AB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C88 | O87 | sing | 1.43Å | 1.43Å | |
| C88 | H881 | sing | 1.09Å | 1.12Å | |
| C88 | H882 | sing | 1.09Å | 1.12Å | |
| C88 | H883 | sing | 1.09Å | 1.11Å | |
| O87 | C79 | sing | 1.36Å | 1.41Å | |
| C79 | C80 | doub | 1.39Å | 1.40Å | Aromatic |
| C79 | C77 | sing | 1.39Å | 1.39Å | Aromatic |
| C80 | O85 | sing | 1.36Å | 1.39Å | |
| C80 | C81 | sing | 1.39Å | 1.39Å | Aromatic |
| O85 | H85 | sing | 0.97Å | 0.95Å | |
| C81 | C83 | doub | 1.38Å | 1.39Å | Aromatic |
| C81 | H81 | sing | 1.08Å | 1.10Å | |
| C83 | C76 | sing | 1.38Å | 1.39Å | Aromatic |
| C83 | H83 | sing | 1.08Å | 1.10Å | |
| C77 | C76 | doub | 1.38Å | 1.39Å | Aromatic |
| C77 | H77 | sing | 1.08Å | 1.10Å | |
| C76 | C73 | sing | 1.51Å | 1.52Å | |
| C73 | N1 | sing | 1.46Å | 1.45Å | |
| C73 | H731 | sing | 1.09Å | 1.12Å | |
| C73 | H732 | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| N1 | C10 | sing | 1.34Å | 1.35Å | |
| C2 | C62 | sing | 1.53Å | 1.57Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C62 | C65 | sing | 1.51Å | 1.53Å | |
| C62 | H621 | sing | 1.09Å | 1.12Å | |
| C62 | H622 | sing | 1.09Å | 1.11Å | |
| C65 | N67 | sing | 1.35Å | 1.36Å | |
| C65 | O66 | doub | 1.21Å | 1.22Å | |
| N67 | C69 | sing | 1.47Å | 1.46Å | |
| N67 | H67 | sing | 0.97Å | 1.02Å | |
| C69 | H691 | sing | 1.09Å | 1.12Å | |
| C69 | H692 | sing | 1.09Å | 1.12Å | |
| C69 | H693 | sing | 1.09Å | 1.12Å | |
| C4 | C7 | sing | 1.54Å | 1.57Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C7 | O9 | sing | 1.46Å | 1.43Å | |
| C7 | C12 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| O9 | C10 | sing | 1.35Å | 1.33Å | |
| C10 | O11 | doub | 1.22Å | 1.23Å | |
| C12 | C15 | sing | 1.53Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C15 | C18 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C36 | sing | 1.53Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.12Å | |
| C20 | C31 | sing | 1.50Å | 1.49Å | |
| C20 | C22 | sing | 1.51Å | 1.55Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.48Å | 1.48Å | |
| C31 | C29 | doub | 1.32Å | 1.33Å | |
| C32 | C34 | doub | 1.32Å | 1.32Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C34 | C36 | sing | 1.50Å | 1.51Å | |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C36 | C38 | sing | 1.53Å | 1.55Å | |
| C36 | H36 | sing | 1.09Å | 1.11Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.12Å | |
| C29 | C27 | sing | 1.51Å | 1.51Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C27 | C42 | sing | 1.53Å | 1.54Å | |
| C27 | C24 | sing | 1.54Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H423 | sing | 1.09Å | 1.12Å | |
| C24 | C22 | sing | 1.53Å | 1.56Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C22 | O46 | sing | 1.45Å | 1.43Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| O46 | C47 | sing | 1.34Å | 1.33Å | |
| C47 | O48 | doub | 1.21Å | 1.23Å | |
| C47 | C49 | sing | 1.51Å | 1.51Å | |
| C49 | C58 | sing | 1.53Å | 1.54Å | |
| C49 | C51 | sing | 1.53Å | 1.51Å | |
| C49 | H49 | sing | 1.09Å | 1.11Å | |
| C58 | H581 | sing | 1.09Å | 1.12Å | |
| C58 | H582 | sing | 1.09Å | 1.11Å | |
| C58 | H583 | sing | 1.09Å | 1.11Å | |
