C28 | C33 | C42 | H42A | 60.0° | 180.0° |
| C28 | C33 | C42 | H42B | 60.0° | 60.0° |
| C28 | C29 | C31 | H29 | 180.0° | 179.7° |
| C28 | C29 | C31 | H31 | 179.8° | 180.0° |
| C29 | C28 | C33 | C38 | 170.8° | 0.0° |
| C29 | C28 | C33 | C42 | 48.7° | 120.0° |
| C29 | C28 | C33 | C34 | 70.2° | 120.0° |
| H29 | C29 | C31 | H31 | 0.2° | 0.3° |
| C38 | C33 | C42 | C34 | 117.6° | 120.0° |
| C38 | C33 | C34 | H34 | 59.3° | 60.0° |
| C38 | C33 | C34 | H34A | 60.7° | 60.0° |
| C38 | C33 | C34 | H34B | 179.3° | 180.0° |
| C33 | C38 | H38 | H38A | 120.0° | 120.0° |
| C33 | C38 | H38 | H38B | 120.0° | 120.0° |
| C33 | C38 | H38A | H38B | 120.0° | 120.0° |
| C38 | C33 | C42 | H42 | 56.5° | 180.0° |
| C38 | C33 | C42 | H42A | 176.6° | 60.0° |
| C38 | C33 | C42 | H42B | 63.4° | 60.0° |
| C42 | C33 | C34 | H34 | 58.6° | 180.0° |
| C42 | C33 | C34 | H34A | 178.6° | 60.0° |
| C42 | C33 | C34 | H34B | 61.4° | 60.0° |
| C42 | C33 | C38 | H38 | 56.0° | 60.0° |
| C42 | C33 | C38 | H38A | 64.0° | 60.0° |
| C42 | C33 | C38 | H38B | 176.0° | 179.9° |
| C33 | C42 | H42 | H42A | 120.0° | 120.0° |
| C33 | C42 | H42 | H42B | 120.0° | 120.0° |
| C33 | C42 | H42A | H42B | 120.0° | 120.0° |
| C33 | C34 | H34 | H34A | 120.0° | 120.0° |
| C33 | C34 | H34 | H34B | 120.0° | 120.1° |
| C33 | C34 | H34A | H34B | 120.0° | 120.0° |
| C34 | C33 | C38 | H38 | 61.2° | 180.0° |
| C34 | C33 | C38 | H38A | 178.8° | 60.0° |
| C34 | C33 | C38 | H38B | 58.8° | 60.0° |
| C34 | C33 | C42 | H42 | 61.1° | 60.0° |
| C34 | C33 | C42 | H42A | 59.0° | 60.0° |
| C34 | C33 | C42 | H42B | 179.0° | 180.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
| H42 | C42 | H42A | H42B | 120.0° | 120.0° |
| N47 | C46 | C48 | C52 | 179.6° | 179.8° |
| N47 | C46 | C48 | C49 | 178.5° | 179.7° |
| N47 | C46 | C48 | H48 | 1.5° | 0.2° |
| N47 | C46 | C52 | C51 | 179.2° | 179.8° |
| N47 | C46 | C52 | H52 | 0.8° | 0.3° |
| C48 | C46 | N47 | HN47 | 177.0° | 28.0° |
| C46 | C48 | C49 | H48 | 180.0° | 179.9° |
| C46 | C48 | C49 | C50 | 1.0° | 0.1° |
| C46 | C48 | C49 | H49 | 179.0° | 180.0° |
| C48 | C46 | C52 | C51 | 1.2° | 0.0° |
| C48 | C46 | C52 | H52 | 178.8° | 179.9° |
| C52 | C46 | N47 | HN47 | 3.4° | 151.9° |
| C52 | C46 | C48 | C49 | 1.9° | 0.1° |
| C52 | C46 | C48 | H48 | 178.1° | 180.0° |
| C46 | C52 | C51 | C50 | 0.5° | 0.0° |
| C46 | C52 | C51 | H52 | 180.0° | 179.9° |
| C46 | C52 | C51 | H51 | 179.5° | 180.0° |
| C48 | C49 | C50 | H49 | 180.0° | 179.9° |
| C48 | C49 | C50 | C51 | 0.7° | 0.0° |
| C48 | C49 | C50 | C71 | 179.7° | 180.0° |
| H48 | C48 | C49 | C50 | 179.0° | 180.0° |
| H48 | C48 | C49 | H49 | 1.0° | 0.1° |
| C49 | C50 | C51 | C71 | 179.6° | 180.0° |
| C49 | C50 | C51 | C52 | 1.4° | 0.1° |
| C49 | C50 | C51 | H51 | 178.6° | 180.0° |
| C49 | C50 | C71 | O72 | 47.4° | 139.7° |
| C49 | C50 | C71 | N83 | 131.7° | 40.3° |
| H49 | C49 | C50 | C51 | 179.3° | 179.9° |
| H49 | C49 | C50 | C71 | 0.3° | 0.0° |
