TM3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O6 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | N3 | sing | 1.47Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N3 | C13 | sing | 1.47Å | 1.49Å | |
| N3 | C4 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O6 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N16 | C17 | sing | 1.38Å | 1.35Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C17 | N26 | sing | 1.37Å | 1.34Å | Aromatic |
| C17 | N23 | doub | 1.31Å | 1.34Å | Aromatic |
| N23 | C24 | sing | 1.36Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C35 | sing | 1.40Å | 1.39Å | Aromatic |
| N26 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C25 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C41 | N26 | sing | 1.46Å | 1.48Å | |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | sing | 1.39Å | 1.42Å | Aromatic |
| C33 | C60 | sing | 1.51Å | 1.51Å | |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | sing | 1.51Å | 1.48Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C45 | C42 | doub | 1.39Å | 1.36Å | Aromatic |
| C42 | N49 | sing | 1.32Å | 1.37Å | Aromatic |
| O56 | C45 | sing | 1.36Å | 1.37Å | |
| C45 | C46 | sing | 1.39Å | 1.38Å | Aromatic |
| C46 | C47 | doub | 1.39Å | 1.42Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| N49 | C48 | doub | 1.32Å | 1.34Å | Aromatic |
| C48 | C58 | sing | 1.51Å | 1.51Å | |
| O56 | HO56 | sing | 0.97Å | 0.95Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C58 | H58B | sing | 1.09Å | 1.10Å | |
| N61 | C60 | sing | 1.46Å | 1.48Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| N61 | C62 | sing | 1.40Å | 1.37Å | |
| C70 | C62 | doub | 1.39Å | 1.39Å | Aromatic |
| C62 | C66 | sing | 1.39Å | 1.40Å | Aromatic |
| C66 | C67 | doub | 1.38Å | 1.40Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C68 | C67 | sing | 1.38Å | 1.39Å | Aromatic |
| C67 | C77 | sing | 1.51Å | 1.52Å | |
| C69 | C68 | doub | 1.38Å | 1.38Å | Aromatic |
| C68 | H68 | sing | 1.08Å | 1.08Å | |
| C70 | C69 | sing | 1.38Å | 1.39Å | Aromatic |
| C69 | H69 | sing | 1.08Å | 1.08Å | |
| C79 | C70 | sing | 1.51Å | 1.52Å | |
| C77 | H77 | sing | 1.09Å | 1.10Å | |
| C77 | H77A | sing | 1.09Å | 1.10Å | |
| C77 | H77B | sing | 1.09Å | 1.10Å | |
| C80 | C79 | sing | 1.53Å | 1.53Å | |
| C79 | H79 | sing | 1.09Å | 1.10Å | |
| C79 | H79A | sing | 1.09Å | 1.10Å | |
| C80 | C81 | sing | 1.53Å | 1.54Å | |
| C80 | H80 | sing | 1.09Å | 1.10Å | |