| C51 | C54 | sing | 1.53Å | 1.54Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C54 | H541 | sing | 1.09Å | 1.12Å | |
| C54 | H542 | sing | 1.09Å | 1.12Å | |
| C54 | H543 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O87 | C88 | H881 | 108.9° | 109.5° |
| O87 | C88 | H882 | 118.6° | 109.5° |
| O87 | C88 | H883 | 108.9° | 109.5° |
| C88 | O87 | C79 | 118.6° | 106.8° |
| H881 | C88 | H882 | 108.9° | 109.5° |
| H881 | C88 | H883 | 101.1° | 109.4° |
| H882 | C88 | H883 | 108.9° | 109.5° |
| O87 | C79 | C80 | 117.1° | 120.1° |
| O87 | C79 | C77 | 123.2° | 120.1° |
| C80 | C79 | C77 | 119.7° | 119.8° |
| C79 | C80 | O85 | 118.8° | 120.0° |
| C79 | C80 | C81 | 121.0° | 119.9° |
| C79 | C77 | C76 | 119.5° | 120.0° |
| C79 | C77 | H77 | 120.3° | 120.0° |
| O85 | C80 | C81 | 120.1° | 120.1° |
| C80 | O85 | H85 | 118.8° | 106.8° |
| C80 | C81 | C83 | 118.7° | 120.1° |
| C80 | C81 | H81 | 120.7° | 120.0° |
| C83 | C81 | H81 | 120.7° | 119.9° |
| C81 | C83 | C76 | 120.9° | 120.1° |
| C81 | C83 | H83 | 119.7° | 120.0° |
| C76 | C83 | H83 | 119.5° | 119.9° |
| C83 | C76 | C77 | 120.3° | 120.2° |
| C83 | C76 | C73 | 118.2° | 119.9° |
| C76 | C77 | H77 | 120.2° | 120.0° |
| C77 | C76 | C73 | 121.5° | 119.9° |
| C76 | C73 | N1 | 104.8° | 109.5° |
| C76 | C73 | H731 | 114.0° | 109.4° |
| C76 | C73 | H732 | 114.0° | 109.5° |
| N1 | C73 | H731 | 114.0° | 109.5° |
| N1 | C73 | H732 | 114.0° | 109.5° |
| C73 | N1 | C2 | 121.2° | 118.6° |
| C73 | N1 | C10 | 117.2° | 118.6° |
| H731 | C73 | H732 | 96.5° | 109.5° |
| C2 | N1 | C10 | 121.3° | 122.9° |
| N1 | C2 | C62 | 111.2° | 109.2° |
| N1 | C2 | C4 | 113.9° | 110.3° |
| N1 | C2 | H2 | 105.0° | 109.4° |
| N1 | C10 | O9 | 122.4° | 122.1° |
| N1 | C10 | O11 | 121.5° | 119.0° |
| C62 | C2 | C4 | 109.0° | 109.3° |
| C62 | C2 | H2 | 110.3° | 109.3° |
| C2 | C62 | C65 | 114.7° | 109.5° |
| C2 | C62 | H621 | 110.3° | 109.5° |
| C2 | C62 | H622 | 110.3° | 109.5° |
| C4 | C2 | H2 | 107.3° | 109.4° |
| C2 | C4 | C7 | 108.6° | 108.5° |
| C2 | C4 | H41 | 112.5° | 109.7° |
| C2 | C4 | H42 | 112.5° | 109.7° |
| C65 | C62 | H621 | 110.3° | 109.5° |
| C65 | C62 | H622 | 110.3° | 109.4° |
| C62 | C65 | N67 | 118.8° | 120.0° |
| C62 | C65 | O66 | 117.6° | 120.0° |
| H621 | C62 | H622 | 100.0° | 109.4° |
| N67 | C65 | O66 | 123.5° | 120.1° |
| C65 | N67 | C69 | 120.8° | 119.9° |
| C65 | N67 | H67 | 115.9° | 120.0° |
| C69 | N67 | H67 | 123.3° | 120.0° |
| N67 | C69 | H691 | 108.2° | 109.5° |
| N67 | C69 | H692 | 120.8° | 109.5° |
| N67 | C69 | H693 | 108.2° | 109.5° |
| H691 | C69 | H692 | 108.2° | 109.5° |
| H691 | C69 | H693 | 101.8° | 109.5° |
| H692 | C69 | H693 | 108.1° | 109.4° |
| C7 | C4 | H41 | 112.5° | 109.6° |
| C7 | C4 | H42 | 112.5° | 109.6° |
| C4 | C7 | O9 | 106.7° | 107.8° |
| C4 | C7 | C12 | 109.7° | 109.8° |
| C4 | C7 | H7 | 110.6° | 109.8° |
| H41 | C4 | H42 | 97.9° | 109.8° |
| O9 | C7 | C12 | 107.9° | 109.8° |
| O9 | C7 | H7 | 112.4° | 109.8° |
| C7 | O9 | C10 | 114.5° | 119.1° |
| C12 | C7 | H7 | 109.5° | 109.8° |
| C7 | C12 | C15 | 113.8° | 109.4° |
| C7 | C12 | H121 | 110.7° | 109.5° |
| C7 | C12 | H122 | 110.7° | 109.5° |
| O9 | C10 | O11 | 116.2° | 118.9° |
| C15 | C12 | H121 | 110.6° | 109.4° |
