X53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | N9 | sing | 1.38Å | 1.34Å | |
| C7 | C3 | sing | 1.49Å | 1.32Å | |
| C7 | N16 | sing | 1.35Å | 1.32Å | Aromatic |
| C7 | N19 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | C14 | sing | 1.54Å | 1.49Å | |
| C8 | N9 | sing | 1.48Å | 1.46Å | |
| C10 | C15 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.54Å | 1.48Å | |
| C10 | N9 | sing | 1.45Å | 1.46Å | |
| N12 | C13 | sing | 1.48Å | 1.47Å | |
| N12 | C28 | sing | 1.47Å | 1.46Å | |
| N12 | C11 | sing | 1.40Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C17 | C35 | sing | 1.51Å | 1.37Å | |
| C17 | N16 | doub | 1.31Å | 1.32Å | Aromatic |
| C17 | O18 | sing | 1.34Å | 1.31Å | Aromatic |
| C20 | C21 | doub | 1.34Å | 1.34Å | Aromatic |
| C20 | C22 | sing | 1.45Å | 1.34Å | Aromatic |
| C20 | C35 | sing | 1.52Å | 1.41Å | |
| C21 | C32 | sing | 1.52Å | 1.37Å | |
| C21 | S24 | sing | 1.76Å | 1.58Å | Aromatic |
| C22 | C23 | doub | 1.37Å | 1.32Å | Aromatic |
| C22 | C25 | sing | 1.43Å | 1.36Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | N6 | doub | 1.32Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | N26 | sing | 1.38Å | 1.32Å | |
| C23 | S24 | sing | 1.70Å | 1.53Å | Aromatic |
| C25 | N27 | trip | 1.14Å | 1.05Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C3 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | O37 | sing | 1.43Å | 1.41Å | |
| C32 | C33 | sing | 1.53Å | 1.47Å | |
| C33 | C34 | sing | 1.53Å | 1.47Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C38 | C42 | sing | 1.42Å | 1.31Å | Aromatic |
| C38 | N39 | doub | 1.31Å | 1.32Å | Aromatic |
| C38 | O37 | sing | 1.36Å | 1.35Å | |
| C41 | C42 | doub | 1.35Å | 1.32Å | Aromatic |
| C41 | C43 | sing | 1.51Å | 1.53Å | |
| C41 | O40 | sing | 1.34Å | 1.30Å | Aromatic |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.55Å | |
| C44 | N48 | sing | 1.35Å | 1.33Å | |
| C44 | O49 | doub | 1.21Å | 1.23Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.54Å | 1.51Å | |
| C50 | C54 | sing | 1.51Å | 1.37Å | |
| C50 | N48 | sing | 1.47Å | 1.48Å | |
| C51 | C52 | sing | 1.55Å | 1.50Å | |
| C52 | C53 | sing | 1.55Å | 1.50Å | |
| C52 | O55 | sing | 1.43Å | 1.43Å | |
| C53 | N48 | sing | 1.47Å | 1.46Å | |
| C54 | N56 | sing | 1.35Å | 1.32Å | |
| C54 | O57 | doub | 1.21Å | 1.22Å | |
| C58 | C59 | sing | 1.51Å | 1.39Å | |
| C58 | N56 | sing | 1.47Å | 1.45Å | |
| C59 | C60 | doub | 1.38Å | 1.39Å | Aromatic |
| C59 | C64 | sing | 1.38Å | 1.38Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.39Å | Aromatic |
| C61 | C62 | doub | 1.40Å | 1.38Å | Aromatic |
| C62 | C63 | sing | 1.40Å | 1.38Å | Aromatic |
| C62 | C65 | sing | 1.48Å | 1.33Å | |
| C63 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C65 | C66 | doub | 1.35Å | 1.33Å | Aromatic |
| C65 | S69 | sing | 1.76Å | 1.56Å | Aromatic |
| C66 | C70 | sing | 1.51Å | 1.52Å | |
| C66 | N67 | sing | 1.31Å | 1.33Å | Aromatic |
| C68 | N67 | doub | 1.29Å | 1.33Å | Aromatic |
| C68 | S69 | sing | 1.71Å | 1.62Å | Aromatic |
| N19 | O18 | sing | 1.21Å | 1.34Å | Aromatic |
| N39 | O40 | sing | 1.21Å | 1.34Å | Aromatic |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H84 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H86 | sing | 1.09Å | 1.10Å | |
| C15 | H87 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H88 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H83 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H85 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H89 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H9A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H9B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H9C | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H9D | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H9E | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H9F | sing | 1.09Å | 1.10Å | |
| C36 | H9G | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H9H | sing | 1.09Å | 1.10Å | |
| C46 | H9I | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H9J | sing | 1.09Å | 1.10Å | |
| C47 | H9K | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H9L | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C53 | H9M | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C58 | H9N | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C68 | H68 | sing | 1.08Å | 1.08Å | |
| C70 | H9P | sing | 1.09Å | 1.10Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| C70 | H9O | sing | 1.09Å | 1.10Å | |
