0K8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C34 | doub | 1.34Å | 1.35Å | Aromatic |
| C33 | C32 | sing | 1.43Å | 1.44Å | Aromatic |
| C30 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C30 | C29 | doub | 1.36Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.43Å | 1.43Å | Aromatic |
| C32 | C31 | doub | 1.41Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | C39 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | C39 | sing | 1.45Å | 1.42Å | Aromatic |
| C31 | N5 | sing | 1.36Å | 1.36Å | Aromatic |
| C36 | C37 | doub | 1.36Å | 1.38Å | Aromatic |
| C28 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C39 | N6 | sing | 1.36Å | 1.35Å | Aromatic |
| N5 | RU1 | sing | 2.05Å | 2.11Å | |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C25 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.39Å | Aromatic |
| N6 | C38 | doub | 1.32Å | 1.31Å | Aromatic |
| N6 | RU1 | sing | 2.05Å | 2.10Å | |
| C27 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | RU1 | sing | 2.03Å | 2.09Å | |
| N4 | C23 | sing | 1.35Å | 1.34Å | Aromatic |
| RU1 | N8 | sing | 2.05Å | 2.10Å | |
| RU1 | N7 | sing | 2.05Å | 2.11Å | |
| RU1 | N3 | sing | 2.04Å | 2.10Å | |
| C51 | N8 | doub | 1.32Å | 1.33Å | Aromatic |
| C51 | C50 | sing | 1.40Å | 1.40Å | Aromatic |
| N8 | C48 | sing | 1.36Å | 1.35Å | Aromatic |
| C24 | C23 | doub | 1.41Å | 1.39Å | Aromatic |
| C24 | C17 | sing | 1.46Å | 1.45Å | Aromatic |
| C23 | C22 | sing | 1.46Å | 1.44Å | Aromatic |
| C50 | C49 | doub | 1.36Å | 1.38Å | Aromatic |
| N7 | C40 | doub | 1.32Å | 1.32Å | Aromatic |
| N7 | C44 | sing | 1.36Å | 1.36Å | Aromatic |
| C40 | C41 | sing | 1.40Å | 1.39Å | Aromatic |
| C48 | C44 | sing | 1.45Å | 1.43Å | Aromatic |
| C48 | C47 | doub | 1.41Å | 1.40Å | Aromatic |
| C44 | C43 | doub | 1.41Å | 1.39Å | Aromatic |
| C49 | C47 | sing | 1.40Å | 1.41Å | Aromatic |
| C47 | C46 | sing | 1.43Å | 1.44Å | Aromatic |
| C41 | C42 | doub | 1.36Å | 1.39Å | Aromatic |
| N2 | C17 | sing | 1.33Å | 1.32Å | Aromatic |
| N2 | C15 | doub | 1.36Å | 1.33Å | Aromatic |
| N3 | C22 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C16 | doub | 1.43Å | 1.42Å | Aromatic |
| C22 | C18 | doub | 1.42Å | 1.39Å | Aromatic |
| C43 | C42 | sing | 1.40Å | 1.40Å | Aromatic |
| C43 | C45 | sing | 1.43Å | 1.43Å | Aromatic |
| C46 | C45 | doub | 1.34Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.42Å | 1.43Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.43Å | 1.45Å | Aromatic |
| C18 | C16 | sing | 1.46Å | 1.47Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | N1 | sing | 1.33Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| C20 | C19 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.43Å | 1.45Å | Aromatic |
| C10 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.49Å | 1.50Å | |
| C13 | C52 | sing | 1.49Å | 1.49Å | |
| O60 | C9 | doub | 1.23Å | 1.23Å | |
| C9 | C54 | sing | 1.49Å | 1.47Å | |
| C52 | O59 | doub | 1.23Å | 1.23Å | |
| C52 | C53 | sing | 1.49Å | 1.49Å | |
| C54 | C53 | doub | 1.40Å | 1.44Å | Aromatic |
| C54 | C58 | sing | 1.40Å | 1.40Å | Aromatic |
| C53 | C55 | sing | 1.40Å | 1.39Å | Aromatic |
| C58 | C57 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C56 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | H62 | sing | 0.94Å | 1.08Å | |
| C12 | H63 | sing | 0.94Å | 1.08Å | |
| C19 | H64 | sing | 0.94Å | 1.08Å | |
| C20 | H65 | sing | 0.94Å | 1.08Å | |
| C21 | H66 | sing | 0.94Å | 1.08Å | |
| C25 | H67 | sing | 0.94Å | 1.08Å | |