| C15 | C12 | H122 | 110.6° | 109.5° |
| C12 | C15 | C18 | 110.2° | 109.4° |
| C12 | C15 | H151 | 111.9° | 109.5° |
| C12 | C15 | H152 | 111.9° | 109.5° |
| H121 | C12 | H122 | 99.6° | 109.5° |
| C18 | C15 | H151 | 111.9° | 109.4° |
| C18 | C15 | H152 | 111.9° | 109.5° |
| C15 | C18 | C20 | 104.7° | 109.8° |
| C15 | C18 | C36 | 111.0° | 109.6° |
| C15 | C18 | H18 | 112.0° | 109.6° |
| H151 | C15 | H152 | 98.5° | 109.5° |
| C20 | C18 | C36 | 110.5° | 108.7° |
| C20 | C18 | H18 | 112.5° | 109.5° |
| C18 | C20 | C31 | 109.1° | 108.2° |
| C18 | C20 | C22 | 109.9° | 112.3° |
| C18 | C20 | H20 | 110.5° | 107.1° |
| C36 | C18 | H18 | 106.4° | 109.6° |
| C18 | C36 | C34 | 110.8° | 111.7° |
| C18 | C36 | C38 | 111.6° | 109.0° |
| C18 | C36 | H36 | 106.8° | 109.0° |
| C31 | C20 | C22 | 112.5° | 114.9° |
| C31 | C20 | H20 | 107.9° | 107.1° |
| C20 | C31 | C32 | 119.1° | 116.9° |
| C20 | C31 | C29 | 120.7° | 123.7° |
| C22 | C20 | H20 | 107.0° | 106.8° |
| C20 | C22 | C24 | 107.7° | 112.0° |
| C20 | C22 | O46 | 107.7° | 109.0° |
| C20 | C22 | H22 | 112.6° | 109.0° |
| C32 | C31 | C29 | 120.2° | 119.4° |
| C31 | C32 | C34 | 121.5° | 119.6° |
| C31 | C32 | H32 | 125.1° | 120.1° |
| C31 | C29 | C27 | 125.3° | 120.9° |
| C31 | C29 | H29 | 110.7° | 119.6° |
| C34 | C32 | H32 | 113.5° | 120.2° |
| C32 | C34 | C36 | 122.7° | 124.2° |
| C32 | C34 | H34 | 111.7° | 117.9° |
| C36 | C34 | H34 | 125.7° | 117.9° |
| C34 | C36 | C38 | 108.5° | 109.0° |
| C34 | C36 | H36 | 110.0° | 109.0° |
| C38 | C36 | H36 | 109.2° | 109.0° |
| C36 | C38 | H381 | 111.4° | 109.4° |
| C36 | C38 | H382 | 111.6° | 109.5° |
| C36 | C38 | H383 | 111.4° | 109.5° |
| H381 | C38 | H382 | 111.4° | 109.4° |
| H381 | C38 | H383 | 99.0° | 109.5° |
| H382 | C38 | H383 | 111.4° | 109.5° |
| C27 | C29 | H29 | 124.1° | 119.5° |
| C29 | C27 | C42 | 109.0° | 109.9° |
| C29 | C27 | C24 | 113.2° | 107.6° |
| C29 | C27 | H27 | 107.8° | 109.9° |
| C42 | C27 | C24 | 110.8° | 109.8° |
| C42 | C27 | H27 | 110.3° | 109.8° |
| C27 | C42 | H421 | 112.4° | 109.4° |
| C27 | C42 | H422 | 109.0° | 109.5° |
| C27 | C42 | H423 | 112.4° | 109.5° |
| C24 | C27 | H27 | 105.8° | 109.8° |
| C27 | C24 | C22 | 110.7° | 108.4° |
| C27 | C24 | H241 | 111.7° | 109.7° |
| C27 | C24 | H242 | 111.8° | 109.6° |
| H421 | C42 | H422 | 112.4° | 109.5° |
| H421 | C42 | H423 | 98.0° | 109.5° |
| H422 | C42 | H423 | 112.4° | 109.5° |
| C22 | C24 | H241 | 111.7° | 109.7° |
| C22 | C24 | H242 | 111.7° | 109.7° |
| C24 | C22 | O46 | 111.8° | 109.0° |
| C24 | C22 | H22 | 108.6° | 108.9° |
| H241 | C24 | H242 | 98.7° | 109.7° |
| O46 | C22 | H22 | 108.6° | 109.0° |
| C22 | O46 | C47 | 116.4° | 120.0° |
| O46 | C47 | O48 | 123.4° | 120.0° |
| O46 | C47 | C49 | 112.5° | 120.0° |
| O48 | C47 | C49 | 124.1° | 120.0° |
| C47 | C49 | C58 | 110.5° | 109.4° |
| C47 | C49 | C51 | 109.0° | 109.5° |
| C47 | C49 | H49 | 109.0° | 109.5° |
| C58 | C49 | C51 | 109.0° | 109.5° |
| C58 | C49 | H49 | 108.9° | 109.5° |
| C49 | C58 | H581 | 111.8° | 109.5° |
| C49 | C58 | H582 | 110.5° | 109.5° |
| C49 | C58 | H583 | 111.9° | 109.5° |
| C51 | C49 | H49 | 110.4° | 109.5° |
| C49 | C51 | C54 | 107.2° | 109.4° |
| C49 | C51 | H511 | 113.1° | 109.4° |