| N26 | H9Q | sing | 0.97Å | 1.00Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| N56 | H56 | sing | 0.97Å | 1.00Å | |
| O55 | H55 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C5 | N6 | 120.5° | 121.7° |
| N4 | C5 | N9 | 120.9° | 119.2° |
| C5 | N4 | C3 | 121.3° | 120.7° |
| N6 | C5 | N9 | 118.6° | 119.1° |
| C5 | N6 | C1 | 120.6° | 120.9° |
| C5 | N9 | C8 | 117.6° | 111.0° |
| C5 | N9 | C10 | 119.5° | 111.0° |
| C3 | C7 | N16 | 125.0° | 126.4° |
| C3 | C7 | N19 | 124.2° | 126.3° |
| C7 | C3 | C2 | 119.4° | 120.5° |
| C7 | C3 | N4 | 120.4° | 120.5° |
| N16 | C7 | N19 | 110.8° | 107.2° |
| C7 | N16 | C17 | 105.1° | 105.6° |
| C7 | N19 | O18 | 106.0° | 110.1° |
| C14 | C8 | N9 | 107.9° | 112.5° |
| C8 | C14 | C13 | 108.8° | 112.1° |
| C14 | C8 | H82 | 109.9° | 108.8° |
| C14 | C8 | H81 | 109.9° | 108.9° |
| C8 | C14 | H14 | 109.6° | 108.9° |
| C8 | C14 | H85 | 109.7° | 109.0° |
| C8 | N9 | C10 | 122.7° | 113.9° |
| N9 | C8 | H82 | 109.9° | 108.9° |
| N9 | C8 | H81 | 109.9° | 108.9° |
| C15 | C10 | C11 | 107.7° | 109.6° |
| C15 | C10 | N9 | 108.9° | 109.6° |
| C15 | C10 | H10 | 109.7° | 109.6° |
| C10 | C15 | H15 | 109.5° | 109.5° |
| C10 | C15 | H86 | 109.5° | 109.5° |
| C10 | C15 | H87 | 109.4° | 109.4° |
| C11 | C10 | N9 | 110.1° | 108.9° |
| C10 | C11 | N12 | 111.4° | 112.1° |
| C11 | C10 | H10 | 110.0° | 109.6° |
| C10 | C11 | H11 | 109.0° | 109.0° |
| C10 | C11 | H83 | 109.0° | 108.9° |
| N9 | C10 | H10 | 110.3° | 109.5° |
| C13 | N12 | C28 | 108.1° | 111.0° |
| C13 | N12 | C11 | 110.6° | 114.1° |
| N12 | C13 | C14 | 112.3° | 108.5° |
| N12 | C13 | H13 | 108.7° | 109.6° |
| N12 | C13 | H84 | 108.8° | 109.6° |
| C28 | N12 | C11 | 107.2° | 111.0° |
| N12 | C28 | C29 | 111.1° | 109.5° |
| N12 | C28 | H28 | 109.1° | 109.4° |
| N12 | C28 | H88 | 109.0° | 109.4° |
| N12 | C11 | H11 | 109.0° | 109.0° |
| N12 | C11 | H83 | 109.0° | 108.9° |
| C14 | C13 | H13 | 108.8° | 109.7° |
| C14 | C13 | H84 | 108.7° | 109.6° |
| C13 | C14 | H14 | 109.6° | 109.0° |
| C13 | C14 | H85 | 109.6° | 109.0° |
| C35 | C17 | N16 | 124.8° | 126.4° |
| C35 | C17 | O18 | 124.4° | 126.4° |
| C17 | C35 | C20 | 111.6° | 109.6° |
| C17 | C35 | C34 | 106.2° | 109.3° |
| C17 | C35 | C36 | 109.9° | 109.6° |
| N16 | C17 | O18 | 110.8° | 107.2° |
| C17 | O18 | N19 | 107.3° | 110.0° |
| C21 | C20 | C22 | 109.6° | 112.4° |
| C21 | C20 | C35 | 121.6° | 123.5° |
| C20 | C21 | C32 | 123.0° | 124.3° |
| C20 | C21 | S24 | 108.2° | 110.8° |
| C22 | C20 | C35 | 128.7° | 124.1° |
| C20 | C22 | C23 | 115.5° | 113.4° |
| C20 | C22 | C25 | 124.8° | 123.3° |
| C20 | C35 | C34 | 113.3° | 108.7° |
| C20 | C35 | C36 | 107.8° | 109.6° |
| C32 | C21 | S24 | 128.8° | 124.9° |
| C21 | C32 | C33 | 108.6° | 108.7° |
| C21 | C32 | H32 | 109.7° | 109.6° |
| C21 | C32 | H9C | 109.7° | 109.6° |
| C21 | S24 | C23 | 98.8° | 92.8° |
| C23 | C22 | C25 | 119.7° | 123.3° |
| C22 | C23 | N26 | 129.0° | 124.7° |
| C22 | C23 | S24 | 107.8° | 110.7° |
| C22 | C25 | N27 | 179.1° | 179.9° |
| C28 | C29 | C30 | 109.4° | 109.5° |
| C29 | C28 | H28 | 109.0° | 109.5° |
| C29 | C28 | H88 | 109.1° | 109.4° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H89 | 109.5° | 109.4° |
| C2 | C1 | N6 | 118.6° | 119.3° |
| C1 | C2 | C3 | 118.8° | 118.4° |
| C2 | C1 | H1 | 120.7° | 120.3° |
| C1 | C2 | H2 | 120.6° | 120.8° |
| N6 | C1 | H1 | 120.7° | 120.4° |
| C2 | C3 | N4 | 120.2° | 119.0° |
| C3 | C2 | H2 | 120.6° | 120.8° |
| N26 | C23 | S24 | 123.2° | 124.6° |
| C23 | N26 | H9Q | 109.5° | 120.0° |
| C23 | N26 | H26 | 109.5° | 120.0° |
| C29 | C30 | C31 | 109.4° | 109.5° |
| C30 | C29 | H29 | 109.5° | 109.5° |
| C30 | C29 | H89 | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H9A | 109.5° | 109.5° |
| C30 | C31 | O37 | 108.0° | 109.5° |
| C31 | C30 | H30 | 109.5° | 109.5° |
| C31 | C30 | H9A | 109.5° | 109.4° |
| C30 | C31 | H31 | 109.8° | 109.5° |
| C30 | C31 | H9B | 109.8° | 109.4° |
| C31 | O37 | C38 | 112.8° | 117.0° |
| O37 | C31 | H31 | 109.8° | 109.5° |
| O37 | C31 | H9B | 109.8° | 109.4° |
| C32 | C33 | C34 | 105.8° | 109.1° |
| C33 | C32 | H32 | 109.7° | 109.6° |
| C33 | C32 | H9C | 109.7° | 109.6° |
| C32 | C33 | H33 | 110.4° | 109.6° |
| C32 | C33 | H9D | 110.4° | 109.5° |
| C33 | C34 | C35 | 109.5° | 109.1° |
| C34 | C33 | H33 | 110.4° | 109.5° |
| C34 | C33 | H9D | 110.4° | 109.5° |
| C33 | C34 | H34 | 109.5° | 109.5° |
| C33 | C34 | H9E | 109.5° | 109.6° |