| C26 | H68 | sing | 0.94Å | 1.08Å | |
| C27 | H69 | sing | 0.94Å | 1.08Å | |
| C28 | H70 | sing | 0.94Å | 1.08Å | |
| C29 | H71 | sing | 0.94Å | 1.08Å | |
| C30 | H72 | sing | 0.94Å | 1.08Å | |
| C33 | H73 | sing | 0.94Å | 1.08Å | |
| C34 | H74 | sing | 0.94Å | 1.08Å | |
| C36 | H75 | sing | 0.94Å | 1.08Å | |
| C37 | H76 | sing | 0.94Å | 1.08Å | |
| C38 | H77 | sing | 0.94Å | 1.08Å | |
| C40 | H78 | sing | 0.94Å | 1.08Å | |
| C41 | H79 | sing | 0.94Å | 1.08Å | |
| C42 | H80 | sing | 0.94Å | 1.08Å | |
| C45 | H81 | sing | 0.94Å | 1.08Å | |
| C46 | H82 | sing | 0.94Å | 1.08Å | |
| C49 | H83 | sing | 0.94Å | 1.08Å | |
| C50 | H84 | sing | 0.94Å | 1.08Å | |
| C51 | H85 | sing | 0.94Å | 1.08Å | |
| C55 | H86 | sing | 0.94Å | 1.08Å | |
| C56 | H87 | sing | 0.94Å | 1.08Å | |
| C57 | H88 | sing | 0.94Å | 1.08Å | |
| C58 | H89 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C32 | 122.2° | 121.2° |
| C33 | C34 | C35 | 120.2° | 121.2° |
| C34 | C33 | H73 | 118.9° | 119.6° |
| C33 | C34 | H74 | 119.9° | 119.6° |
| C33 | C32 | C30 | 123.8° | 123.0° |
| C33 | C32 | C31 | 118.7° | 119.6° |
| C32 | C33 | H73 | 118.9° | 119.1° |
| C32 | C30 | C29 | 119.2° | 119.9° |
| C30 | C32 | C31 | 117.5° | 117.4° |
| C32 | C30 | H72 | 120.4° | 119.9° |
| C30 | C29 | C28 | 119.8° | 118.8° |
| C30 | C29 | H71 | 120.1° | 120.7° |
| C29 | C30 | H72 | 120.4° | 120.2° |
| C34 | C35 | C36 | 124.1° | 122.9° |
| C34 | C35 | C39 | 118.4° | 119.5° |
| C35 | C34 | H74 | 119.9° | 119.2° |
| C32 | C31 | C39 | 118.8° | 119.2° |
| C32 | C31 | N5 | 123.0° | 122.5° |
| C29 | C28 | N5 | 121.8° | 123.6° |
| C29 | C28 | H70 | 119.1° | 118.3° |
| C28 | C29 | H71 | 120.1° | 120.5° |
| C36 | C35 | C39 | 117.5° | 117.5° |
| C35 | C36 | C37 | 119.4° | 119.9° |
| C35 | C36 | H75 | 120.3° | 119.8° |
| C35 | C39 | C31 | 121.8° | 119.3° |
| C35 | C39 | N6 | 120.7° | 122.5° |
| C39 | C31 | N5 | 118.2° | 118.3° |
| C31 | C39 | N6 | 117.5° | 118.2° |
| C31 | N5 | C28 | 118.6° | 117.7° |
| C31 | N5 | RU1 | 111.9° | 110.0° |
| C36 | C37 | C38 | 119.5° | 118.7° |
| C37 | C36 | H75 | 120.3° | 120.3° |
| C36 | C37 | H76 | 120.2° | 120.7° |
| C28 | N5 | RU1 | 129.4° | 132.4° |
| N5 | C28 | H70 | 119.1° | 118.1° |
| C39 | N6 | C38 | 121.8° | 117.6° |
| C39 | N6 | RU1 | 112.9° | 110.0° |
| N5 | RU1 | N6 | 79.4° | 83.6° |
| N5 | RU1 | N4 | 92.9° | 93.6° |
| N5 | RU1 | N8 | 93.1° | 89.4° |
| N5 | RU1 | N7 | 94.9° | 93.6° |
| N5 | RU1 | N3 | 169.3° | 174.9° |
| C25 | C26 | C27 | 119.4° | 118.7° |
| C26 | C25 | N4 | 121.5° | 124.0° |
| C26 | C25 | H67 | 119.2° | 118.1° |
| C25 | C26 | H68 | 120.3° | 120.4° |
| C26 | C27 | C24 | 119.0° | 119.3° |
| C27 | C26 | H68 | 120.3° | 120.8° |
| C26 | C27 | H69 | 120.5° | 120.0° |
| C25 | N4 | RU1 | 126.7° | 131.2° |
| C25 | N4 | C23 | 119.7° | 117.5° |
| N4 | C25 | H67 | 119.3° | 118.0° |
| C37 | C38 | N6 | 121.0° | 123.7° |
| C38 | C37 | H76 | 120.2° | 120.6° |
| C37 | C38 | H77 | 119.5° | 118.2° |
| C38 | N6 | RU1 | 125.2° | 132.4° |
| N6 | C38 | H77 | 119.5° | 118.1° |
| N6 | RU1 | N4 | 91.1° | 90.3° |
| N6 | RU1 | N8 | 94.1° | 93.4° |
| N6 | RU1 | N7 | 171.5° | 175.9° |
| N6 | RU1 | N3 | 93.7° | 92.5° |
| C27 | C24 | C23 | 118.4° | 117.8° |
| C27 | C24 | C17 | 122.3° | 122.0° |
| C24 | C27 | H69 | 120.5° | 120.7° |
| RU1 | N4 | C23 | 113.6° | 111.2° |
| N4 | RU1 | N8 | 172.7° | 175.5° |
| N4 | RU1 | N7 | 95.5° | 92.8° |
| N4 | RU1 | N3 | 78.9° | 83.1° |
| N4 | C23 | C24 | 122.0° | 122.7° |
| N4 | C23 | C22 | 117.2° | 117.3° |
| N8 | RU1 | N7 | 79.7° | 83.7° |