| C80 | H80A | sing | 1.09Å | 1.10Å | |
| O82 | C81 | sing | 1.43Å | 1.44Å | |
| C81 | H81 | sing | 1.09Å | 1.10Å | |
| C81 | H81A | sing | 1.09Å | 1.10Å | |
| O82 | HO82 | sing | 0.97Å | 0.95Å | |
| N61 | HO83 | sing | 0.97Å | 1.00Å | |
| C60 | HO84 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O6 | 112.6° | 109.2° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C2 | C1 | H1A | 108.4° | 109.5° |
| C1 | C2 | N3 | 109.2° | 109.2° |
| C1 | C2 | H2 | 109.6° | 109.5° |
| C1 | C2 | H2A | 109.6° | 109.4° |
| O6 | C1 | H1 | 108.4° | 109.5° |
| O6 | C1 | H1A | 108.4° | 109.4° |
| C1 | O6 | C5 | 112.2° | 113.7° |
| H1 | C1 | H1A | 110.5° | 109.6° |
| N3 | C2 | H2 | 109.6° | 109.5° |
| N3 | C2 | H2A | 109.5° | 109.5° |
| C2 | N3 | C13 | 111.5° | 111.0° |
| C2 | N3 | C4 | 107.6° | 110.8° |
| H2 | C2 | H2A | 109.4° | 109.6° |
| C13 | N3 | C4 | 111.4° | 111.0° |
| N3 | C13 | C14 | 113.2° | 109.5° |
| N3 | C13 | H13 | 108.3° | 109.5° |
| N3 | C13 | H13A | 108.3° | 109.5° |
| N3 | C4 | C5 | 110.9° | 109.3° |
| N3 | C4 | H4 | 109.0° | 109.5° |
| N3 | C4 | H4A | 109.0° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C5 | C4 | H4A | 109.0° | 109.5° |
| C4 | C5 | O6 | 107.5° | 109.3° |
| C4 | C5 | H5 | 110.1° | 109.5° |
| C4 | C5 | H5A | 110.1° | 109.5° |
| H4 | C4 | H4A | 109.9° | 109.5° |
| O6 | C5 | H5 | 110.1° | 109.5° |
| O6 | C5 | H5A | 110.1° | 109.6° |
| H5 | C5 | H5A | 108.8° | 109.5° |
| C14 | C13 | H13 | 108.2° | 109.5° |
| C14 | C13 | H13A | 108.3° | 109.4° |
| C13 | C14 | C15 | 113.7° | 109.5° |
| C13 | C14 | H14 | 108.1° | 109.5° |
| C13 | C14 | H14A | 108.1° | 109.5° |
| H13 | C13 | H13A | 110.7° | 109.5° |
| C15 | C14 | H14 | 108.1° | 109.5° |
| C15 | C14 | H14A | 108.1° | 109.4° |
| C14 | C15 | N16 | 110.1° | 109.5° |
| C14 | C15 | H15 | 109.2° | 109.5° |
| C14 | C15 | H15A | 109.2° | 109.5° |
| H14 | C14 | H14A | 110.8° | 109.5° |
| N16 | C15 | H15 | 109.3° | 109.4° |
| N16 | C15 | H15A | 109.2° | 109.5° |
| C15 | N16 | C17 | 122.9° | 120.0° |
| C15 | N16 | HN16 | 105.2° | 120.0° |
| H15 | C15 | H15A | 109.7° | 109.5° |
| C17 | N16 | HN16 | 105.2° | 120.0° |
| N16 | C17 | N26 | 124.9° | 125.1° |
| N16 | C17 | N23 | 122.3° | 125.0° |
| N26 | C17 | N23 | 112.8° | 109.9° |
| C17 | N26 | C25 | 106.9° | 107.2° |
| C17 | N26 | C41 | 126.1° | 126.4° |
| C17 | N23 | C24 | 105.0° | 109.6° |
| N23 | C24 | C25 | 109.0° | 107.1° |
| N23 | C24 | C35 | 131.2° | 133.4° |
| C25 | C24 | C35 | 119.8° | 119.5° |