| C34 | C35 | C36 | 108.1° | 110.0° |
| C35 | C34 | H34 | 109.4° | 109.7° |
| C35 | C34 | H9E | 109.5° | 109.5° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C35 | C36 | H9F | 109.5° | 109.5° |
| C35 | C36 | H9G | 109.5° | 109.5° |
| C42 | C38 | N39 | 109.9° | 106.2° |
| C42 | C38 | O37 | 123.0° | 126.8° |
| C38 | C42 | C41 | 106.3° | 103.9° |
| C38 | C42 | H42 | 126.9° | 128.1° |
| N39 | C38 | O37 | 127.0° | 126.9° |
| C38 | N39 | O40 | 106.0° | 111.5° |
| C42 | C41 | C43 | 126.3° | 126.7° |
| C42 | C41 | O40 | 109.7° | 106.6° |
| C41 | C42 | H42 | 126.8° | 128.0° |
| C43 | C41 | O40 | 124.0° | 126.7° |
| C41 | C43 | C44 | 107.2° | 109.4° |
| C41 | C43 | C45 | 111.9° | 109.5° |
| C41 | C43 | H43 | 108.4° | 109.5° |
| C41 | O40 | N39 | 108.1° | 111.7° |
| C44 | C43 | C45 | 112.4° | 109.5° |
| C43 | C44 | N48 | 117.0° | 120.0° |
| C43 | C44 | O49 | 120.8° | 120.0° |
| C44 | C43 | H43 | 108.5° | 109.5° |
| C43 | C45 | C46 | 109.4° | 109.5° |
| C43 | C45 | C47 | 113.8° | 109.5° |
| C45 | C43 | H43 | 108.3° | 109.5° |
| C43 | C45 | H45 | 108.9° | 109.5° |
| N48 | C44 | O49 | 122.2° | 120.0° |
| C44 | N48 | C50 | 119.5° | 125.6° |
| C44 | N48 | C53 | 133.2° | 125.7° |
| C46 | C45 | C47 | 106.0° | 109.5° |
| C46 | C45 | H45 | 109.3° | 109.5° |
| C45 | C46 | H46 | 109.5° | 109.5° |
| C45 | C46 | H9H | 109.5° | 109.5° |
| C45 | C46 | H9I | 109.5° | 109.4° |
| C47 | C45 | H45 | 109.3° | 109.5° |
| C45 | C47 | H47 | 109.5° | 109.5° |
| C45 | C47 | H9J | 109.5° | 109.5° |
| C45 | C47 | H9K | 109.5° | 109.5° |
| C51 | C50 | C54 | 105.8° | 109.9° |
| C51 | C50 | N48 | 105.8° | 107.3° |
| C50 | C51 | C52 | 104.8° | 102.9° |
| C51 | C50 | H50 | 109.9° | 109.9° |
| C50 | C51 | H51 | 110.6° | 110.8° |
| C50 | C51 | H9L | 110.6° | 110.7° |
| C54 | C50 | N48 | 112.5° | 109.9° |
| C50 | C54 | N56 | 113.2° | 120.0° |
| C50 | C54 | O57 | 121.8° | 120.0° |
| C54 | C50 | H50 | 112.1° | 109.9° |
| C50 | N48 | C53 | 107.3° | 108.7° |
| N48 | C50 | H50 | 110.5° | 110.0° |
| C51 | C52 | C53 | 102.4° | 101.6° |
| C51 | C52 | O55 | 109.0° | 111.0° |
| C52 | C51 | H51 | 110.6° | 110.7° |
| C52 | C51 | H9L | 110.6° | 110.7° |
| C51 | C52 | H52 | 111.3° | 111.0° |
| C53 | C52 | O55 | 109.8° | 111.0° |
| C52 | C53 | N48 | 103.6° | 104.8° |
| C53 | C52 | H52 | 111.4° | 111.0° |
| C52 | C53 | H9M | 110.9° | 110.4° |
| C52 | C53 | H53 | 110.9° | 110.4° |
| O55 | C52 | H52 | 112.5° | 110.9° |
| C52 | O55 | H55 | 109.5° | 114.0° |
| N48 | C53 | H9M | 110.9° | 110.3° |
| N48 | C53 | H53 | 110.9° | 110.4° |
| N56 | C54 | O57 | 124.9° | 120.0° |
| C54 | N56 | C58 | 122.4° | 120.0° |
| C54 | N56 | H56 | 118.8° | 120.0° |
| C59 | C58 | N56 | 110.3° | 109.5° |
| C58 | C59 | C60 | 123.5° | 119.9° |
| C58 | C59 | C64 | 117.4° | 119.9° |
| C59 | C58 | H9N | 109.3° | 109.5° |
| C59 | C58 | H58 | 109.3° | 109.5° |
| N56 | C58 | H9N | 109.3° | 109.4° |
| N56 | C58 | H58 | 109.3° | 109.5° |
| C58 | N56 | H56 | 118.8° | 120.0° |
| C60 | C59 | C64 | 119.2° | 120.3° |
| C59 | C60 | C61 | 120.1° | 120.1° |
| C59 | C60 | H60 | 120.0° | 119.9° |
| C59 | C64 | C63 | 120.6° | 120.2° |
| C59 | C64 | H64 | 119.7° | 119.9° |
| C60 | C61 | C62 | 120.5° | 119.9° |
| C61 | C60 | H60 | 120.0° | 120.0° |
| C60 | C61 | H61 | 119.7° | 120.1° |
| C61 | C62 | C63 | 119.0° | 119.7° |
| C61 | C62 | C65 | 120.5° | 120.2° |
| C62 | C61 | H61 | 119.8° | 120.0° |
| C63 | C62 | C65 | 120.5° | 120.1° |
| C62 | C63 | C64 | 120.6° | 119.8° |
| C62 | C63 | H63 | 119.7° | 120.1° |
| C62 | C65 | C66 | 126.8° | 126.1° |
| C62 | C65 | S69 | 125.2° | 126.1° |
| C64 | C63 | H63 | 119.7° | 120.1° |
| C63 | C64 | H64 | 119.7° | 120.0° |
| C66 | C65 | S69 | 108.0° | 107.8° |
| C65 | C66 | C70 | 124.9° | 122.9° |
| C65 | C66 | N67 | 114.3° | 114.2° |
| C65 | S69 | C68 | 97.6° | 90.3° |
| C70 | C66 | N67 | 120.8° | 122.9° |
| C66 | C70 | H9P | 109.5° | 109.5° |
| C66 | C70 | H70 | 109.5° | 109.4° |
| C66 | C70 | H9O | 109.4° | 109.5° |
| C66 | N67 | C68 | 112.8° | 117.3° |
| N67 | C68 | S69 | 107.3° | 110.3° |
| N67 | C68 | H68 | 126.4° | 124.8° |
| S69 | C68 | H68 | 126.3° | 124.8° |
| H82 | C8 | H81 | 109.5° | 108.8° |
| H13 | C13 | H84 | 109.4° | 109.8° |
| H15 | C15 | H86 | 109.5° | 109.5° |
| H15 | C15 | H87 | 109.5° | 109.5° |
| H86 | C15 | H87 | 109.5° | 109.5° |
| H28 | C28 | H88 | 109.5° | 109.5° |
| H11 | C11 | H83 | 109.5° | 108.9° |
| H14 | C14 | H85 | 109.5° | 108.8° |
| H29 | C29 | H89 | 109.5° | 109.4° |