| C49 | C51 | H512 | 113.1° | 109.5° |
| H581 | C58 | H582 | 111.8° | 109.5° |
| H581 | C58 | H583 | 98.6° | 109.4° |
| H582 | C58 | H583 | 111.8° | 109.5° |
| C54 | C51 | H511 | 113.0° | 109.5° |
| C54 | C51 | H512 | 113.0° | 109.5° |
| C51 | C54 | H541 | 113.0° | 109.4° |
| C51 | C54 | H542 | 107.2° | 109.5° |
| C51 | C54 | H543 | 113.1° | 109.5° |
| H511 | C51 | H512 | 97.4° | 109.5° |
| H541 | C54 | H542 | 113.1° | 109.5° |
| H541 | C54 | H543 | 97.4° | 109.4° |
| H542 | C54 | H543 | 113.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O87 | C88 | H881 | H882 | 130.8° | 120.0° |
| O87 | C88 | H881 | H883 | 114.6° | 120.0° |
| O87 | C88 | H882 | H883 | 125.3° | 120.1° |
| C88 | O87 | C79 | C80 | 156.5° | 180.0° |
| C88 | O87 | C79 | C77 | 24.5° | 0.2° |
| H881 | C88 | H882 | H883 | 109.5° | 119.9° |
| H881 | C88 | O87 | C79 | 54.7° | 180.0° |
| H882 | C88 | O87 | C79 | 180.0° | 60.0° |
| H883 | C88 | O87 | C79 | 54.8° | 60.0° |
| O87 | C79 | C80 | C77 | 179.0° | 179.8° |
| O87 | C79 | C80 | O85 | 0.5° | 0.0° |
| O87 | C79 | C80 | C81 | 180.0° | 180.0° |
| O87 | C79 | C77 | C76 | 179.2° | 179.7° |
| O87 | C79 | C77 | H77 | 0.8° | 0.3° |
| C79 | C80 | O85 | C81 | 179.5° | 180.0° |
| C79 | C80 | O85 | H85 | 180.0° | 90.0° |
| C79 | C80 | C81 | C83 | 1.1° | 0.0° |
| C79 | C80 | C81 | H81 | 178.9° | 180.0° |
| C80 | C79 | C77 | C76 | 0.3° | 0.5° |
| C80 | C79 | C77 | H77 | 179.7° | 180.0° |
| C77 | C79 | C80 | O85 | 179.5° | 179.8° |
| C77 | C79 | C80 | C81 | 1.1° | 0.3° |
| C79 | C77 | C76 | C83 | 0.4° | 0.6° |
| C79 | C77 | C76 | H77 | 180.0° | 179.4° |
| C79 | C77 | C76 | C73 | 179.0° | 179.8° |
| O85 | C80 | C81 | C83 | 179.4° | 180.0° |
| O85 | C80 | C81 | H81 | 0.6° | 0.0° |
| C81 | C80 | O85 | H85 | 0.6° | 90.0° |
| C80 | C81 | C83 | H81 | 180.0° | 180.0° |
| C80 | C81 | C83 | C76 | 0.4° | 0.1° |
| C80 | C81 | C83 | H83 | 179.6° | 180.0° |
| C81 | C83 | C76 | H83 | 180.0° | 179.9° |
| C81 | C83 | C76 | C77 | 0.3° | 0.3° |
| C81 | C83 | C76 | C73 | 179.0° | 180.0° |
| H81 | C81 | C83 | C76 | 179.6° | 179.9° |
| H81 | C81 | C83 | H83 | 0.4° | 0.0° |
| C83 | C76 | C77 | C73 | 178.7° | 179.7° |
| C83 | C76 | C77 | H77 | 179.6° | 180.0° |
| C83 | C76 | C73 | N1 | 71.0° | 94.9° |
| C83 | C76 | C73 | H731 | 54.3° | 25.1° |
| C83 | C76 | C73 | H732 | 163.8° | 145.1° |
| H83 | C83 | C76 | C77 | 179.7° | 179.7° |
| H83 | C83 | C76 | C73 | 1.0° | 0.1° |
| C77 | C76 | C73 | N1 | 107.7° | 85.4° |
| C77 | C76 | C73 | H731 | 127.0° | 154.6° |
| C77 | C76 | C73 | H732 | 17.5° | 34.6° |
| H77 | C77 | C76 | C73 | 0.9° | 0.3° |
| C76 | C73 | N1 | H731 | 125.3° | 120.0° |
| C76 | C73 | N1 | H732 | 125.3° | 120.0° |
| C76 | C73 | H731 | H732 | 119.9° | 120.0° |
| C76 | C73 | N1 | C2 | 66.1° | 84.2° |
| C76 | C73 | N1 | C10 | 119.4° | 95.7° |
| N1 | C73 | H731 | H732 | 119.8° | 120.0° |
| C73 | N1 | C2 | C10 | 174.2° | 179.9° |
| C73 | N1 | C2 | C62 | 58.6° | 39.0° |
| C73 | N1 | C2 | C4 | 177.8° | 159.1° |
| C73 | N1 | C2 | H2 | 60.7° | 80.6° |
| C73 | N1 | C10 | O9 | 176.7° | 178.0° |
| C73 | N1 | C10 | O11 | 3.1° | 2.0° |
| H731 | C73 | N1 | C2 | 168.6° | 155.8° |
| H731 | C73 | N1 | C10 | 5.9° | 24.3° |
| H732 | C73 | N1 | C2 | 59.1° | 35.8° |