| C24 | C25 | N26 | 106.3° | 106.2° |
| C24 | C25 | C32 | 123.0° | 119.9° |
| C24 | C35 | C34 | 118.8° | 119.8° |
| C24 | C35 | H35 | 120.6° | 120.1° |
| N26 | C25 | C32 | 130.7° | 133.9° |
| C25 | N26 | C41 | 127.0° | 126.4° |
| C25 | C32 | C33 | 116.5° | 119.8° |
| C25 | C32 | H32 | 121.7° | 120.1° |
| N26 | C41 | C42 | 115.2° | 109.5° |
| N26 | C41 | H41 | 107.6° | 109.5° |
| N26 | C41 | H41A | 107.6° | 109.5° |
| C33 | C32 | H32 | 121.7° | 120.1° |
| C32 | C33 | C34 | 120.7° | 120.5° |
| C32 | C33 | C60 | 121.9° | 119.8° |
| C34 | C33 | C60 | 117.3° | 119.8° |
| C33 | C34 | C35 | 121.3° | 120.5° |
| C33 | C34 | H34 | 119.4° | 119.7° |
| C33 | C60 | N61 | 115.5° | 109.4° |
| C33 | C60 | H60 | 107.5° | 109.4° |
| C33 | C60 | HO84 | 107.5° | 109.5° |
| C35 | C34 | H34 | 119.4° | 119.8° |
| C34 | C35 | H35 | 120.6° | 120.1° |
| C42 | C41 | H41 | 107.6° | 109.5° |
| C42 | C41 | H41A | 107.6° | 109.4° |
| C41 | C42 | C45 | 121.6° | 119.7° |
| C41 | C42 | N49 | 115.1° | 119.6° |
| H41 | C41 | H41A | 111.3° | 109.5° |
| C45 | C42 | N49 | 123.3° | 120.7° |
| C42 | C45 | O56 | 117.0° | 120.5° |
| C42 | C45 | C46 | 120.3° | 119.1° |
| C42 | N49 | C48 | 117.8° | 121.7° |
| O56 | C45 | C46 | 122.6° | 120.5° |
| C45 | O56 | HO56 | 109.5° | 114.0° |
| C45 | C46 | C47 | 116.1° | 118.4° |
| C45 | C46 | H46 | 121.9° | 120.8° |
| C47 | C46 | H46 | 122.0° | 120.8° |
| C46 | C47 | C48 | 121.6° | 119.2° |
| C46 | C47 | H47 | 119.2° | 120.4° |
| C48 | C47 | H47 | 119.2° | 120.4° |
| C47 | C48 | N49 | 120.8° | 120.9° |
| C47 | C48 | C58 | 121.6° | 119.6° |
| N49 | C48 | C58 | 117.6° | 119.6° |
| C48 | C58 | H58 | 109.5° | 109.5° |
| C48 | C58 | H58A | 109.5° | 109.5° |
| C48 | C58 | H58B | 109.4° | 109.5° |
| H58 | C58 | H58A | 109.5° | 109.4° |
| H58 | C58 | H58B | 109.5° | 109.4° |
| H58A | C58 | H58B | 109.5° | 109.5° |
| N61 | C60 | H60 | 107.5° | 109.5° |
| C60 | N61 | C62 | 121.5° | 119.9° |
| C60 | N61 | HO83 | 105.6° | 120.0° |
| N61 | C60 | HO84 | 107.5° | 109.5° |
| H60 | C60 | HO84 | 111.3° | 109.5° |
| N61 | C62 | C70 | 122.1° | 120.0° |
| N61 | C62 | C66 | 120.0° | 120.1° |
| C62 | N61 | HO83 | 105.7° | 120.0° |
| C70 | C62 | C66 | 117.9° | 119.9° |
| C62 | C70 | C69 | 120.6° | 119.9° |
| C62 | C70 | C79 | 121.5° | 120.1° |
| C62 | C66 | C67 | 121.5° | 119.9° |
| C62 | C66 | H66 | 119.3° | 120.0° |
| C67 | C66 | H66 | 119.3° | 120.1° |
| C66 | C67 | C68 | 119.3° | 120.1° |
| C66 | C67 | C77 | 121.0° | 119.9° |