| C50 | C51 | C52 | H51 | 180.0° | 179.9° |
| C50 | C51 | C52 | H52 | 179.5° | 180.0° |
| C51 | C50 | C71 | O72 | 132.2° | 40.3° |
| C51 | C50 | C71 | N83 | 48.7° | 139.7° |
| C71 | C50 | C51 | C52 | 179.0° | 180.0° |
| C71 | C50 | C51 | H51 | 1.0° | 0.1° |
| C50 | C71 | O72 | N83 | 179.1° | 180.0° |
| C50 | C71 | N83 | C82 | 179.4° | 4.4° |
| C50 | C71 | N83 | C84 | 1.9° | 175.6° |
| H51 | C51 | C52 | H52 | 0.5° | 0.1° |
| H60 | C60 | H60A | H60B | 120.0° | 120.1° |
| O72 | C71 | N83 | C82 | 0.3° | 175.6° |
| O72 | C71 | N83 | C84 | 177.2° | 4.4° |
| C71 | N83 | C82 | C81 | 130.5° | 129.5° |
| C71 | N83 | C82 | C84 | 177.6° | 180.0° |
| C71 | N83 | C82 | H82 | 10.5° | 110.8° |
| C71 | N83 | C82 | H82A | 109.5° | 9.7° |
| C71 | N83 | C84 | C85 | 132.8° | 129.5° |
| C71 | N83 | C84 | H84 | 12.8° | 110.8° |
| C71 | N83 | C84 | H84A | 107.2° | 9.7° |
| C82 | C81 | O86 | H81 | 120.0° | 119.9° |
| C82 | C81 | O86 | H81A | 120.0° | 120.0° |
| C82 | C81 | H81 | H81A | 120.5° | 120.1° |
| C81 | C82 | N83 | H82 | 120.0° | 119.7° |
| C81 | C82 | N83 | H82A | 120.0° | 119.8° |
| C81 | C82 | H82 | H82A | 121.0° | 120.5° |
| C81 | C82 | N83 | C84 | 51.9° | 50.5° |
| C82 | C81 | O86 | C85 | 69.1° | 62.5° |
| O86 | C81 | H81 | H81A | 120.4° | 120.1° |
| O86 | C81 | C82 | N83 | 58.9° | 52.3° |
| O86 | C81 | C82 | H82 | 178.9° | 67.4° |
| O86 | C81 | C82 | H82A | 61.1° | 172.1° |
| C81 | O86 | C85 | C84 | 64.7° | 62.6° |
| C81 | O86 | C85 | H85 | 55.3° | 177.5° |
| C81 | O86 | C85 | H85A | 175.3° | 57.4° |
| H81 | C81 | C82 | N83 | 178.9° | 67.6° |
| H81 | C81 | C82 | H82 | 61.1° | 172.7° |
| H81 | C81 | C82 | H82A | 58.9° | 52.2° |
| H81 | C81 | O86 | C85 | 171.0° | 57.4° |
| H81A | C81 | C82 | N83 | 61.1° | 172.3° |
| H81A | C81 | C82 | H82 | 58.9° | 52.5° |
| H81A | C81 | C82 | H82A | 178.9° | 68.0° |
| H81A | C81 | O86 | C85 | 50.9° | 177.5° |
| N83 | C82 | H82 | H82A | 121.1° | 120.6° |
| C82 | N83 | C84 | C85 | 49.6° | 50.5° |
| C82 | N83 | C84 | H84 | 169.6° | 69.2° |
| C82 | N83 | C84 | H84A | 70.3° | 170.3° |
| H82 | C82 | N83 | C84 | 171.9° | 69.2° |
| H82A | C82 | N83 | C84 | 68.1° | 170.3° |
| N83 | C84 | C85 | H84 | 120.0° | 119.7° |
| N83 | C84 | C85 | H84A | 120.0° | 119.7° |
| N83 | C84 | H84 | H84A | 119.8° | 120.5° |
| N83 | C84 | C85 | O86 | 52.6° | 52.3° |
| N83 | C84 | C85 | H85 | 67.4° | 172.3° |
| N83 | C84 | C85 | H85A | 172.6° | 67.6° |
| C85 | C84 | H84 | H84A | 119.7° | 120.5° |
| C84 | C85 | O86 | H85 | 120.0° | 120.0° |
| C84 | C85 | O86 | H85A | 120.0° | 120.0° |
| C84 | C85 | H85 | H85A | 120.5° | 120.1° |
| H84 | C84 | C85 | O86 | 172.6° | 67.4° |
| H84 | C84 | C85 | H85 | 52.6° | 52.5° |
| H84 | C84 | C85 | H85A | 67.4° | 172.7° |
| H84A | C84 | C85 | O86 | 67.4° | 172.1° |
| H84A | C84 | C85 | H85 | 172.6° | 68.0° |
| H84A | C84 | C85 | H85A | 52.6° | 52.1° |
| O86 | C85 | H85 | H85A | 120.5° | 120.1° |