| H30 | C30 | H9A | 109.5° | 109.4° |
| H31 | C31 | H9B | 109.5° | 109.5° |
| H32 | C32 | H9C | 109.5° | 109.7° |
| H33 | C33 | H9D | 109.5° | 109.6° |
| H34 | C34 | H9E | 109.4° | 109.6° |
| H36 | C36 | H9F | 109.5° | 109.4° |
| H36 | C36 | H9G | 109.5° | 109.5° |
| H9F | C36 | H9G | 109.5° | 109.4° |
| H46 | C46 | H9H | 109.4° | 109.5° |
| H46 | C46 | H9I | 109.5° | 109.5° |
| H9H | C46 | H9I | 109.5° | 109.5° |
| H47 | C47 | H9J | 109.4° | 109.5° |
| H47 | C47 | H9K | 109.5° | 109.5° |
| H9J | C47 | H9K | 109.4° | 109.4° |
| H51 | C51 | H9L | 109.5° | 110.8° |
| H9M | C53 | H53 | 109.5° | 110.4° |
| H9N | C58 | H58 | 109.5° | 109.5° |
| H9P | C70 | H70 | 109.4° | 109.5° |
| H9P | C70 | H9O | 109.5° | 109.5° |
| H70 | C70 | H9O | 109.5° | 109.5° |
| H9Q | N26 | H26 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C5 | N6 | N9 | 179.3° | 179.7° |
| C5 | N4 | C3 | C7 | 179.1° | 180.0° |
| N4 | C5 | N9 | C8 | 174.0° | 54.6° |
| N4 | C5 | N9 | C10 | 10.0° | 73.2° |
| N4 | C5 | N6 | C1 | 0.2° | 0.1° |
| C5 | N4 | C3 | C2 | 0.7° | 0.1° |
| N6 | C5 | N9 | C8 | 6.7° | 125.1° |
| N6 | C5 | N9 | C10 | 169.3° | 107.1° |
| C5 | N6 | C1 | C2 | 0.2° | 0.1° |
| N6 | C5 | N4 | C3 | 0.4° | 0.1° |
| C5 | N6 | C1 | H1 | 179.8° | 179.9° |
| C5 | N9 | C8 | C14 | 84.0° | 167.8° |
| C5 | N9 | C8 | C10 | 175.9° | 126.2° |
| C5 | N9 | C10 | C15 | 103.0° | 19.8° |
| C5 | N9 | C10 | C11 | 139.1° | 139.7° |
| N9 | C5 | N6 | C1 | 179.5° | 179.7° |
| N9 | C5 | N4 | C3 | 179.7° | 179.8° |
| C5 | N9 | C8 | H82 | 35.8° | 47.1° |
| C5 | N9 | C8 | H81 | 156.3° | 71.4° |
| C5 | N9 | C10 | H10 | 17.4° | 100.4° |
| C3 | C7 | N16 | N19 | 178.1° | 179.7° |
| C3 | C7 | N16 | C17 | 178.3° | 180.0° |
| C7 | C3 | C2 | C1 | 179.2° | 180.0° |
| C7 | C3 | C2 | N4 | 178.4° | 179.9° |
| C3 | C7 | N19 | O18 | 178.8° | 179.9° |
| C7 | C3 | C2 | H2 | 0.8° | 0.1° |
| C7 | N16 | C17 | C35 | 178.8° | 180.0° |
| C7 | N16 | C17 | O18 | 0.4° | 0.2° |
| N16 | C7 | C3 | C2 | 22.1° | 0.1° |
| N16 | C7 | C3 | N4 | 159.5° | 180.0° |
| N16 | C7 | N19 | O18 | 0.6° | 0.2° |
| N19 | C7 | N16 | C17 | 0.1° | 0.2° |
| C7 | N19 | O18 | C17 | 0.9° | 0.1° |
| N19 | C7 | C3 | C2 | 155.7° | 179.7° |
| N19 | C7 | C3 | N4 | 22.6° | 0.4° |
| C14 | C8 | N9 | H82 | 119.8° | 120.7° |
| C14 | C8 | N9 | H81 | 119.7° | 120.8° |
| C14 | C8 | N9 | C10 | 91.9° | 41.6° |
| C8 | C14 | C13 | N12 | 64.7° | 92.5° |
| C8 | C14 | C13 | H14 | 119.9° | 120.7° |
| C8 | C14 | C13 | H85 | 119.9° | 120.7° |
| C14 | C8 | H82 | H81 | 120.7° | 118.6° |
| C8 | C14 | C13 | H13 | 174.8° | 147.7° |
| C8 | C14 | C13 | H84 | 55.7° | 27.1° |
| C8 | C14 | H14 | H85 | 120.3° | 118.7° |
| C8 | N9 | C10 | C15 | 81.1° | 146.0° |
| C8 | N9 | C10 | C11 | 36.8° | 94.1° |
| N9 | C8 | C14 | C13 | 75.9° | 41.5° |
| N9 | C8 | H82 | H81 | 120.7° | 118.5° |
| C8 | N9 | C10 | H10 | 158.4° | 25.7° |
| N9 | C8 | C14 | H14 | 164.2° | 162.2° |
| N9 | C8 | C14 | H85 | 44.0° | 79.2° |
| C15 | C10 | C11 | N9 | 118.7° | 119.9° |
| C15 | C10 | C11 | H10 | 119.5° | 120.3° |
| C15 | C10 | N9 | H10 | 120.4° | 120.2° |
| C15 | C10 | C11 | N12 | 164.3° | 161.4° |
| C10 | C15 | H15 | H86 | 120.0° | 120.0° |
| C10 | C15 | H15 | H87 | 120.0° | 119.9° |
| C10 | C15 | H86 | H87 | 120.0° | 120.0° |
| C15 | C10 | C11 | H11 | 75.5° | 40.6° |
| C15 | C10 | C11 | H83 | 44.0° | 78.0° |
| C11 | C10 | N9 | H10 | 121.6° | 119.9° |
| C10 | C11 | N12 | C13 | 95.6° | 61.7° |
| C10 | C11 | N12 | C28 | 146.7° | 171.9° |
| C10 | C11 | N12 | H11 | 120.3° | 120.7° |
| C10 | C11 | N12 | H83 | 120.3° | 120.6° |
| C11 | C10 | C15 | H15 | 180.0° | 58.7° |
| C11 | C10 | C15 | H86 | 60.0° | 178.7° |
| C11 | C10 | C15 | H87 | 60.0° | 61.3° |
| C10 | C11 | H11 | H83 | 119.1° | 118.7° |
| N9 | C10 | C11 | N12 | 45.6° | 78.7° |
| C10 | N9 | C8 | H82 | 148.3° | 79.1° |
| C10 | N9 | C8 | H81 | 27.8° | 162.5° |
| N9 | C10 | C15 | H15 | 60.6° | 178.1° |
| N9 | C10 | C15 | H86 | 59.4° | 61.8° |
| N9 | C10 | C15 | H87 | 179.4° | 58.2° |
| N9 | C10 | C11 | H11 | 165.9° | 160.5° |
| N9 | C10 | C11 | H83 | 74.7° | 41.9° |
| C13 | N12 | C28 | C11 | 119.3° | 128.0° |
| N12 | C13 | C14 | H13 | 120.4° | 119.7° |
| N12 | C13 | C14 | H84 | 120.5° | 119.6° |
| C13 | N12 | C28 | C29 | 160.2° | 66.0° |
| N12 | C13 | H13 | H84 | 118.7° | 120.4° |
| C13 | N12 | C28 | H28 | 79.6° | 174.0° |
| C13 | N12 | C28 | H88 | 39.9° | 54.0° |
| C13 | N12 | C11 | H11 | 144.1° | 177.5° |
| C13 | N12 | C11 | H83 | 24.7° | 58.9° |
| N12 | C13 | C14 | H14 | 175.4° | 146.8° |