| C68 | C67 | C77 | 119.7° | 120.0° |
| C67 | C68 | C69 | 119.7° | 120.2° |
| C67 | C68 | H68 | 120.2° | 119.9° |
| C67 | C77 | H77 | 109.5° | 109.5° |
| C67 | C77 | H77A | 109.5° | 109.5° |
| C67 | C77 | H77B | 109.5° | 109.5° |
| C69 | C68 | H68 | 120.1° | 119.9° |
| C68 | C69 | C70 | 121.0° | 120.0° |
| C68 | C69 | H69 | 119.5° | 120.0° |
| C70 | C69 | H69 | 119.5° | 119.9° |
| C69 | C70 | C79 | 117.9° | 120.0° |
| C70 | C79 | C80 | 114.3° | 109.5° |
| C70 | C79 | H79 | 107.9° | 109.5° |
| C70 | C79 | H79A | 107.9° | 109.5° |
| H77 | C77 | H77A | 109.5° | 109.5° |
| H77 | C77 | H77B | 109.5° | 109.4° |
| H77A | C77 | H77B | 109.5° | 109.5° |
| C80 | C79 | H79 | 107.9° | 109.5° |
| C80 | C79 | H79A | 107.9° | 109.4° |
| C79 | C80 | C81 | 115.0° | 109.5° |
| C79 | C80 | H80 | 107.7° | 109.5° |
| C79 | C80 | H80A | 107.7° | 109.5° |
| H79 | C79 | H79A | 111.0° | 109.4° |
| C81 | C80 | H80 | 107.7° | 109.5° |
| C81 | C80 | H80A | 107.7° | 109.5° |
| C80 | C81 | O82 | 110.1° | 109.5° |
| C80 | C81 | H81 | 109.2° | 109.5° |
| C80 | C81 | H81A | 109.3° | 109.4° |
| H80 | C80 | H80A | 111.2° | 109.5° |
| O82 | C81 | H81 | 109.3° | 109.5° |
| O82 | C81 | H81A | 109.3° | 109.5° |
| C81 | O82 | HO82 | 109.5° | 114.0° |
| H81 | C81 | H81A | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O6 | H1 | 120.0° | 120.0° |
| C2 | C1 | O6 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1A | 118.7° | 120.1° |
| C1 | C2 | N3 | H2 | 120.0° | 120.0° |
| C1 | C2 | N3 | H2A | 120.0° | 119.9° |
| C1 | C2 | H2 | H2A | 120.1° | 120.1° |
| C1 | C2 | N3 | C13 | 179.3° | 177.6° |
| C1 | C2 | N3 | C4 | 56.8° | 58.6° |
| C2 | C1 | O6 | C5 | 56.0° | 58.7° |
| O6 | C1 | H1 | H1A | 118.7° | 120.1° |
| O6 | C1 | C2 | N3 | 54.5° | 56.9° |
| O6 | C1 | C2 | H2 | 65.5° | 63.0° |
| O6 | C1 | C2 | H2A | 174.5° | 176.8° |
| C1 | O6 | C5 | C4 | 57.9° | 58.7° |
| C1 | O6 | C5 | H5 | 178.0° | 178.6° |
| C1 | O6 | C5 | H5A | 62.1° | 61.3° |
| H1 | C1 | C2 | N3 | 65.5° | 63.1° |
| H1 | C1 | C2 | H2 | 174.5° | 177.0° |
| H1 | C1 | C2 | H2A | 54.5° | 56.9° |
| H1 | C1 | O6 | C5 | 64.0° | 61.2° |
| H1A | C1 | C2 | N3 | 174.5° | 176.7° |
| H1A | C1 | C2 | H2 | 54.5° | 56.8° |
| H1A | C1 | C2 | H2A | 65.5° | 63.4° |
| H1A | C1 | O6 | C5 | 176.0° | 178.6° |
| N3 | C2 | H2 | H2A | 120.1° | 120.2° |
| C2 | N3 | C13 | C4 | 120.2° | 123.7° |
| C2 | N3 | C4 | C5 | 62.9° | 58.6° |
| C2 | N3 | C4 | H4 | 57.1° | 61.3° |
| C2 | N3 | C4 | H4A | 177.1° | 178.6° |