| N8 | RU1 | N3 | 95.6° | 94.1° |
| RU1 | N8 | C51 | 127.1° | 132.4° |
| RU1 | N8 | C48 | 112.6° | 109.9° |
| N7 | RU1 | N3 | 92.7° | 90.5° |
| RU1 | N7 | C40 | 127.8° | 132.4° |
| RU1 | N7 | C44 | 112.1° | 109.9° |
| RU1 | N3 | C22 | 113.3° | 111.0° |
| RU1 | N3 | C21 | 127.6° | 131.4° |
| N8 | C51 | C50 | 122.2° | 123.7° |
| C51 | N8 | C48 | 120.3° | 117.6° |
| N8 | C51 | H85 | 118.9° | 118.0° |
| C51 | C50 | C49 | 118.4° | 118.7° |
| C51 | C50 | H84 | 120.8° | 120.5° |
| C50 | C51 | H85 | 118.9° | 118.3° |
| N8 | C48 | C44 | 117.9° | 118.2° |
| N8 | C48 | C47 | 121.2° | 122.5° |
| C23 | C24 | C17 | 119.3° | 120.2° |
| C24 | C23 | C22 | 120.8° | 120.0° |
| C24 | C17 | N2 | 118.9° | 119.1° |
| C24 | C17 | C16 | 120.4° | 119.9° |
| C23 | C22 | N3 | 116.9° | 117.2° |
| C23 | C22 | C18 | 121.0° | 120.1° |
| C50 | C49 | C47 | 119.8° | 119.9° |
| C50 | C49 | H83 | 120.1° | 120.2° |
| C49 | C50 | H84 | 120.8° | 120.7° |
| C40 | N7 | C44 | 120.1° | 117.7° |
| N7 | C40 | C41 | 121.1° | 123.6° |
| N7 | C40 | H78 | 119.4° | 118.1° |
| N7 | C44 | C48 | 117.7° | 118.2° |
| N7 | C44 | C43 | 122.5° | 122.5° |
| C40 | C41 | C42 | 119.4° | 118.8° |
| C41 | C40 | H78 | 119.4° | 118.2° |
| C40 | C41 | H79 | 120.3° | 120.5° |
| C44 | C48 | C47 | 121.0° | 119.2° |
| C48 | C44 | C43 | 119.9° | 119.2° |
| C48 | C47 | C49 | 118.0° | 117.4° |
| C48 | C47 | C46 | 117.9° | 119.6° |
| C44 | C43 | C42 | 117.1° | 117.5° |
| C44 | C43 | C45 | 118.9° | 119.5° |
| C49 | C47 | C46 | 124.1° | 123.0° |
| C47 | C49 | H83 | 120.1° | 119.8° |
| C47 | C46 | C45 | 121.0° | 121.2° |
| C47 | C46 | H82 | 119.5° | 119.2° |
| C41 | C42 | C43 | 119.8° | 119.9° |
| C42 | C41 | H79 | 120.3° | 120.7° |
| C41 | C42 | H80 | 120.1° | 120.2° |
| C17 | N2 | C15 | 115.8° | 117.8° |
| N2 | C17 | C16 | 120.7° | 121.0° |
| N2 | C15 | C12 | 116.6° | 119.2° |
| N2 | C15 | C14 | 124.3° | 121.2° |
| C22 | N3 | C21 | 119.0° | 117.4° |
| N3 | C22 | C18 | 122.1° | 122.7° |
| N3 | C21 | C20 | 122.3° | 124.0° |
| N3 | C21 | H66 | 118.8° | 117.9° |
| C17 | C16 | C18 | 118.8° | 119.6° |
| C17 | C16 | N1 | 123.9° | 120.8° |
| C22 | C18 | C16 | 119.7° | 120.2° |
| C22 | C18 | C19 | 119.3° | 117.8° |
| C42 | C43 | C45 | 124.0° | 123.0° |
| C43 | C42 | H80 | 120.1° | 119.9° |
| C43 | C45 | C46 | 121.4° | 121.2° |
| C43 | C45 | H81 | 119.3° | 119.1° |
| C46 | C45 | H81 | 119.3° | 119.6° |
| C45 | C46 | H82 | 119.5° | 119.6° |
| C21 | C20 | C19 | 119.3° | 118.8° |
| C21 | C20 | H65 | 120.3° | 120.4° |
| C20 | C21 | H66 | 118.9° | 118.1° |
| C15 | C12 | C11 | 120.5° | 120.3° |
| C12 | C15 | C14 | 119.1° | 119.6° |
| C15 | C12 | H63 | 119.8° | 119.9° |
| C12 | C11 | C10 | 121.0° | 121.8° |
| C12 | C11 | H62 | 119.5° | 118.5° |
| C11 | C12 | H63 | 119.7° | 119.7° |
| C15 | C14 | N1 | 118.3° | 119.9° |
| C15 | C14 | C13 | 119.6° | 119.6° |
| C16 | C18 | C19 | 121.0° | 122.0° |
| C18 | C16 | N1 | 117.3° | 119.6° |
| C18 | C19 | C20 | 117.9° | 119.3° |
| C18 | C19 | H64 | 121.0° | 120.8° |
| C16 | N1 | C14 | 117.0° | 119.4° |
| C11 | C10 | C13 | 121.3° | 119.7° |
| C11 | C10 | C9 | 115.5° | 118.6° |
| C10 | C11 | H62 | 119.5° | 119.6° |
| C20 | C19 | H64 | 121.1° | 119.9° |
| C19 | C20 | H65 | 120.3° | 120.8° |
| N1 | C14 | C13 | 122.1° | 120.6° |
| C14 | C13 | C10 | 118.5° | 118.9° |
| C14 | C13 | C52 | 120.7° | 122.9° |
| C13 | C10 | C9 | 123.1° | 121.7° |
| C10 | C13 | C52 | 120.6° | 118.3° |
| C10 | C9 | O60 | 122.3° | 120.7° |
| C10 | C9 | C54 | 115.4° | 118.9° |
| C13 | C52 | O59 | 121.1° | 122.5° |