| N12 | C13 | C14 | H85 | 55.2° | 28.2° |
| C28 | N12 | C13 | C14 | 160.1° | 153.8° |
| N12 | C28 | C29 | H28 | 120.3° | 120.0° |
| N12 | C28 | C29 | H88 | 120.2° | 120.0° |
| N12 | C28 | C29 | C30 | 135.1° | 180.0° |
| C28 | N12 | C13 | H13 | 39.6° | 34.0° |
| C28 | N12 | C13 | H84 | 79.5° | 86.6° |
| N12 | C28 | H28 | H88 | 119.2° | 119.9° |
| C28 | N12 | C11 | H11 | 26.5° | 51.2° |
| C28 | N12 | C11 | H83 | 93.0° | 67.5° |
| N12 | C28 | C29 | H29 | 104.9° | 60.0° |
| N12 | C28 | C29 | H89 | 15.1° | 60.0° |
| C11 | N12 | C13 | C14 | 82.8° | 79.9° |
| C11 | N12 | C28 | C29 | 80.6° | 166.0° |
| N12 | C11 | C10 | H10 | 76.2° | 41.1° |
| C11 | N12 | C13 | H13 | 156.7° | 160.4° |
| C11 | N12 | C13 | H84 | 37.6° | 39.8° |
| C11 | N12 | C28 | H28 | 39.7° | 45.9° |
| C11 | N12 | C28 | H88 | 159.2° | 74.1° |
| N12 | C11 | H11 | H83 | 119.1° | 118.7° |
| C13 | C14 | C8 | H82 | 164.3° | 162.2° |
| C13 | C14 | C8 | H81 | 43.8° | 79.3° |
| C14 | C13 | H13 | H84 | 118.7° | 120.5° |
| C13 | C14 | H14 | H85 | 120.3° | 118.7° |
| C35 | C17 | N16 | O18 | 178.3° | 179.8° |
| C17 | C35 | C20 | C21 | 121.9° | 136.9° |
| C17 | C35 | C20 | C22 | 59.2° | 43.4° |
| C17 | C35 | C20 | C34 | 119.7° | 119.4° |
| C17 | C35 | C20 | C36 | 120.7° | 120.3° |
| C17 | C35 | C34 | C33 | 158.0° | 170.4° |
| C17 | C35 | C34 | C36 | 117.9° | 120.4° |
| C35 | C17 | O18 | N19 | 179.2° | 179.9° |
| C17 | C35 | C34 | H34 | 38.0° | 50.6° |
| C17 | C35 | C34 | H9E | 82.0° | 69.7° |
| C17 | C35 | C36 | H36 | 180.0° | 60.0° |
| C17 | C35 | C36 | H9F | 60.0° | 180.0° |
| C17 | C35 | C36 | H9G | 60.0° | 60.0° |
| N16 | C17 | C35 | C20 | 135.7° | 60.0° |
| N16 | C17 | C35 | C34 | 100.5° | 179.0° |
| N16 | C17 | C35 | C36 | 16.2° | 60.3° |
| N16 | C17 | O18 | N19 | 0.8° | 0.1° |
| O18 | C17 | C35 | C20 | 46.2° | 120.2° |
| O18 | C17 | C35 | C34 | 77.6° | 1.2° |
| O18 | C17 | C35 | C36 | 165.7° | 119.5° |
| C21 | C20 | C22 | C35 | 179.0° | 179.7° |
| C20 | C21 | C32 | S24 | 179.7° | 180.0° |
| C21 | C20 | C22 | C23 | 0.4° | 0.1° |
| C21 | C20 | C22 | C25 | 179.8° | 180.0° |
| C20 | C21 | S24 | C23 | 0.3° | 0.0° |
| C20 | C21 | C32 | C33 | 32.2° | 16.7° |
| C21 | C20 | C35 | C34 | 2.1° | 17.5° |
| C21 | C20 | C35 | C36 | 117.4° | 102.8° |
| C20 | C21 | C32 | H32 | 87.6° | 103.1° |
| C20 | C21 | C32 | H9C | 152.1° | 136.5° |
| C22 | C20 | C21 | C32 | 179.8° | 180.0° |
| C22 | C20 | C21 | S24 | 0.4° | 0.0° |
| C20 | C22 | C23 | C25 | 179.7° | 179.9° |
| C20 | C22 | C23 | N26 | 179.8° | 180.0° |
| C20 | C22 | C23 | S24 | 0.2° | 0.1° |
| C20 | C22 | C25 | N27 | 170.9° | 110.8° |
| C22 | C20 | C35 | C34 | 178.9° | 162.8° |
| C22 | C20 | C35 | C36 | 61.6° | 76.9° |
| C35 | C20 | C21 | C32 | 0.7° | 0.3° |
| C35 | C20 | C21 | S24 | 179.5° | 179.7° |
| C35 | C20 | C22 | C23 | 179.5° | 179.7° |
| C35 | C20 | C22 | C25 | 0.8° | 0.2° |
| C20 | C35 | C34 | C33 | 35.2° | 50.9° |
| C20 | C35 | C34 | C36 | 119.4° | 120.0° |
| C20 | C35 | C34 | H34 | 84.8° | 69.0° |
| C20 | C35 | C34 | H9E | 155.3° | 170.7° |
| C20 | C35 | C36 | H36 | 58.3° | 179.7° |
| C20 | C35 | C36 | H9F | 61.8° | 59.7° |
| C20 | C35 | C36 | H9G | 178.3° | 60.3° |
| C32 | C21 | S24 | C23 | 180.0° | 180.0° |
| C21 | C32 | C33 | H32 | 119.9° | 119.8° |
| C21 | C32 | C33 | H9C | 119.8° | 119.8° |
| C21 | C32 | C33 | C34 | 63.6° | 50.0° |
| C21 | C32 | H32 | H9C | 120.4° | 120.3° |
| C21 | C32 | C33 | H33 | 177.0° | 169.9° |
| C21 | C32 | C33 | H9D | 55.9° | 69.9° |
| C21 | S24 | C23 | C22 | 0.0° | 0.1° |
| C21 | S24 | C23 | N26 | 180.0° | 180.0° |
| S24 | C21 | C32 | C33 | 148.1° | 163.3° |
| S24 | C21 | C32 | H32 | 92.1° | 76.9° |
| S24 | C21 | C32 | H9C | 28.2° | 43.5° |
| C22 | C23 | N26 | S24 | 180.0° | 179.9° |
| C23 | C22 | C25 | N27 | 9.4° | 69.3° |
| C22 | C23 | N26 | H9Q | 180.0° | 0.1° |
| C22 | C23 | N26 | H26 | 60.0° | 179.9° |
| C25 | C22 | C23 | N26 | 0.0° | 0.1° |
| C25 | C22 | C23 | S24 | 180.0° | 180.0° |
| C28 | C29 | C30 | H29 | 120.0° | 120.0° |
| C28 | C29 | C30 | H89 | 120.0° | 120.0° |
| C28 | C29 | C30 | C31 | 138.2° | 180.0° |
| C29 | C28 | H28 | H88 | 119.3° | 120.0° |
| C28 | C29 | H29 | H89 | 120.1° | 119.9° |
| C28 | C29 | C30 | H30 | 101.9° | 60.0° |
| C28 | C29 | C30 | H9A | 18.1° | 60.0° |
| C2 | C1 | N6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | N4 | 0.8° | 0.1° |
| N6 | C1 | C2 | C3 | 0.5° | 0.1° |
| N6 | C1 | C2 | H2 | 179.5° | 180.0° |
| C3 | C2 | C1 | H1 | 179.5° | 179.9° |