| C2 | N3 | C13 | C14 | 157.8° | 170.0° |
| C2 | N3 | C13 | H13 | 82.2° | 70.0° |
| C2 | N3 | C13 | H13A | 37.8° | 50.0° |
| H2 | C2 | N3 | C13 | 59.3° | 62.5° |
| H2 | C2 | N3 | C4 | 63.1° | 61.3° |
| H2A | C2 | N3 | C13 | 60.7° | 57.7° |
| H2A | C2 | N3 | C4 | 176.8° | 178.5° |
| C13 | N3 | C4 | C5 | 174.7° | 177.6° |
| C13 | N3 | C4 | H4 | 65.3° | 62.5° |
| C13 | N3 | C4 | H4A | 54.7° | 57.6° |
| N3 | C13 | C14 | H13 | 120.0° | 120.0° |
| N3 | C13 | C14 | H13A | 120.0° | 120.0° |
| N3 | C13 | H13 | H13A | 118.5° | 120.0° |
| N3 | C13 | C14 | C15 | 165.7° | 180.0° |
| N3 | C13 | C14 | H14 | 45.7° | 60.0° |
| N3 | C13 | C14 | H14A | 74.3° | 60.0° |
| N3 | C4 | C5 | H4 | 120.0° | 119.9° |
| N3 | C4 | C5 | H4A | 120.0° | 120.0° |
| N3 | C4 | H4 | H4A | 119.4° | 120.1° |
| N3 | C4 | C5 | O6 | 62.7° | 56.9° |
| N3 | C4 | C5 | H5 | 177.3° | 176.8° |
| N3 | C4 | C5 | H5A | 57.3° | 63.2° |
| C4 | N3 | C13 | C14 | 82.0° | 66.4° |
| C4 | N3 | C13 | H13 | 38.0° | 53.6° |
| C4 | N3 | C13 | H13A | 158.0° | 173.7° |
| C5 | C4 | H4 | H4A | 119.4° | 120.1° |
| C4 | C5 | O6 | H5 | 120.0° | 119.9° |
| C4 | C5 | O6 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5A | 120.8° | 120.1° |
| H4 | C4 | C5 | O6 | 57.3° | 63.1° |
| H4 | C4 | C5 | H5 | 62.7° | 56.8° |
| H4 | C4 | C5 | H5A | 177.4° | 176.9° |
| H4A | C4 | C5 | O6 | 177.3° | 176.9° |
| H4A | C4 | C5 | H5 | 57.3° | 63.2° |
| H4A | C4 | C5 | H5A | 62.7° | 56.8° |
| O6 | C5 | H5 | H5A | 120.8° | 120.2° |
| C14 | C13 | H13 | H13A | 118.5° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 118.2° | 120.1° |
| C13 | C14 | C15 | N16 | 70.5° | 180.0° |
| C13 | C14 | C15 | H15 | 49.6° | 60.0° |
| C13 | C14 | C15 | H15A | 169.6° | 60.0° |
| H13 | C13 | C14 | C15 | 74.3° | 60.0° |
| H13 | C13 | C14 | H14 | 165.7° | 180.0° |
| H13 | C13 | C14 | H14A | 45.7° | 60.0° |
| H13A | C13 | C14 | C15 | 45.7° | 60.0° |
| H13A | C13 | C14 | H14 | 74.3° | 60.0° |
| H13A | C13 | C14 | H14A | 165.7° | 180.0° |
| C15 | C14 | H14 | H14A | 118.3° | 119.9° |
| C14 | C15 | N16 | H15 | 120.0° | 120.1° |
| C14 | C15 | N16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 119.7° | 120.0° |
| C14 | C15 | N16 | C17 | 97.8° | 180.0° |
| C14 | C15 | N16 | HN16 | 22.2° | 0.0° |
| H14 | C14 | C15 | N16 | 169.6° | 60.0° |
| H14 | C14 | C15 | H15 | 70.4° | 180.0° |
| H14 | C14 | C15 | H15A | 49.6° | 60.0° |
| H14A | C14 | C15 | N16 | 49.5° | 60.0° |
| H14A | C14 | C15 | H15 | 169.6° | 60.0° |