| H732 | C73 | N1 | C10 | 115.3° | 144.3° |
| N1 | C2 | C62 | C4 | 126.4° | 120.7° |
| N1 | C2 | C62 | H2 | 116.0° | 119.6° |
| N1 | C2 | C4 | H2 | 115.7° | 120.3° |
| N1 | C2 | C62 | C65 | 179.6° | 174.1° |
| N1 | C2 | C62 | H621 | 54.3° | 54.1° |
| N1 | C2 | C62 | H622 | 55.2° | 65.9° |
| N1 | C2 | C4 | C7 | 25.2° | 49.1° |
| N1 | C2 | C4 | H41 | 100.0° | 70.5° |
| N1 | C2 | C4 | H42 | 150.5° | 168.9° |
| C2 | N1 | C10 | O9 | 8.8° | 2.2° |
| C2 | N1 | C10 | O11 | 171.4° | 177.9° |
| C10 | N1 | C2 | C62 | 115.7° | 141.1° |
| C10 | N1 | C2 | C4 | 7.9° | 21.0° |
| C10 | N1 | C2 | H2 | 125.0° | 99.3° |
| N1 | C10 | O9 | C7 | 28.8° | 14.7° |
| N1 | C10 | O9 | O11 | 179.8° | 180.0° |
| C62 | C2 | C4 | H2 | 119.5° | 119.7° |
| C2 | C62 | C65 | H621 | 125.3° | 120.0° |
| C2 | C62 | C65 | H622 | 125.3° | 120.1° |
| C2 | C62 | H621 | H622 | 116.1° | 120.0° |
| C2 | C62 | C65 | N67 | 126.5° | 173.9° |
| C2 | C62 | C65 | O66 | 49.8° | 6.1° |
| C62 | C2 | C4 | C7 | 150.0° | 169.2° |
| C62 | C2 | C4 | H41 | 24.8° | 49.5° |
| C62 | C2 | C4 | H42 | 84.7° | 71.1° |
| C4 | C2 | C62 | C65 | 53.2° | 65.2° |
| C4 | C2 | C62 | H621 | 72.1° | 174.8° |
| C4 | C2 | C62 | H622 | 178.4° | 54.8° |
| C2 | C4 | C7 | H41 | 125.3° | 119.7° |
| C2 | C4 | C7 | H42 | 125.2° | 119.8° |
| C2 | C4 | H41 | H42 | 118.4° | 120.6° |
| C2 | C4 | C7 | O9 | 58.1° | 60.2° |
| C2 | C4 | C7 | C12 | 174.7° | 179.8° |
| C2 | C4 | C7 | H7 | 64.4° | 59.4° |
| H2 | C2 | C62 | C65 | 64.4° | 54.5° |
| H2 | C2 | C62 | H621 | 170.4° | 65.5° |
| H2 | C2 | C62 | H622 | 60.9° | 174.5° |
| H2 | C2 | C4 | C7 | 90.5° | 71.2° |
| H2 | C2 | C4 | H41 | 144.2° | 169.2° |
| H2 | C2 | C4 | H42 | 34.7° | 48.6° |
| C65 | C62 | H621 | H622 | 116.1° | 119.9° |
| C62 | C65 | N67 | O66 | 176.1° | 179.9° |
| C62 | C65 | N67 | C69 | 158.7° | 180.0° |
| C62 | C65 | N67 | H67 | 21.3° | 0.1° |
| H621 | C62 | C65 | N67 | 1.2° | 66.0° |
| H621 | C62 | C65 | O66 | 175.1° | 113.9° |
| H622 | C62 | C65 | N67 | 108.2° | 53.9° |
| H622 | C62 | C65 | O66 | 75.4° | 126.2° |
| C65 | N67 | C69 | H67 | 180.0° | 179.9° |
| C65 | N67 | C69 | H691 | 54.7° | 59.9° |
| C65 | N67 | C69 | H692 | 180.0° | 60.1° |
| C65 | N67 | C69 | H693 | 54.7° | 180.0° |
| O66 | C65 | N67 | C69 | 25.2° | 0.1° |
| O66 | C65 | N67 | H67 | 154.8° | 180.0° |
| N67 | C69 | H691 | H692 | 132.4° | 120.0° |
| N67 | C69 | H691 | H693 | 113.8° | 120.0° |
| N67 | C69 | H692 | H693 | 125.3° | 120.0° |
| H67 | N67 | C69 | H691 | 125.2° | 120.0° |
| H67 | N67 | C69 | H692 | 0.0° | 120.0° |
| H67 | N67 | C69 | H693 | 125.3° | 0.0° |
| H691 | C69 | H692 | H693 | 109.5° | 120.0° |
| C7 | C4 | H41 | H42 | 118.5° | 120.4° |
| C4 | C7 | O9 | C12 | 117.8° | 119.6° |
| C4 | C7 | O9 | H7 | 121.4° | 119.6° |
| C4 | C7 | C12 | H7 | 121.5° | 120.8° |
| C4 | C7 | O9 | C10 | 61.7° | 43.8° |
| C4 | C7 | C12 | C15 | 177.5° | 175.8° |
| C4 | C7 | C12 | H121 | 57.3° | 64.2° |
| C4 | C7 | C12 | H122 | 52.2° | 55.8° |
| H41 | C4 | C7 | O9 | 67.2° | 59.5° |
| H41 | C4 | C7 | C12 | 49.4° | 60.1° |
| H41 | C4 | C7 | H7 | 170.3° | 179.1° |
| H42 | C4 | C7 | O9 | 176.7° | 179.9° |
| H42 | C4 | C7 | C12 | 60.1° | 60.4° |
| H42 | C4 | C7 | H7 | 60.8° | 60.3° |
| O9 | C7 | C12 | H7 | 122.6° | 120.8° |