| C23 | N26 | H9Q | H26 | 120.0° | 180.0° |
| S24 | C23 | N26 | H9Q | 0.0° | 180.0° |
| S24 | C23 | N26 | H26 | 120.0° | 0.0° |
| C29 | C30 | C31 | H30 | 120.0° | 120.0° |
| C29 | C30 | C31 | H9A | 120.0° | 120.0° |
| C29 | C30 | C31 | O37 | 60.3° | 180.0° |
| C30 | C29 | C28 | H28 | 14.8° | 60.0° |
| C30 | C29 | C28 | H88 | 104.7° | 60.0° |
| C30 | C29 | H29 | H89 | 120.0° | 120.0° |
| C29 | C30 | H30 | H9A | 120.0° | 120.0° |
| C29 | C30 | C31 | H31 | 179.9° | 60.0° |
| C29 | C30 | C31 | H9B | 59.5° | 60.0° |
| N4 | C3 | C2 | H2 | 179.2° | 180.0° |
| C30 | C31 | O37 | H31 | 119.8° | 120.0° |
| C30 | C31 | O37 | H9B | 119.8° | 119.9° |
| C30 | C31 | O37 | C38 | 162.4° | 180.0° |
| C31 | C30 | C29 | H29 | 18.2° | 60.0° |
| C31 | C30 | C29 | H89 | 101.8° | 60.0° |
| C31 | C30 | H30 | H9A | 120.1° | 119.9° |
| C30 | C31 | H31 | H9B | 120.7° | 120.0° |
| C31 | O37 | C38 | C42 | 153.0° | 179.9° |
| C31 | O37 | C38 | N39 | 27.9° | 0.3° |
| O37 | C31 | C30 | H30 | 59.7° | 59.9° |
| O37 | C31 | C30 | H9A | 179.7° | 60.0° |
| O37 | C31 | H31 | H9B | 120.6° | 120.0° |
| C32 | C33 | C34 | H33 | 119.4° | 119.9° |
| C32 | C33 | C34 | H9D | 119.4° | 119.9° |
| C32 | C33 | C34 | C35 | 66.0° | 70.4° |
| C33 | C32 | H32 | H9C | 120.4° | 120.4° |
| C32 | C33 | H33 | H9D | 121.7° | 120.2° |
| C32 | C33 | C34 | H34 | 54.0° | 49.6° |
| C32 | C33 | C34 | H9E | 174.0° | 169.7° |
| C33 | C34 | C35 | H34 | 120.0° | 119.9° |
| C33 | C34 | C35 | H9E | 120.0° | 119.9° |
| C33 | C34 | C35 | C36 | 84.1° | 69.1° |
| C34 | C33 | C32 | H32 | 56.3° | 69.8° |
| C34 | C33 | C32 | H9C | 176.6° | 169.8° |
| C34 | C33 | H33 | H9D | 121.7° | 120.2° |
| C33 | C34 | H34 | H9E | 120.0° | 120.2° |
| C35 | C34 | C33 | H33 | 174.6° | 169.6° |
| C35 | C34 | C33 | H9D | 53.5° | 49.4° |
| C35 | C34 | H34 | H9E | 120.0° | 120.2° |
| C34 | C35 | C36 | H36 | 64.6° | 60.2° |
| C34 | C35 | C36 | H9F | 175.4° | 59.8° |
| C34 | C35 | C36 | H9G | 55.5° | 179.8° |
| C36 | C35 | C34 | H34 | 155.8° | 171.0° |
| C36 | C35 | C34 | H9E | 35.9° | 50.7° |
| C35 | C36 | H36 | H9F | 120.0° | 120.1° |
| C35 | C36 | H36 | H9G | 120.0° | 120.0° |
| C35 | C36 | H9F | H9G | 120.0° | 120.0° |
| C42 | C38 | N39 | O37 | 179.2° | 179.7° |
| C38 | C42 | C41 | H42 | 180.0° | 179.9° |
| C38 | C42 | C41 | C43 | 179.0° | 180.0° |
| C38 | C42 | C41 | O40 | 0.6° | 0.1° |
| C42 | C38 | N39 | O40 | 0.2° | 0.0° |
| N39 | C38 | C42 | C41 | 0.3° | 0.1° |
| C38 | N39 | O40 | C41 | 0.5° | 0.0° |
| N39 | C38 | C42 | H42 | 179.8° | 179.9° |
| O37 | C38 | C42 | C41 | 179.0° | 179.7° |
| O37 | C38 | N39 | O40 | 179.3° | 179.7° |
| C38 | O37 | C31 | H31 | 42.6° | 60.0° |
| C38 | O37 | C31 | H9B | 77.8° | 60.0° |
| O37 | C38 | C42 | H42 | 1.0° | 0.4° |
| C42 | C41 | C43 | O40 | 178.1° | 179.9° |
| C42 | C41 | C43 | C44 | 62.8° | 120.0° |
| C42 | C41 | C43 | C45 | 60.9° | 120.0° |
| C42 | C41 | O40 | N39 | 0.7° | 0.0° |
| C42 | C41 | C43 | H43 | 179.7° | 0.1° |
| C41 | C43 | C44 | C45 | 123.4° | 120.0° |
| C41 | C43 | C44 | H43 | 116.9° | 120.0° |
| C41 | C43 | C45 | H43 | 119.5° | 120.0° |
| C41 | C43 | C44 | N48 | 141.6° | 95.6° |
| C41 | C43 | C44 | O49 | 36.2° | 84.5° |
| C41 | C43 | C45 | C46 | 179.3° | 178.3° |
| C41 | C43 | C45 | C47 | 61.0° | 61.7° |
| C43 | C41 | O40 | N39 | 179.1° | 180.0° |
| C43 | C41 | C42 | H42 | 1.1° | 0.1° |
| C41 | C43 | C45 | H45 | 61.3° | 58.3° |
| O40 | C41 | C43 | C44 | 115.4° | 60.0° |
| O40 | C41 | C43 | C45 | 121.0° | 60.0° |
| O40 | C41 | C42 | H42 | 179.4° | 180.0° |
| O40 | C41 | C43 | H43 | 1.6° | 180.0° |
| C44 | C43 | C45 | H43 | 119.8° | 120.0° |
| C43 | C44 | N48 | O49 | 177.8° | 179.9° |
| C44 | C43 | C45 | C46 | 58.6° | 58.3° |
| C44 | C43 | C45 | C47 | 59.7° | 178.3° |
| C43 | C44 | N48 | C50 | 177.4° | 174.9° |
| C43 | C44 | N48 | C53 | 1.1° | 4.9° |
| C44 | C43 | C45 | H45 | 178.0° | 61.7° |
| C45 | C43 | C44 | N48 | 95.1° | 144.4° |
| C45 | C43 | C44 | O49 | 87.1° | 35.5° |
| C43 | C45 | C46 | C47 | 123.1° | 120.0° |
| C43 | C45 | C46 | H45 | 119.2° | 120.0° |
| C43 | C45 | C47 | H45 | 122.1° | 120.0° |
| C43 | C45 | C46 | H46 | 180.0° | 64.2° |
| C43 | C45 | C46 | H9H | 60.0° | 175.8° |
| C43 | C45 | C46 | H9I | 60.0° | 55.8° |
| C43 | C45 | C47 | H47 | 180.0° | 60.0° |
| C43 | C45 | C47 | H9J | 60.0° | 180.0° |
| C43 | C45 | C47 | H9K | 60.0° | 60.0° |
| C44 | N48 | C50 | C51 | 168.5° | 179.0° |
| C44 | N48 | C50 | C54 | 76.4° | 59.6° |
| C44 | N48 | C50 | C53 | 178.8° | 179.9° |