| C13 | C52 | C53 | 115.7° | 120.5° |
| O60 | C9 | C54 | 121.3° | 120.4° |
| C9 | C54 | C53 | 120.6° | 120.4° |
| C9 | C54 | C58 | 120.8° | 120.0° |
| O59 | C52 | C53 | 122.3° | 117.0° |
| C52 | C53 | C54 | 122.4° | 120.2° |
| C52 | C53 | C55 | 117.8° | 120.6° |
| C53 | C54 | C58 | 118.6° | 119.6° |
| C54 | C53 | C55 | 119.8° | 119.2° |
| C54 | C58 | C57 | 120.2° | 120.4° |
| C54 | C58 | H89 | 119.9° | 120.2° |
| C53 | C55 | C56 | 120.4° | 120.5° |
| C53 | C55 | H86 | 119.8° | 120.2° |
| C58 | C57 | C56 | 121.0° | 120.0° |
| C58 | C57 | H88 | 119.5° | 119.9° |
| C57 | C58 | H89 | 119.9° | 119.4° |
| C55 | C56 | C57 | 120.1° | 120.2° |
| C56 | C55 | H86 | 119.8° | 119.3° |
| C55 | C56 | H87 | 120.0° | 119.9° |
| C57 | C56 | H87 | 119.9° | 119.9° |
| C56 | C57 | H88 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C32 | H73 | 180.0° | 179.9° |
| C34 | C33 | C32 | C30 | 179.9° | 180.0° |
| C33 | C34 | C35 | H74 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 1.7° | 0.0° |
| C33 | C34 | C35 | C36 | 179.9° | 180.0° |
| C33 | C34 | C35 | C39 | 1.7° | 0.0° |
| C33 | C32 | C30 | C31 | 178.5° | 180.0° |
| C33 | C32 | C30 | C29 | 179.4° | 180.0° |
| C32 | C33 | C34 | C35 | 2.0° | 0.0° |
| C33 | C32 | C31 | C39 | 1.2° | 0.0° |
| C33 | C32 | C31 | N5 | 179.8° | 180.0° |
| C33 | C32 | C30 | H72 | 0.6° | 0.0° |
| C32 | C33 | C34 | H74 | 178.1° | 180.0° |
| C32 | C30 | C29 | H72 | 180.0° | 180.0° |
| C32 | C30 | C29 | C28 | 0.4° | 0.0° |
| C30 | C32 | C31 | C39 | 179.7° | 180.0° |
| C30 | C32 | C31 | N5 | 1.6° | 0.0° |
| C32 | C30 | C29 | H71 | 179.6° | 180.0° |
| C30 | C32 | C33 | H73 | 0.1° | 0.0° |
| C29 | C30 | C32 | C31 | 0.9° | 0.0° |
| C30 | C29 | C28 | H71 | 180.0° | 180.0° |
| C30 | C29 | C28 | N5 | 0.5° | 0.0° |
| C30 | C29 | C28 | H70 | 179.5° | 179.9° |
| C34 | C35 | C36 | C39 | 178.4° | 180.0° |
| C34 | C35 | C39 | C31 | 1.3° | 0.0° |
| C34 | C35 | C36 | C37 | 179.7° | 180.0° |
| C34 | C35 | C39 | N6 | 179.9° | 179.9° |
| C35 | C34 | C33 | H73 | 178.0° | 180.0° |
| C34 | C35 | C36 | H75 | 0.3° | 0.0° |
| C32 | C31 | C39 | C35 | 1.0° | 0.0° |
| C32 | C31 | C39 | N5 | 178.7° | 179.9° |
| C32 | C31 | N5 | C28 | 1.7° | 0.0° |
| C32 | C31 | C39 | N6 | 179.7° | 179.9° |
| C32 | C31 | N5 | RU1 | 179.9° | 179.2° |
| C31 | C32 | C30 | H72 | 179.0° | 180.0° |
| C31 | C32 | C33 | H73 | 178.3° | 179.9° |
| C29 | C28 | N5 | C31 | 1.1° | 0.0° |
| C29 | C28 | N5 | H70 | 180.0° | 179.9° |
| C29 | C28 | N5 | RU1 | 179.2° | 179.0° |
| C28 | C29 | C30 | H72 | 179.6° | 180.0° |
| C36 | C35 | C39 | C31 | 179.8° | 180.0° |
| C35 | C36 | C37 | H75 | 180.0° | 180.0° |
| C36 | C35 | C39 | N6 | 1.6° | 0.1° |
| C35 | C36 | C37 | C38 | 1.2° | 0.0° |
| C36 | C35 | C34 | H74 | 0.1° | 0.1° |
| C35 | C36 | C37 | H76 | 178.8° | 180.0° |
| C35 | C39 | C31 | N6 | 178.6° | 179.9° |
| C35 | C39 | C31 | N5 | 179.8° | 180.0° |
| C39 | C35 | C36 | C37 | 1.3° | 0.0° |
| C35 | C39 | N6 | C38 | 1.9° | 0.2° |
| C35 | C39 | N6 | RU1 | 179.8° | 179.2° |
| C39 | C35 | C34 | H74 | 178.3° | 180.0° |
| C39 | C35 | C36 | H75 | 178.7° | 179.9° |
| C39 | C31 | N5 | C28 | 179.6° | 180.0° |
| C39 | C31 | N5 | RU1 | 1.2° | 0.8° |
| C31 | C39 | N6 | C38 | 179.5° | 179.9° |
| C31 | C39 | N6 | RU1 | 1.1° | 0.6° |
| C31 | N5 | C28 | RU1 | 178.1° | 179.0° |
| N5 | C31 | C39 | N6 | 1.6° | 0.1° |
| C31 | N5 | RU1 | N6 | 0.5° | 0.9° |
| C31 | N5 | RU1 | N4 | 90.2° | 88.9° |
| C31 | N5 | RU1 | N8 | 94.1° | 94.4° |
| C31 | N5 | RU1 | N7 | 174.0° | 178.0° |
| C31 | N5 | RU1 | N3 | 50.6° | 39.1° |