| C7 | O9 | C10 | O11 | 150.9° | 165.4° |
| O9 | C7 | C12 | C15 | 66.7° | 65.8° |
| O9 | C7 | C12 | H121 | 58.6° | 54.1° |
| O9 | C7 | C12 | H122 | 168.1° | 174.2° |
| C12 | C7 | O9 | C10 | 179.6° | 163.4° |
| C7 | C12 | C15 | H121 | 125.3° | 120.0° |
| C7 | C12 | C15 | H122 | 125.3° | 120.0° |
| C7 | C12 | H121 | H122 | 116.5° | 120.0° |
| C7 | C12 | C15 | C18 | 173.7° | 180.0° |
| C7 | C12 | C15 | H151 | 61.1° | 60.1° |
| C7 | C12 | C15 | H152 | 48.4° | 60.0° |
| H7 | C7 | O9 | C10 | 59.7° | 75.8° |
| H7 | C7 | C12 | C15 | 55.9° | 55.0° |
| H7 | C7 | C12 | H121 | 178.8° | 175.0° |
| H7 | C7 | C12 | H122 | 69.3° | 65.0° |
| C15 | C12 | H121 | H122 | 116.5° | 120.0° |
| C12 | C15 | C18 | H151 | 125.2° | 120.0° |
| C12 | C15 | C18 | H152 | 125.3° | 120.0° |
| C12 | C15 | H151 | H152 | 117.8° | 120.0° |
| C12 | C15 | C18 | C20 | 177.1° | 160.2° |
| C12 | C15 | C18 | C36 | 57.9° | 40.9° |
| C12 | C15 | C18 | H18 | 60.8° | 79.5° |
| H121 | C12 | C15 | C18 | 48.4° | 60.0° |
| H121 | C12 | C15 | H151 | 173.7° | 180.0° |
| H121 | C12 | C15 | H152 | 76.9° | 60.0° |
| H122 | C12 | C15 | C18 | 61.0° | 60.0° |
| H122 | C12 | C15 | H151 | 64.2° | 59.9° |
| H122 | C12 | C15 | H152 | 173.7° | 180.0° |
| C18 | C15 | H151 | H152 | 117.9° | 120.0° |
| C15 | C18 | C20 | C36 | 119.5° | 119.9° |
| C15 | C18 | C20 | H18 | 121.8° | 120.4° |
| C15 | C18 | C36 | H18 | 122.0° | 120.4° |
| C15 | C18 | C20 | C31 | 176.4° | 177.9° |
| C15 | C18 | C20 | C22 | 59.8° | 50.1° |
| C15 | C18 | C20 | H20 | 58.0° | 66.9° |
| C15 | C18 | C36 | C34 | 167.5° | 169.5° |
| C15 | C18 | C36 | C38 | 46.4° | 49.0° |
| C15 | C18 | C36 | H36 | 72.8° | 69.9° |
| H151 | C15 | C18 | C20 | 57.7° | 79.8° |
| H151 | C15 | C18 | C36 | 176.9° | 160.9° |
| H151 | C15 | C18 | H18 | 64.4° | 40.5° |
| H152 | C15 | C18 | C20 | 51.8° | 40.2° |
| H152 | C15 | C18 | C36 | 67.4° | 79.1° |
| H152 | C15 | C18 | H18 | 173.9° | 160.5° |
| C20 | C18 | C36 | H18 | 122.3° | 119.6° |
| C18 | C20 | C31 | C22 | 122.2° | 126.3° |
| C18 | C20 | C31 | H20 | 120.0° | 115.2° |
| C18 | C20 | C22 | H20 | 120.0° | 117.2° |
| C18 | C20 | C31 | C32 | 33.4° | 45.4° |
| C18 | C20 | C31 | C29 | 147.5° | 134.4° |
| C20 | C18 | C36 | C34 | 51.9° | 49.5° |
| C20 | C18 | C36 | C38 | 69.2° | 71.0° |
| C20 | C18 | C36 | H36 | 171.6° | 170.1° |
| C18 | C20 | C22 | C24 | 176.2° | 101.1° |
| C18 | C20 | C22 | O46 | 55.5° | 19.5° |
| C18 | C20 | C22 | H22 | 64.2° | 138.4° |
| C36 | C18 | C20 | C31 | 56.9° | 62.2° |
| C36 | C18 | C20 | C22 | 179.3° | 170.0° |
| C36 | C18 | C20 | H20 | 61.5° | 53.0° |
| C18 | C36 | C34 | C32 | 22.3° | 19.4° |
| C18 | C36 | C34 | C38 | 122.8° | 120.5° |
| C18 | C36 | C34 | H36 | 117.8° | 120.6° |
| C18 | C36 | C34 | H34 | 157.7° | 160.7° |
| C18 | C36 | C38 | H36 | 117.8° | 118.9° |
| C18 | C36 | C38 | H381 | 54.7° | 177.8° |
| C18 | C36 | C38 | H382 | 180.0° | 57.8° |
| C18 | C36 | C38 | H383 | 54.7° | 62.2° |
| H18 | C18 | C20 | C31 | 61.8° | 57.6° |
| H18 | C18 | C20 | C22 | 62.0° | 70.3° |
| H18 | C18 | C20 | H20 | 179.8° | 172.7° |
| H18 | C18 | C36 | C34 | 70.5° | 70.1° |
| H18 | C18 | C36 | C38 | 168.5° | 169.4° |
| H18 | C18 | C36 | H36 | 49.3° | 50.5° |