| C44 | N48 | C53 | C52 | 147.0° | 155.9° |
| N48 | C44 | C43 | H43 | 24.7° | 24.4° |
| C44 | N48 | C50 | H50 | 49.6° | 61.5° |
| C44 | N48 | C53 | H9M | 94.0° | 37.1° |
| C44 | N48 | C53 | H53 | 27.9° | 85.2° |
| O49 | C44 | N48 | C50 | 0.4° | 5.1° |
| O49 | C44 | N48 | C53 | 178.8° | 175.0° |
| O49 | C44 | C43 | H43 | 153.1° | 155.6° |
| C46 | C45 | C47 | H45 | 117.7° | 120.0° |
| C46 | C45 | C43 | H43 | 61.2° | 61.7° |
| C45 | C46 | H46 | H9H | 120.0° | 120.0° |
| C45 | C46 | H46 | H9I | 120.0° | 120.0° |
| C45 | C46 | H9H | H9I | 120.0° | 120.0° |
| C46 | C45 | C47 | H47 | 59.8° | 180.0° |
| C46 | C45 | C47 | H9J | 179.8° | 60.0° |
| C46 | C45 | C47 | H9K | 60.2° | 60.0° |
| C47 | C45 | C43 | H43 | 179.5° | 58.3° |
| C47 | C45 | C46 | H46 | 56.9° | 55.8° |
| C47 | C45 | C46 | H9H | 63.1° | 64.2° |
| C47 | C45 | C46 | H9I | 176.9° | 175.8° |
| C45 | C47 | H47 | H9J | 120.0° | 120.0° |
| C45 | C47 | H47 | H9K | 120.0° | 120.0° |
| C45 | C47 | H9J | H9K | 120.0° | 119.9° |
| C51 | C50 | C54 | N48 | 115.0° | 117.8° |
| C51 | C50 | C54 | H50 | 119.8° | 121.1° |
| C51 | C50 | N48 | H50 | 118.9° | 119.5° |
| C50 | C51 | C52 | H51 | 119.2° | 118.4° |
| C50 | C51 | C52 | H9L | 119.3° | 118.3° |
| C50 | C51 | C52 | C53 | 33.8° | 35.5° |
| C50 | C51 | C52 | O55 | 82.4° | 153.6° |
| C51 | C50 | N48 | C53 | 10.3° | 1.1° |
| C51 | C50 | C54 | N56 | 93.3° | 61.5° |
| C51 | C50 | C54 | O57 | 82.9° | 118.6° |
| C50 | C51 | H51 | H9L | 122.2° | 123.2° |
| C50 | C51 | C52 | H52 | 152.9° | 82.6° |
| C54 | C50 | N48 | H50 | 126.0° | 121.1° |
| C54 | C50 | C51 | C52 | 134.6° | 97.2° |
| C54 | C50 | N48 | C53 | 104.8° | 120.5° |
| C50 | C54 | N56 | O57 | 176.0° | 180.0° |
| C50 | C54 | N56 | C58 | 176.3° | 180.0° |
| C54 | C50 | C51 | H51 | 15.3° | 21.2° |
| C54 | C50 | C51 | H9L | 106.2° | 144.4° |
| C50 | C54 | N56 | H56 | 3.7° | 0.0° |
| N48 | C50 | C51 | C52 | 15.0° | 22.1° |
| C50 | N48 | C53 | C52 | 31.6° | 24.2° |
| N48 | C50 | C54 | N56 | 151.7° | 179.2° |
| N48 | C50 | C54 | O57 | 32.1° | 0.8° |
| N48 | C50 | C51 | H51 | 104.2° | 140.5° |
| N48 | C50 | C51 | H9L | 134.3° | 96.2° |
| C50 | N48 | C53 | H9M | 87.5° | 143.0° |
| C50 | N48 | C53 | H53 | 150.7° | 94.7° |
| C51 | C52 | C53 | O55 | 115.7° | 118.1° |
| C51 | C52 | C53 | H52 | 119.1° | 118.1° |
| C51 | C52 | O55 | H52 | 124.0° | 123.8° |
| C51 | C52 | C53 | N48 | 40.3° | 37.0° |
| C52 | C51 | C50 | H50 | 104.2° | 141.7° |
| C52 | C51 | H51 | H9L | 122.1° | 123.2° |
| C51 | C52 | C53 | H9M | 78.8° | 155.8° |
| C51 | C52 | C53 | H53 | 159.3° | 81.8° |
| C51 | C52 | O55 | H55 | 180.0° | 180.0° |
| C53 | C52 | O55 | H52 | 124.6° | 123.9° |
| C52 | C53 | N48 | H9M | 119.1° | 118.8° |
| C52 | C53 | N48 | H53 | 119.1° | 118.8° |
| C53 | C52 | C51 | H51 | 85.5° | 153.9° |
| C53 | C52 | C51 | H9L | 153.1° | 82.8° |
| C52 | C53 | H9M | H53 | 122.7° | 122.3° |
| C53 | C52 | O55 | H55 | 68.6° | 67.8° |
| O55 | C52 | C53 | N48 | 75.4° | 155.1° |
| O55 | C52 | C51 | H51 | 158.3° | 88.0° |
| O55 | C52 | C51 | H9L | 36.8° | 35.3° |
| O55 | C52 | C53 | H9M | 165.5° | 86.1° |
| O55 | C52 | C53 | H53 | 43.6° | 36.2° |
| C53 | N48 | C50 | H50 | 129.2° | 118.4° |
| N48 | C53 | C52 | H52 | 159.3° | 81.0° |
| N48 | C53 | H9M | H53 | 122.7° | 122.3° |
| C54 | N56 | C58 | C59 | 94.6° | 180.0° |
| C54 | N56 | C58 | H56 | 180.0° | 180.0° |
| N56 | C54 | C50 | H50 | 26.6° | 59.6° |
| C54 | N56 | C58 | H9N | 145.3° | 60.0° |
| C54 | N56 | C58 | H58 | 25.5° | 60.0° |
| O57 | C54 | N56 | C58 | 0.3° | 0.0° |
| O57 | C54 | C50 | H50 | 157.3° | 120.4° |
| O57 | C54 | N56 | H56 | 179.7° | 180.0° |
| C59 | C58 | N56 | H9N | 120.1° | 120.0° |
| C59 | C58 | N56 | H58 | 120.1° | 120.0° |
| C58 | C59 | C60 | C64 | 179.6° | 179.6° |
| C58 | C59 | C60 | C61 | 179.7° | 179.9° |
| C58 | C59 | C64 | C63 | 179.9° | 179.8° |
| C59 | C58 | H9N | H58 | 119.6° | 120.0° |
| C58 | C59 | C60 | H60 | 0.3° | 0.1° |
| C58 | C59 | C64 | H64 | 0.1° | 0.1° |
| C59 | C58 | N56 | H56 | 85.4° | 0.0° |
| N56 | C58 | C59 | C60 | 17.1° | 90.0° |
| N56 | C58 | C59 | C64 | 163.3° | 90.3° |
| N56 | C58 | H9N | H58 | 119.6° | 120.0° |
| C59 | C60 | C61 | H60 | 180.0° | 180.0° |
| C59 | C60 | C61 | C62 | 0.2° | 0.0° |
| C60 | C59 | C64 | C63 | 0.2° | 0.6° |
| C60 | C59 | C58 | H9N | 103.1° | 150.0° |
| C60 | C59 | C58 | H58 | 137.2° | 30.0° |
| C59 | C60 | C61 | H61 | 179.8° | 180.0° |
| C60 | C59 | C64 | H64 | 179.7° | 179.7° |
| C64 | C59 | C60 | C61 | 0.1° | 0.3° |