| H14A | C14 | C15 | H15A | 70.4° | 180.0° |
| N16 | C15 | H15 | H15A | 119.7° | 119.9° |
| C15 | N16 | C17 | HN16 | 120.0° | 180.0° |
| C15 | N16 | C17 | N26 | 176.8° | 179.7° |
| C15 | N16 | C17 | N23 | 2.1° | 0.0° |
| H15 | C15 | N16 | C17 | 142.2° | 60.0° |
| H15 | C15 | N16 | HN16 | 97.8° | 120.0° |
| H15A | C15 | N16 | C17 | 22.2° | 60.0° |
| H15A | C15 | N16 | HN16 | 142.2° | 120.0° |
| N16 | C17 | N26 | N23 | 178.9° | 179.8° |
| N16 | C17 | N23 | C24 | 179.7° | 180.0° |
| N16 | C17 | N26 | C25 | 179.9° | 179.8° |
| N16 | C17 | N26 | C41 | 3.4° | 0.0° |
| HN16 | N16 | C17 | N26 | 63.2° | 0.3° |
| HN16 | N16 | C17 | N23 | 117.9° | 180.0° |
| N26 | C17 | N23 | C24 | 0.7° | 0.2° |
| C17 | N26 | C25 | C24 | 1.2° | 0.4° |
| C17 | N26 | C25 | C41 | 176.7° | 179.9° |
| C17 | N26 | C25 | C32 | 179.8° | 180.0° |
| C17 | N26 | C41 | C42 | 120.9° | 85.0° |
| C17 | N26 | C41 | H41 | 0.9° | 35.1° |
| C17 | N26 | C41 | H41A | 119.1° | 155.1° |
| C17 | N23 | C24 | C25 | 0.1° | 0.0° |
| C17 | N23 | C24 | C35 | 178.6° | 180.0° |
| N23 | C17 | N26 | C25 | 1.2° | 0.4° |
| N23 | C17 | N26 | C41 | 175.6° | 179.7° |
| N23 | C24 | C25 | C35 | 178.7° | 180.0° |
| N23 | C24 | C25 | N26 | 0.8° | 0.3° |
| N23 | C24 | C25 | C32 | 179.6° | 180.0° |
| N23 | C24 | C35 | C34 | 179.5° | 180.0° |
| N23 | C24 | C35 | H35 | 0.5° | 0.0° |
| C24 | C25 | N26 | C32 | 178.6° | 179.7° |
| C24 | C25 | N26 | C41 | 175.5° | 179.7° |
| C24 | C25 | C32 | C33 | 0.3° | 0.1° |
| C24 | C25 | C32 | H32 | 179.7° | 180.0° |
| C25 | C24 | C35 | C34 | 1.1° | 0.0° |
| C25 | C24 | C35 | H35 | 178.9° | 180.0° |
| C35 | C24 | C25 | N26 | 179.5° | 179.8° |
| C35 | C24 | C25 | C32 | 1.7° | 0.1° |
| C24 | C35 | C34 | C33 | 0.9° | 0.0° |
| C24 | C35 | C34 | H35 | 180.0° | 180.0° |
| C24 | C35 | C34 | H34 | 179.1° | 180.0° |
| N26 | C25 | C32 | C33 | 178.7° | 179.7° |
| N26 | C25 | C32 | H32 | 1.3° | 0.3° |
| C25 | N26 | C41 | C42 | 63.0° | 95.2° |
| C25 | N26 | C41 | H41 | 177.0° | 144.8° |
| C25 | N26 | C41 | H41A | 57.0° | 24.8° |
| C32 | C25 | N26 | C41 | 3.1° | 0.1° |
| C25 | C32 | C33 | H32 | 180.0° | 180.0° |
| C25 | C32 | C33 | C34 | 1.8° | 0.0° |
| C25 | C32 | C33 | C60 | 178.9° | 180.0° |
| N26 | C41 | C42 | H41 | 120.0° | 120.0° |
| N26 | C41 | C42 | H41A | 120.0° | 120.0° |
| N26 | C41 | H41 | H41A | 117.6° | 120.0° |
| N26 | C41 | C42 | C45 | 56.5° | 95.7° |
| N26 | C41 | C42 | N49 | 123.1° | 84.0° |
| C32 | C33 | C34 | C60 | 177.2° | 180.0° |