| C31 | C20 | C22 | H20 | 118.3° | 118.6° |
| C20 | C31 | C32 | C29 | 179.2° | 179.8° |
| C20 | C31 | C32 | C34 | 3.6° | 14.7° |
| C20 | C31 | C32 | H32 | 176.4° | 165.3° |
| C20 | C31 | C29 | C27 | 0.0° | 2.4° |
| C20 | C31 | C29 | H29 | 180.0° | 177.5° |
| C31 | C20 | C22 | C24 | 54.5° | 23.1° |
| C31 | C20 | C22 | O46 | 66.2° | 143.8° |
| C31 | C20 | C22 | H22 | 174.1° | 97.4° |
| C22 | C20 | C31 | C32 | 155.6° | 171.7° |
| C22 | C20 | C31 | C29 | 25.2° | 8.1° |
| C20 | C22 | C24 | C27 | 60.6° | 58.1° |
| C20 | C22 | C24 | O46 | 118.1° | 120.7° |
| C20 | C22 | C24 | H22 | 122.2° | 120.6° |
| C20 | C22 | C24 | H241 | 64.7° | 177.9° |
| C20 | C22 | C24 | H242 | 174.1° | 61.6° |
| C20 | C22 | O46 | H22 | 122.2° | 118.8° |
| C20 | C22 | O46 | C47 | 161.9° | 148.8° |
| H20 | C20 | C31 | C32 | 86.7° | 69.8° |
| H20 | C20 | C31 | C29 | 92.5° | 110.4° |
| H20 | C20 | C22 | C24 | 63.8° | 141.7° |
| H20 | C20 | C22 | O46 | 175.5° | 97.6° |
| H20 | C20 | C22 | H22 | 55.8° | 21.2° |
| C31 | C32 | C34 | H32 | 180.0° | 180.0° |
| C31 | C32 | C34 | C36 | 2.5° | 0.9° |
| C31 | C32 | C34 | H34 | 177.5° | 179.2° |
| C32 | C31 | C29 | C27 | 179.2° | 177.4° |
| C32 | C31 | C29 | H29 | 0.8° | 2.7° |
| C29 | C31 | C32 | C34 | 177.2° | 165.1° |
| C29 | C31 | C32 | H32 | 2.8° | 14.9° |
| C31 | C29 | C27 | H29 | 180.0° | 179.9° |
| C31 | C29 | C27 | C42 | 117.5° | 152.5° |
| C31 | C29 | C27 | C24 | 6.3° | 33.0° |
| C31 | C29 | C27 | H27 | 122.9° | 86.5° |
| C32 | C34 | C36 | H34 | 180.0° | 179.9° |
| C32 | C34 | C36 | C38 | 100.6° | 101.1° |
| C32 | C34 | C36 | H36 | 140.1° | 139.9° |
| H32 | C32 | C34 | C36 | 177.5° | 179.2° |
| H32 | C32 | C34 | H34 | 2.5° | 0.8° |
| C34 | C36 | C38 | H36 | 119.8° | 118.9° |
| C34 | C36 | C38 | H381 | 67.6° | 60.1° |
| C34 | C36 | C38 | H382 | 57.6° | 180.0° |
| C34 | C36 | C38 | H383 | 177.1° | 59.9° |
| H34 | C34 | C36 | C38 | 79.4° | 78.8° |
| H34 | C34 | C36 | H36 | 39.9° | 40.1° |
| C36 | C38 | H381 | H382 | 125.3° | 119.9° |
| C36 | C38 | H381 | H383 | 117.3° | 120.0° |
| C36 | C38 | H382 | H383 | 125.2° | 120.0° |
| H36 | C36 | C38 | H381 | 172.5° | 58.9° |
| H36 | C36 | C38 | H382 | 62.2° | 61.1° |
| H36 | C36 | C38 | H383 | 63.0° | 178.9° |
| H381 | C38 | H382 | H383 | 109.5° | 120.0° |
| C29 | C27 | C42 | C24 | 125.2° | 118.2° |
| C29 | C27 | C42 | H27 | 118.1° | 121.0° |
| C29 | C27 | C24 | H27 | 117.7° | 119.5° |
| C29 | C27 | C42 | H421 | 54.7° | 58.2° |
| C29 | C27 | C42 | H422 | 180.0° | 61.8° |
| C29 | C27 | C42 | H423 | 54.8° | 178.2° |
| C29 | C27 | C24 | C22 | 37.0° | 61.9° |
| C29 | C27 | C24 | H241 | 88.2° | 178.3° |
| C29 | C27 | C24 | H242 | 162.3° | 57.8° |
| H29 | C29 | C27 | C42 | 62.5° | 27.5° |
| H29 | C29 | C27 | C24 | 173.7° | 147.1° |
| H29 | C29 | C27 | H27 | 57.1° | 93.4° |
| C42 | C27 | C24 | H27 | 119.5° | 120.8° |
| C27 | C42 | H421 | H422 | 123.4° | 120.0° |
| C27 | C42 | H421 | H423 | 118.3° | 120.0° |
| C27 | C42 | H422 | H423 | 125.3° | 120.1° |
| C42 | C27 | C24 | C22 | 85.7° | 178.5° |
| C42 | C27 | C24 | H241 | 149.0° | 58.7° |
| C42 | C27 | C24 | H242 | 39.5° | 61.8° |
| C24 | C27 | C42 | H421 | 179.9° | 60.0° |
| C24 | C27 | C42 | H422 | 54.8° | 180.0° |
| C24 | C27 | C42 | H423 | 70.4° | 60.0° |