| C59 | C64 | C63 | C62 | 0.5° | 0.6° |
| C59 | C64 | C63 | H64 | 180.0° | 179.7° |
| C64 | C59 | C58 | H9N | 76.5° | 29.6° |
| C64 | C59 | C58 | H58 | 43.2° | 149.7° |
| C64 | C59 | C60 | H60 | 179.9° | 179.7° |
| C59 | C64 | C63 | H63 | 179.5° | 179.7° |
| C60 | C61 | C62 | H61 | 180.0° | 180.0° |
| C60 | C61 | C62 | C63 | 0.5° | 0.0° |
| C60 | C61 | C62 | C65 | 179.9° | 180.0° |
| C61 | C62 | C63 | C65 | 179.6° | 180.0° |
| C61 | C62 | C63 | C64 | 0.6° | 0.3° |
| C61 | C62 | C65 | C66 | 135.1° | 130.1° |
| C61 | C62 | C65 | S69 | 44.2° | 50.2° |
| C62 | C61 | C60 | H60 | 179.8° | 180.0° |
| C61 | C62 | C63 | H63 | 179.4° | 180.0° |
| C62 | C63 | C64 | H63 | 180.0° | 179.7° |
| C63 | C62 | C65 | C66 | 45.3° | 49.9° |
| C63 | C62 | C65 | S69 | 135.4° | 129.8° |
| C63 | C62 | C61 | H61 | 179.5° | 180.0° |
| C62 | C63 | C64 | H64 | 179.5° | 179.7° |
| C65 | C62 | C63 | C64 | 179.8° | 179.7° |
| C62 | C65 | C66 | S69 | 179.4° | 179.7° |
| C62 | C65 | C66 | C70 | 0.0° | 0.0° |
| C62 | C65 | C66 | N67 | 179.8° | 180.0° |
| C62 | C65 | S69 | C68 | 179.9° | 180.0° |
| C65 | C62 | C61 | H61 | 0.1° | 0.0° |
| C65 | C62 | C63 | H63 | 0.2° | 0.0° |
| C65 | C66 | C70 | N67 | 179.8° | 180.0° |
| C65 | C66 | N67 | C68 | 0.1° | 0.0° |
| C66 | C65 | S69 | C68 | 0.4° | 0.4° |
| C65 | C66 | C70 | H9P | 179.8° | 94.0° |
| C65 | C66 | C70 | H70 | 60.2° | 146.1° |
| C65 | C66 | C70 | H9O | 59.8° | 26.1° |
| S69 | C65 | C66 | C70 | 179.5° | 179.7° |
| S69 | C65 | C66 | N67 | 0.4° | 0.3° |
| C65 | S69 | C68 | N67 | 0.4° | 0.4° |
| C65 | S69 | C68 | H68 | 179.6° | 179.9° |
| C70 | C66 | N67 | C68 | 179.7° | 180.0° |
| C66 | C70 | H9P | H70 | 120.0° | 119.9° |
| C66 | C70 | H9P | H9O | 120.0° | 120.0° |
| C66 | C70 | H70 | H9O | 120.0° | 120.0° |
| C66 | N67 | C68 | S69 | 0.2° | 0.3° |
| C66 | N67 | C68 | H68 | 179.8° | 180.0° |
| N67 | C66 | C70 | H9P | 0.0° | 86.0° |
| N67 | C66 | C70 | H70 | 120.0° | 34.0° |
| N67 | C66 | C70 | H9O | 120.0° | 153.9° |
| N67 | C68 | S69 | H68 | 180.0° | 179.8° |
| H82 | C8 | C14 | H14 | 44.4° | 77.1° |
| H82 | C8 | C14 | H85 | 75.8° | 41.5° |
| H81 | C8 | C14 | H14 | 76.1° | 41.4° |
| H81 | C8 | C14 | H85 | 163.7° | 159.9° |
| H10 | C10 | C15 | H15 | 60.2° | 61.7° |
| H10 | C10 | C15 | H86 | 179.7° | 58.4° |
| H10 | C10 | C15 | H87 | 59.7° | 178.4° |
| H10 | C10 | C11 | H11 | 44.1° | 79.7° |
| H10 | C10 | C11 | H83 | 163.5° | 161.7° |
| H13 | C13 | C14 | H14 | 55.0° | 27.1° |
| H13 | C13 | C14 | H85 | 65.2° | 91.5° |
| H84 | C13 | C14 | H14 | 64.2° | 93.6° |
| H84 | C13 | C14 | H85 | 175.6° | 147.8° |
| H15 | C15 | H86 | H87 | 120.0° | 120.0° |
| H28 | C28 | C29 | H29 | 134.8° | 180.0° |
| H28 | C28 | C29 | H89 | 105.1° | 60.1° |
| H88 | C28 | C29 | H29 | 15.3° | 60.0° |
| H88 | C28 | C29 | H89 | 135.3° | 179.9° |
| H1 | C1 | C2 | H2 | 0.5° | 0.0° |
| H29 | C29 | C30 | H30 | 138.1° | 180.0° |
| H29 | C29 | C30 | H9A | 101.9° | 60.0° |
| H89 | C29 | C30 | H30 | 18.1° | 60.0° |
| H89 | C29 | C30 | H9A | 138.1° | 180.0° |
| H30 | C30 | C31 | H31 | 60.1° | 180.0° |
| H30 | C30 | C31 | H9B | 179.4° | 60.0° |
| H9A | C30 | C31 | H31 | 59.9° | 60.1° |
| H9A | C30 | C31 | H9B | 60.5° | 179.9° |
| H32 | C32 | C33 | H33 | 63.1° | 50.1° |
| H32 | C32 | C33 | H9D | 175.7° | 170.4° |
| H9C | C32 | C33 | H33 | 57.2° | 70.3° |
| H9C | C32 | C33 | H9D | 64.0° | 49.9° |
| H33 | C33 | C34 | H34 | 65.4° | 70.4° |
| H33 | C33 | C34 | H9E | 54.6° | 49.8° |
| H9D | C33 | C34 | H34 | 173.5° | 169.4° |
| H9D | C33 | C34 | H9E | 66.6° | 70.4° |
| H36 | C36 | H9F | H9G | 120.0° | 119.9° |
| H43 | C43 | C45 | H45 | 58.2° | 178.3° |
| H45 | C45 | C46 | H46 | 60.8° | 175.8° |
| H45 | C45 | C46 | H9H | 179.2° | 55.8° |
| H45 | C45 | C46 | H9I | 59.2° | 64.2° |
| H45 | C45 | C47 | H47 | 57.9° | 60.0° |
| H45 | C45 | C47 | H9J | 62.1° | 60.0° |
| H45 | C45 | C47 | H9K | 177.9° | 180.0° |
| H46 | C46 | H9H | H9I | 120.0° | 120.0° |
| H47 | C47 | H9J | H9K | 120.0° | 120.0° |
| H50 | C50 | C51 | H51 | 136.5° | 99.9° |
| H50 | C50 | C51 | H9L | 15.1° | 23.4° |
| H51 | C51 | C52 | H52 | 33.6° | 35.8° |
| H9L | C51 | C52 | H52 | 87.8° | 159.1° |
| H52 | C52 | C53 | H9M | 40.3° | 37.7° |
| H52 | C52 | C53 | H53 | 81.6° | 160.1° |
| H52 | C52 | O55 | H55 | 56.0° | 56.2° |
| H9N | C58 | N56 | H56 | 34.7° | 120.0° |
| H58 | C58 | N56 | H56 | 154.5° | 120.0° |
| H60 | C60 | C61 | H61 | 0.2° | 0.0° |
| H63 | C63 | C64 | H64 | 0.5° | 0.0° |
| H9P | C70 | H70 | H9O | 120.0° | 120.1° |