| C31 | N5 | C28 | H70 | 178.9° | 179.9° |
| C36 | C37 | C38 | H76 | 180.0° | 180.0° |
| C36 | C37 | C38 | N6 | 1.4° | 0.1° |
| C36 | C37 | C38 | H77 | 178.6° | 180.0° |
| C28 | N5 | RU1 | N6 | 178.6° | 179.9° |
| C28 | N5 | RU1 | N4 | 88.0° | 90.1° |
| C28 | N5 | RU1 | N8 | 87.8° | 86.6° |
| C28 | N5 | RU1 | N7 | 7.8° | 3.0° |
| C28 | N5 | RU1 | N3 | 127.6° | 139.9° |
| N5 | C28 | C29 | H71 | 179.5° | 180.0° |
| C39 | N6 | RU1 | N5 | 0.3° | 0.8° |
| C39 | N6 | C38 | C37 | 1.7° | 0.2° |
| C39 | N6 | C38 | RU1 | 178.1° | 179.3° |
| C39 | N6 | RU1 | N4 | 93.1° | 92.8° |
| C39 | N6 | RU1 | N8 | 92.1° | 89.9° |
| C39 | N6 | RU1 | N7 | 48.5° | 47.2° |
| C39 | N6 | RU1 | N3 | 172.0° | 175.9° |
| C39 | N6 | C38 | H77 | 178.3° | 180.0° |
| N5 | RU1 | N4 | C25 | 7.6° | 4.3° |
| N5 | RU1 | N6 | C38 | 178.6° | 179.9° |
| N5 | RU1 | N6 | N4 | 92.7° | 93.6° |
| N5 | RU1 | N6 | N8 | 92.4° | 89.0° |
| N5 | RU1 | N6 | N7 | 48.9° | 46.3° |
| N5 | RU1 | N6 | N3 | 171.7° | 176.7° |
| N5 | RU1 | N4 | N8 | 145.0° | 132.3° |
| N5 | RU1 | N4 | N7 | 95.2° | 93.8° |
| N5 | RU1 | N4 | N3 | 173.1° | 176.1° |
| N5 | RU1 | N4 | C23 | 171.9° | 172.5° |
| N5 | RU1 | N8 | N7 | 94.4° | 93.7° |
| N5 | RU1 | N8 | N3 | 173.8° | 176.3° |
| N5 | RU1 | N7 | N3 | 172.5° | 176.9° |
| N5 | RU1 | N8 | C51 | 86.2° | 86.4° |
| N5 | RU1 | N8 | C48 | 96.0° | 92.9° |
| N5 | RU1 | N7 | C40 | 86.8° | 90.9° |
| N5 | RU1 | N7 | C44 | 93.7° | 88.1° |
| N5 | RU1 | N3 | C22 | 38.7° | 46.5° |
| N5 | RU1 | N3 | C21 | 139.0° | 129.7° |
| RU1 | N5 | C28 | H70 | 0.8° | 0.9° |
| C25 | C26 | C27 | H68 | 180.0° | 179.9° |
| C26 | C25 | N4 | H67 | 180.0° | 179.8° |
| C25 | C26 | C27 | C24 | 0.3° | 0.0° |
| C26 | C25 | N4 | RU1 | 178.6° | 176.3° |
| C26 | C25 | N4 | C23 | 0.8° | 0.3° |
| C25 | C26 | C27 | H69 | 179.7° | 180.0° |
| C27 | C26 | C25 | N4 | 0.7° | 0.2° |
| C26 | C27 | C24 | H69 | 180.0° | 180.0° |
| C26 | C27 | C24 | C23 | 0.0° | 0.0° |
| C26 | C27 | C24 | C17 | 179.9° | 179.9° |
| C27 | C26 | C25 | H67 | 179.2° | 180.0° |
| C25 | N4 | RU1 | N6 | 87.1° | 87.9° |
| C25 | N4 | RU1 | C23 | 179.5° | 176.8° |
| C25 | N4 | RU1 | N8 | 137.4° | 128.0° |
| C25 | N4 | RU1 | N7 | 87.6° | 89.5° |
| C25 | N4 | RU1 | N3 | 179.3° | 179.6° |
| C25 | N4 | C23 | C24 | 0.5° | 0.3° |
| C25 | N4 | C23 | C22 | 179.9° | 179.8° |
| N4 | C25 | C26 | H68 | 179.2° | 179.9° |
| C37 | C38 | N6 | H77 | 180.0° | 179.9° |
| C37 | C38 | N6 | RU1 | 179.9° | 179.1° |
| C38 | C37 | C36 | H75 | 178.8° | 179.9° |
| C38 | N6 | RU1 | N4 | 88.7° | 86.5° |
| C38 | N6 | RU1 | N8 | 86.2° | 90.8° |
| C38 | N6 | RU1 | N7 | 129.7° | 133.5° |
| C38 | N6 | RU1 | N3 | 9.7° | 3.4° |
| N6 | C38 | C37 | H76 | 178.6° | 179.9° |
| N6 | RU1 | N4 | N8 | 135.5° | 144.1° |
| N6 | RU1 | N4 | N7 | 174.7° | 177.4° |
| N6 | RU1 | N4 | N3 | 93.6° | 92.5° |
| N6 | RU1 | N4 | C23 | 92.4° | 88.9° |
| N6 | RU1 | N8 | N7 | 174.0° | 177.2° |
| N6 | RU1 | N8 | N3 | 94.2° | 92.8° |
| N6 | RU1 | N7 | N3 | 139.5° | 137.0° |
| N6 | RU1 | N8 | C51 | 6.6° | 2.8° |
| N6 | RU1 | N8 | C48 | 175.6° | 176.4° |
| N6 | RU1 | N7 | C40 | 134.8° | 137.0° |
| N6 | RU1 | N7 | C44 | 45.7° | 42.0° |
| N6 | RU1 | N3 | C22 | 88.7° | 86.3° |
| N6 | RU1 | N3 | C21 | 89.0° | 89.9° |
| RU1 | N6 | C38 | H77 | 0.1° | 0.8° |
| C27 | C24 | C23 | N4 | 0.1° | 0.1° |
| C27 | C24 | C23 | C17 | 179.8° | 179.9° |
| C27 | C24 | C23 | C22 | 179.7° | 180.0° |
| C27 | C24 | C17 | N2 | 0.6° | 0.0° |
| C27 | C24 | C17 | C16 | 179.8° | 179.9° |
| C24 | C27 | C26 | H68 | 179.6° | 179.9° |