| C27 | C24 | C22 | H241 | 125.3° | 119.7° |
| C27 | C24 | C22 | H242 | 125.3° | 119.7° |
| C27 | C24 | H241 | H242 | 117.7° | 120.5° |
| C27 | C24 | C22 | O46 | 57.5° | 178.8° |
| C27 | C24 | C22 | H22 | 177.2° | 62.4° |
| H27 | C27 | C42 | H421 | 63.4° | 179.2° |
| H27 | C27 | C42 | H422 | 61.9° | 59.2° |
| H27 | C27 | C42 | H423 | 172.8° | 60.8° |
| H27 | C27 | C24 | C22 | 154.8° | 57.6° |
| H27 | C27 | C24 | H241 | 29.5° | 62.1° |
| H27 | C27 | C24 | H242 | 80.0° | 177.4° |
| H421 | C42 | H422 | H423 | 109.5° | 120.0° |
| C22 | C24 | H241 | H242 | 117.6° | 120.6° |
| C24 | C22 | O46 | H22 | 119.7° | 118.7° |
| C24 | C22 | O46 | C47 | 80.1° | 88.7° |
| H241 | C24 | C22 | O46 | 177.3° | 61.5° |
| H241 | C24 | C22 | H22 | 57.5° | 57.3° |
| H242 | C24 | C22 | O46 | 67.8° | 59.1° |
| H242 | C24 | C22 | H22 | 51.9° | 177.9° |
| C22 | O46 | C47 | O48 | 6.5° | 0.0° |
| C22 | O46 | C47 | C49 | 172.3° | 180.0° |
| H22 | C22 | O46 | C47 | 39.7° | 30.0° |
| O46 | C47 | O48 | C49 | 178.6° | 180.0° |
| O46 | C47 | C49 | C58 | 120.8° | 60.0° |
| O46 | C47 | C49 | C51 | 119.4° | 180.0° |
| O46 | C47 | C49 | H49 | 1.2° | 59.9° |
| O48 | C47 | C49 | C58 | 57.9° | 120.0° |
| O48 | C47 | C49 | C51 | 61.9° | 0.0° |
| O48 | C47 | C49 | H49 | 177.6° | 120.0° |
| C47 | C49 | C58 | C51 | 119.8° | 120.0° |
| C47 | C49 | C58 | H49 | 119.7° | 120.0° |
| C47 | C49 | C51 | H49 | 119.6° | 120.0° |
| C47 | C49 | C58 | H581 | 54.7° | 60.0° |
| C47 | C49 | C58 | H582 | 180.0° | 60.0° |
| C47 | C49 | C58 | H583 | 54.7° | 180.0° |
| C47 | C49 | C51 | C54 | 66.0° | 175.0° |
| C47 | C49 | C51 | H511 | 59.3° | 55.0° |
| C47 | C49 | C51 | H512 | 168.8° | 65.0° |
| C58 | C49 | C51 | H49 | 119.6° | 120.0° |
| C49 | C58 | H581 | H582 | 124.5° | 120.0° |
| C49 | C58 | H581 | H583 | 117.8° | 120.0° |
| C49 | C58 | H582 | H583 | 125.3° | 120.0° |
| C58 | C49 | C51 | C54 | 173.3° | 65.0° |
| C58 | C49 | C51 | H511 | 61.4° | 175.0° |
| C58 | C49 | C51 | H512 | 48.1° | 55.0° |
| C51 | C49 | C58 | H581 | 65.0° | 180.0° |
| C51 | C49 | C58 | H582 | 60.2° | 60.0° |
| C51 | C49 | C58 | H583 | 174.5° | 60.0° |
| C49 | C51 | C54 | H511 | 125.3° | 119.9° |
| C49 | C51 | C54 | H512 | 125.3° | 120.0° |
| C49 | C51 | H511 | H512 | 119.0° | 120.0° |
| C49 | C51 | C54 | H541 | 54.7° | 180.0° |
| C49 | C51 | C54 | H542 | 180.0° | 60.0° |
| C49 | C51 | C54 | H543 | 54.7° | 60.0° |
| H49 | C49 | C58 | H581 | 174.4° | 59.9° |
| H49 | C49 | C58 | H582 | 60.3° | 180.0° |
| H49 | C49 | C58 | H583 | 64.9° | 60.0° |
| H49 | C49 | C51 | C54 | 53.7° | 55.0° |
| H49 | C49 | C51 | H511 | 178.9° | 65.0° |
| H49 | C49 | C51 | H512 | 71.6° | 175.0° |
| H581 | C58 | H582 | H583 | 109.5° | 120.0° |
| C54 | C51 | H511 | H512 | 119.0° | 120.0° |
| C51 | C54 | H541 | H542 | 122.0° | 120.0° |
| C51 | C54 | H541 | H543 | 119.0° | 120.0° |
| C51 | C54 | H542 | H543 | 125.3° | 120.1° |
| H511 | C51 | C54 | H541 | 180.0° | 60.1° |
| H511 | C51 | C54 | H542 | 54.8° | 59.9° |
| H511 | C51 | C54 | H543 | 70.5° | 180.0° |
| H512 | C51 | C54 | H541 | 70.5° | 60.0° |
| H512 | C51 | C54 | H542 | 54.7° | 180.0° |
| H512 | C51 | C54 | H543 | 180.0° | 60.0° |
| H541 | C54 | H542 | H543 | 109.5° | 120.0° |