| C32 | C33 | C34 | C35 | 2.4° | 0.0° |
| C32 | C33 | C34 | H34 | 177.6° | 180.0° |
| C32 | C33 | C60 | N61 | 3.6° | 90.0° |
| C32 | C33 | C60 | H60 | 123.6° | 150.0° |
| C32 | C33 | C60 | HO84 | 116.4° | 30.0° |
| H32 | C32 | C33 | C34 | 178.3° | 180.0° |
| H32 | C32 | C33 | C60 | 1.2° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35 | 179.1° | 180.0° |
| C34 | C33 | C60 | N61 | 179.2° | 90.0° |
| C34 | C33 | C60 | H60 | 59.2° | 30.0° |
| C34 | C33 | C60 | HO84 | 60.8° | 150.0° |
| C60 | C33 | C34 | C35 | 179.7° | 180.0° |
| C60 | C33 | C34 | H34 | 0.3° | 0.0° |
| C33 | C60 | N61 | H60 | 120.0° | 119.9° |
| C33 | C60 | N61 | HO84 | 120.0° | 120.0° |
| C33 | C60 | H60 | HO84 | 117.5° | 120.0° |
| C33 | C60 | N61 | C62 | 172.9° | 180.0° |
| C33 | C60 | N61 | HO83 | 52.9° | 0.0° |
| H34 | C34 | C35 | H35 | 0.9° | 0.0° |
| C42 | C41 | H41 | H41A | 117.6° | 119.9° |
| C41 | C42 | C45 | N49 | 179.5° | 179.7° |
| C41 | C42 | C45 | O56 | 1.5° | 0.0° |
| C41 | C42 | C45 | C46 | 177.6° | 180.0° |
| C41 | C42 | N49 | C48 | 178.0° | 179.7° |
| H41 | C41 | C42 | C45 | 63.6° | 144.3° |
| H41 | C41 | C42 | N49 | 116.9° | 36.0° |
| H41A | C41 | C42 | C45 | 176.5° | 24.3° |
| H41A | C41 | C42 | N49 | 3.1° | 156.0° |
| C42 | C45 | O56 | C46 | 176.0° | 180.0° |
| C42 | C45 | C46 | C47 | 3.0° | 0.0° |
| C42 | C45 | C46 | H46 | 177.0° | 179.9° |
| C45 | C42 | N49 | C48 | 2.5° | 0.6° |
| C42 | C45 | O56 | HO56 | 180.0° | 95.4° |
| N49 | C42 | C45 | O56 | 179.0° | 179.7° |
| N49 | C42 | C45 | C46 | 2.9° | 0.3° |
| C42 | N49 | C48 | C47 | 2.4° | 0.5° |
| C42 | N49 | C48 | C58 | 179.6° | 179.7° |
| O56 | C45 | C46 | C47 | 178.9° | 179.9° |
| O56 | C45 | C46 | H46 | 1.1° | 0.0° |
| C45 | C46 | C47 | H46 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 3.0° | 0.1° |
| C45 | C46 | C47 | H47 | 177.0° | 180.0° |
| C46 | C45 | O56 | HO56 | 4.0° | 84.7° |
| C46 | C47 | C48 | H47 | 180.0° | 179.9° |
| C46 | C47 | C48 | N49 | 2.8° | 0.2° |
| C46 | C47 | C48 | C58 | 179.3° | 180.0° |
| H46 | C46 | C47 | C48 | 177.0° | 180.0° |
| H46 | C46 | C47 | H47 | 3.0° | 0.1° |
| C47 | C48 | N49 | C58 | 178.0° | 179.8° |
| C47 | C48 | C58 | H58 | 178.0° | 90.1° |
| C47 | C48 | C58 | H58A | 58.0° | 150.0° |
| C47 | C48 | C58 | H58B | 62.0° | 29.9° |
| H47 | C47 | C48 | N49 | 177.2° | 179.7° |
| H47 | C47 | C48 | C58 | 0.7° | 0.1° |
| N49 | C48 | C58 | H58 | 0.0° | 89.8° |
| N49 | C48 | C58 | H58A | 120.0° | 30.2° |
| N49 | C48 | C58 | H58B | 120.0° | 150.3° |