| N4 | RU1 | N8 | N7 | 50.6° | 38.7° |
| N4 | RU1 | N8 | N3 | 41.2° | 51.3° |
| N4 | RU1 | N7 | N3 | 79.1° | 83.1° |
| N4 | RU1 | N8 | C51 | 128.8° | 141.2° |
| N4 | RU1 | N8 | C48 | 49.0° | 39.5° |
| RU1 | N4 | C23 | C24 | 179.0° | 177.0° |
| RU1 | N4 | C23 | C22 | 0.5° | 2.9° |
| N4 | RU1 | N7 | C40 | 6.6° | 2.9° |
| N4 | RU1 | N7 | C44 | 173.0° | 178.1° |
| N4 | RU1 | N3 | C22 | 1.7° | 3.7° |
| N4 | RU1 | N3 | C21 | 179.4° | 179.9° |
| RU1 | N4 | C25 | H67 | 1.4° | 3.5° |
| C23 | N4 | RU1 | N8 | 43.1° | 55.2° |
| C23 | N4 | RU1 | N7 | 92.9° | 93.7° |
| C23 | N4 | RU1 | N3 | 1.2° | 3.6° |
| N4 | C23 | C24 | C22 | 179.5° | 179.9° |
| N4 | C23 | C24 | C17 | 180.0° | 179.8° |
| N4 | C23 | C22 | N3 | 1.0° | 0.2° |
| N4 | C23 | C22 | C18 | 179.9° | 179.8° |
| C23 | N4 | C25 | H67 | 179.2° | 179.8° |
| N8 | RU1 | N7 | N3 | 95.2° | 94.1° |
| RU1 | N8 | C51 | C48 | 177.7° | 179.2° |
| RU1 | N8 | C51 | C50 | 178.5° | 179.1° |
| N8 | RU1 | N7 | C40 | 179.1° | 179.9° |
| N8 | RU1 | N7 | C44 | 1.4° | 0.9° |
| RU1 | N8 | C48 | C44 | 1.5° | 0.6° |
| RU1 | N8 | C48 | C47 | 179.1° | 179.2° |
| N8 | RU1 | N3 | C22 | 176.8° | 179.8° |
| N8 | RU1 | N3 | C21 | 5.5° | 3.7° |
| RU1 | N8 | C51 | H85 | 1.5° | 0.9° |
| N7 | RU1 | N8 | C51 | 179.4° | 179.9° |
| N7 | RU1 | N8 | C48 | 1.5° | 0.8° |
| RU1 | N7 | C40 | C44 | 179.5° | 179.0° |
| RU1 | N7 | C40 | C41 | 179.1° | 179.1° |
| RU1 | N7 | C44 | C48 | 1.0° | 0.8° |
| RU1 | N7 | C44 | C43 | 179.8° | 179.3° |
| N7 | RU1 | N3 | C22 | 96.8° | 96.5° |
| N7 | RU1 | N3 | C21 | 85.5° | 87.3° |
| RU1 | N7 | C40 | H78 | 0.9° | 1.0° |
| N3 | RU1 | N8 | C51 | 87.6° | 89.9° |
| N3 | RU1 | N8 | C48 | 90.2° | 90.8° |
| RU1 | N3 | C22 | C23 | 2.0° | 3.2° |
| N3 | RU1 | N7 | C40 | 85.7° | 86.0° |
| N3 | RU1 | N7 | C44 | 93.8° | 95.0° |
| RU1 | N3 | C22 | C21 | 177.9° | 176.8° |
| RU1 | N3 | C22 | C18 | 179.1° | 176.8° |
| RU1 | N3 | C21 | C20 | 177.9° | 176.0° |
| RU1 | N3 | C21 | H66 | 2.1° | 4.0° |
| N8 | C51 | C50 | H85 | 180.0° | 180.0° |
| N8 | C51 | C50 | C49 | 0.1° | 0.0° |
| C51 | N8 | C48 | C44 | 179.5° | 180.0° |
| C51 | N8 | C48 | C47 | 1.1° | 0.1° |
| N8 | C51 | C50 | H84 | 179.9° | 179.9° |
| C50 | C51 | N8 | C48 | 0.8° | 0.1° |
| C51 | C50 | C49 | H84 | 180.0° | 179.9° |
| C51 | C50 | C49 | C47 | 0.7° | 0.0° |
| C51 | C50 | C49 | H83 | 179.3° | 180.0° |
| N8 | C48 | C44 | N7 | 0.4° | 0.1° |
| N8 | C48 | C44 | C47 | 179.4° | 179.9° |
| N8 | C48 | C44 | C43 | 178.5° | 179.9° |
| N8 | C48 | C47 | C49 | 0.5° | 0.1° |
| N8 | C48 | C47 | C46 | 178.7° | 180.0° |
| C48 | N8 | C51 | H85 | 179.2° | 179.9° |
| C23 | C24 | C17 | N2 | 179.6° | 179.9° |
| C24 | C23 | C22 | N3 | 179.4° | 179.9° |
| C23 | C24 | C17 | C16 | 0.0° | 0.0° |
| C24 | C23 | C22 | C18 | 0.5° | 0.1° |
| C23 | C24 | C27 | H69 | 180.0° | 180.0° |
| C17 | C24 | C23 | C22 | 0.5° | 0.1° |
| C24 | C17 | N2 | C16 | 179.6° | 180.0° |
| C24 | C17 | N2 | C15 | 179.6° | 180.0° |
| C24 | C17 | C16 | C18 | 0.6° | 0.0° |
| C24 | C17 | C16 | N1 | 178.6° | 180.0° |
| C17 | C24 | C27 | H69 | 0.1° | 0.1° |
| C23 | C22 | N3 | C18 | 178.9° | 180.0° |
| C23 | C22 | N3 | C21 | 179.9° | 180.0° |
| C23 | C22 | C18 | C16 | 0.0° | 0.1° |
| C23 | C22 | C18 | C19 | 179.4° | 180.0° |
| C50 | C49 | C47 | C48 | 0.5° | 0.0° |
| C50 | C49 | C47 | H83 | 180.0° | 180.0° |
| C50 | C49 | C47 | C46 | 179.5° | 179.9° |
| C49 | C50 | C51 | H85 | 179.8° | 180.0° |
| N7 | C40 | C41 | H78 | 180.0° | 179.9° |
| C40 | N7 | C44 | C48 | 179.4° | 180.0° |
| C40 | N7 | C44 | C43 | 0.6° | 0.1° |
| N7 | C40 | C41 | C42 | 0.8° | 0.1° |
| N7 | C40 | C41 | H79 | 179.2° | 180.0° |
| C44 | N7 | C40 | C41 | 0.4° | 0.1° |
| N7 | C44 | C48 | C43 | 178.9° | 179.9° |
| N7 | C44 | C48 | C47 | 179.7° | 180.0° |
| N7 | C44 | C43 | C42 | 1.1° | 0.0° |
| N7 | C44 | C43 | C45 | 179.1° | 180.0° |
| C44 | N7 | C40 | H78 | 179.6° | 180.0° |
| C40 | C41 | C42 | H79 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.2° | 0.0° |
| C40 | C41 | C42 | H80 | 179.8° | 179.9° |
| C44 | C48 | C47 | C49 | 179.8° | 180.0° |
| C44 | C48 | C47 | C46 | 0.7° | 0.1° |
| C48 | C44 | C43 | C42 | 180.0° | 180.0° |
| C48 | C44 | C43 | C45 | 0.3° | 0.0° |
| C47 | C48 | C44 | C43 | 0.9° | 0.1° |
| C48 | C47 | C49 | C46 | 179.1° | 179.9° |
| C48 | C47 | C46 | C45 | 0.0° | 0.1° |
| C48 | C47 | C46 | H82 | 180.0° | 180.0° |
| C48 | C47 | C49 | H83 | 179.5° | 179.9° |
| C44 | C43 | C42 | C41 | 0.7° | 0.0° |
| C44 | C43 | C42 | C45 | 179.7° | 180.0° |
| C44 | C43 | C45 | C46 | 0.4° | 0.0° |
| C44 | C43 | C42 | H80 | 179.3° | 179.9° |
| C44 | C43 | C45 | H81 | 179.6° | 180.0° |
| C49 | C47 | C46 | C45 | 179.0° | 180.0° |
| C49 | C47 | C46 | H82 | 1.0° | 0.0° |
| C47 | C49 | C50 | H84 | 179.2° | 180.0° |
| C47 | C46 | C45 | C43 | 0.6° | 0.1° |
| C47 | C46 | C45 | H82 | 180.0° | 179.9° |
| C47 | C46 | C45 | H81 | 179.4° | 180.0° |
| C46 | C47 | C49 | H83 | 0.5° | 0.0° |
| C41 | C42 | C43 | H80 | 180.0° | 179.9° |
| C41 | C42 | C43 | C45 | 179.5° | 180.0° |
| C42 | C41 | C40 | H78 | 179.2° | 180.0° |
| C17 | N2 | C15 | C12 | 179.4° | 180.0° |
| C17 | N2 | C15 | C14 | 0.6° | 0.0° |
| N2 | C17 | C16 | C18 | 179.0° | 180.0° |
| N2 | C17 | C16 | N1 | 1.0° | 0.0° |
| C15 | N2 | C17 | C16 | 0.0° | 0.0° |
| N2 | C15 | C12 | C14 | 180.0° | 180.0° |
| N2 | C15 | C12 | C11 | 179.6° | 180.0° |
| N2 | C15 | C14 | N1 | 0.3° | 0.0° |
| N2 | C15 | C14 | C13 | 179.3° | 179.9° |
| N2 | C15 | C12 | H63 | 0.4° | 0.0° |
| C22 | N3 | C21 | C20 | 0.4° | 0.0° |
| N3 | C22 | C18 | C16 | 178.9° | 179.9° |
| N3 | C22 | C18 | C19 | 1.7° | 0.0° |
| C22 | N3 | C21 | H66 | 179.6° | 180.0° |
| C21 | N3 | C22 | C18 | 1.2° | 0.0° |
| N3 | C21 | C20 | H66 | 180.0° | 180.0° |
| N3 | C21 | C20 | C19 | 0.1° | 0.0° |
| N3 | C21 | C20 | H65 | 179.9° | 180.0° |
| C17 | C16 | C18 | C22 | 0.6° | 0.0° |
| C17 | C16 | C18 | N1 | 178.1° | 180.0° |
| C17 | C16 | C18 | C19 | 178.9° | 179.9° |
| C17 | C16 | N1 | C14 | 1.3° | 0.1° |
| C22 | C18 | C16 | C19 | 179.4° | 179.9° |
| C22 | C18 | C16 | N1 | 178.7° | 180.0° |
| C22 | C18 | C19 | C20 | 1.4° | 0.0° |
| C22 | C18 | C19 | H64 | 178.6° | 180.0° |
| C42 | C43 | C45 | C46 | 179.3° | 180.0° |
| C43 | C42 | C41 | H79 | 179.8° | 179.9° |
| C42 | C43 | C45 | H81 | 0.7° | 0.0° |
| C43 | C45 | C46 | H81 | 180.0° | 179.9° |
| C45 | C43 | C42 | H80 | 0.5° | 0.1° |
| C43 | C45 | C46 | H82 | 179.4° | 180.0° |
| C21 | C20 | C19 | C18 | 0.6° | 0.0° |
| C21 | C20 | C19 | H65 | 180.0° | 180.0° |
| C21 | C20 | C19 | H64 | 179.4° | 180.0° |
| C15 | C12 | C11 | H63 | 180.0° | 180.0° |
| C15 | C12 | C11 | C10 | 0.8° | 0.1° |
| C12 | C15 | C14 | N1 | 179.7° | 180.0° |
| C12 | C15 | C14 | C13 | 0.7° | 0.1° |
| C15 | C12 | C11 | H62 | 179.2° | 179.9° |
| C11 | C12 | C15 | C14 | 0.4° | 0.0° |
| C12 | C11 | C10 | H62 | 180.0° | 179.8° |
| C12 | C11 | C10 | C13 | 0.1° | 0.2° |
| C12 | C11 | C10 | C9 | 176.2° | 179.9° |
| C15 | C14 | N1 | C16 | 0.6° | 0.0° |
| C15 | C14 | N1 | C13 | 178.9° | 179.9° |
| C15 | C14 | C13 | C10 | 1.5° | 0.0° |
| C15 | C14 | C13 | C52 | 178.0° | 179.9° |
| C14 | C15 | C12 | H63 | 179.6° | 180.0° |
| C16 | C18 | C19 | C20 | 179.2° | 179.9° |
| C18 | C16 | N1 | C14 | 179.3° | 180.0° |
| C16 | C18 | C19 | H64 | 0.8° | 0.0° |
| C19 | C18 | C16 | N1 | 0.7° | 0.0° |
| C18 | C19 | C20 | H64 | 180.0° | 180.0° |
| C18 | C19 | C20 | H65 | 179.4° | 180.0° |
| C16 | N1 | C14 | C13 | 178.3° | 179.9° |
| C11 | C10 | C13 | C14 | 1.1° | 0.1° |
| C11 | C10 | C13 | C9 | 175.9° | 179.9° |
| C11 | C10 | C13 | C52 | 177.6° | 180.0° |
| C11 | C10 | C9 | O60 | 0.4° | 1.4° |
| C11 | C10 | C9 | C54 | 168.2° | 177.9° |
| C10 | C11 | C12 | H63 | 179.2° | 179.9° |
| C19 | C20 | C21 | H66 | 179.9° | 180.0° |
| N1 | C14 | C13 | C10 | 179.6° | 180.0° |
| N1 | C14 | C13 | C52 | 3.2° | 0.0° |
| C14 | C13 | C10 | C52 | 176.5° | 179.9° |
| C14 | C13 | C10 | C9 | 177.0° | 180.0° |
| C14 | C13 | C52 | O59 | 0.3° | 1.4° |
| C14 | C13 | C52 | C53 | 169.9° | 177.8° |
| C13 | C10 | C9 | O60 | 175.8° | 178.5° |
| C13 | C10 | C9 | C54 | 15.7° | 2.2° |
| C10 | C13 | C52 | O59 | 176.1° | 178.6° |
| C10 | C13 | C52 | C53 | 6.5° | 2.2° |
| C13 | C10 | C11 | H62 | 179.9° | 180.0° |
| C9 | C10 | C13 | C52 | 6.5° | 0.1° |
| C10 | C9 | O60 | C54 | 167.9° | 179.3° |
| C10 | C9 | C54 | C53 | 11.7° | 2.2° |
| C10 | C9 | C54 | C58 | 168.7° | 177.7° |
| C9 | C10 | C11 | H62 | 3.8° | 0.1° |
| C13 | C52 | O59 | C53 | 169.0° | 179.2° |
| C13 | C52 | C53 | C54 | 10.2° | 2.2° |
| C13 | C52 | C53 | C55 | 168.8° | 177.6° |
| O60 | C9 | C54 | C53 | 179.6° | 178.6° |
| O60 | C9 | C54 | C58 | 0.0° | 1.6° |
| C9 | C54 | C53 | C52 | 0.8° | 0.0° |
| C9 | C54 | C53 | C58 | 179.6° | 179.8° |
| C9 | C54 | C53 | C55 | 178.2° | 179.8° |
| C9 | C54 | C58 | C57 | 178.6° | 179.9° |
| C9 | C54 | C58 | H89 | 1.4° | 0.2° |
| O59 | C52 | C53 | C54 | 179.7° | 178.5° |
| O59 | C52 | C53 | C55 | 0.7° | 1.6° |
| C52 | C53 | C54 | C55 | 179.0° | 179.9° |
| C52 | C53 | C54 | C58 | 178.8° | 179.9° |
| C52 | C53 | C55 | C56 | 179.3° | 179.9° |
| C52 | C53 | C55 | H86 | 0.7° | 0.1° |
| C53 | C54 | C58 | C57 | 1.8° | 0.1° |
| C54 | C53 | C55 | C56 | 1.6° | 0.1° |
| C54 | C53 | C55 | H86 | 178.4° | 180.0° |
| C53 | C54 | C58 | H89 | 178.2° | 179.9° |
| C58 | C54 | C53 | C55 | 2.2° | 0.0° |
| C54 | C58 | C57 | H89 | 180.0° | 179.9° |
| C54 | C58 | C57 | C56 | 0.9° | 0.1° |
| C54 | C58 | C57 | H88 | 179.1° | 179.9° |
| C53 | C55 | C56 | H86 | 180.0° | 179.9° |
| C53 | C55 | C56 | C57 | 0.7° | 0.1° |
| C53 | C55 | C56 | H87 | 179.3° | 179.9° |
| C58 | C57 | C56 | C55 | 0.3° | 0.0° |
| C58 | C57 | C56 | H88 | 180.0° | 180.0° |
| C58 | C57 | C56 | H87 | 179.7° | 180.0° |
| C55 | C56 | C57 | H87 | 180.0° | 180.0° |
| C55 | C56 | C57 | H88 | 179.7° | 180.0° |
| C57 | C56 | C55 | H86 | 179.3° | 180.0° |
| C56 | C57 | C58 | H89 | 179.1° | 180.0° |
| H62 | C11 | C12 | H63 | 0.8° | 0.1° |
| H64 | C19 | C20 | H65 | 0.6° | 0.0° |
| H65 | C20 | C21 | H66 | 0.1° | 0.0° |
| H67 | C25 | C26 | H68 | 0.8° | 0.0° |
| H68 | C26 | C27 | H69 | 0.3° | 0.0° |
| H70 | C28 | C29 | H71 | 0.5° | 0.1° |
| H71 | C29 | C30 | H72 | 0.4° | 0.0° |
| H73 | C33 | C34 | H74 | 1.9° | 0.1° |
| H75 | C36 | C37 | H76 | 1.2° | 0.0° |
| H76 | C37 | C38 | H77 | 1.4° | 0.0° |
| H78 | C40 | C41 | H79 | 0.8° | 0.1° |
| H79 | C41 | C42 | H80 | 0.2° | 0.0° |
| H81 | C45 | C46 | H82 | 0.6° | 0.1° |
| H83 | C49 | C50 | H84 | 0.7° | 0.1° |
| H84 | C50 | C51 | H85 | 0.2° | 0.1° |
| H86 | C55 | C56 | H87 | 0.7° | 0.0° |
| H87 | C56 | C57 | H88 | 0.3° | 0.0° |
| H88 | C57 | C58 | H89 | 0.9° | 0.0° |