| C48 | C58 | H58 | H58A | 120.0° | 120.0° |
| C48 | C58 | H58 | H58B | 120.0° | 120.0° |
| C48 | C58 | H58A | H58B | 120.0° | 120.1° |
| H58 | C58 | H58A | H58B | 120.0° | 119.9° |
| N61 | C60 | H60 | HO84 | 117.5° | 120.1° |
| C60 | N61 | C62 | HO83 | 120.0° | 180.0° |
| C60 | N61 | C62 | C70 | 179.6° | 179.7° |
| C60 | N61 | C62 | C66 | 0.2° | 0.0° |
| H60 | C60 | N61 | C62 | 67.1° | 60.0° |
| H60 | C60 | N61 | HO83 | 172.9° | 120.0° |
| N61 | C62 | C70 | C66 | 179.8° | 179.7° |
| N61 | C62 | C66 | C67 | 179.5° | 180.0° |
| N61 | C62 | C66 | H66 | 0.5° | 0.1° |
| N61 | C62 | C70 | C69 | 178.5° | 179.7° |
| N61 | C62 | C70 | C79 | 1.6° | 0.1° |
| C62 | N61 | C60 | HO84 | 52.9° | 60.0° |
| C70 | C62 | C66 | C67 | 0.7° | 0.3° |
| C70 | C62 | C66 | H66 | 179.3° | 179.7° |
| C62 | C70 | C69 | C68 | 3.1° | 0.6° |
| C62 | C70 | C69 | C79 | 177.0° | 179.7° |
| C62 | C70 | C69 | H69 | 176.9° | 179.7° |
| C62 | C70 | C79 | C80 | 97.1° | 84.9° |
| C62 | C70 | C79 | H79 | 142.9° | 155.0° |
| C62 | C70 | C79 | H79A | 22.9° | 35.1° |
| C70 | C62 | N61 | HO83 | 60.4° | 0.3° |
| C62 | C66 | C67 | H66 | 180.0° | 179.9° |
| C62 | C66 | C67 | C68 | 0.9° | 0.1° |
| C62 | C66 | C67 | C77 | 178.7° | 180.0° |
| C66 | C62 | C70 | C69 | 1.8° | 0.6° |
| C66 | C62 | C70 | C79 | 178.6° | 179.7° |
| C66 | C62 | N61 | HO83 | 119.8° | 180.0° |
| C66 | C67 | C68 | C77 | 177.8° | 180.0° |
| C66 | C67 | C68 | C69 | 2.2° | 0.1° |
| C66 | C67 | C68 | H68 | 177.8° | 179.9° |
| C66 | C67 | C77 | H77 | 91.2° | 90.0° |
| C66 | C67 | C77 | H77A | 148.8° | 150.0° |
| C66 | C67 | C77 | H77B | 28.8° | 30.0° |
| H66 | C66 | C67 | C68 | 179.1° | 180.0° |
| H66 | C66 | C67 | C77 | 1.3° | 0.1° |
| C67 | C68 | C69 | H68 | 180.0° | 179.9° |
| C67 | C68 | C69 | C70 | 3.3° | 0.4° |
| C67 | C68 | C69 | H69 | 176.7° | 180.0° |
| C68 | C67 | C77 | H77 | 91.1° | 90.0° |
| C68 | C67 | C77 | H77A | 28.9° | 30.0° |
| C68 | C67 | C77 | H77B | 148.9° | 150.1° |
| C77 | C67 | C68 | C69 | 180.0° | 180.0° |
| C77 | C67 | C68 | H68 | 0.0° | 0.1° |
| C67 | C77 | H77 | H77A | 120.0° | 120.0° |
| C67 | C77 | H77 | H77B | 120.0° | 120.0° |
| C67 | C77 | H77A | H77B | 120.0° | 120.0° |
| C68 | C69 | C70 | H69 | 180.0° | 179.7° |
| C68 | C69 | C70 | C79 | 179.9° | 179.7° |
| H68 | C68 | C69 | C70 | 176.7° | 179.8° |
| H68 | C68 | C69 | H69 | 3.3° | 0.1° |
| C69 | C70 | C79 | C80 | 86.0° | 94.7° |
| C69 | C70 | C79 | H79 | 34.0° | 25.3° |
| C69 | C70 | C79 | H79A | 154.0° | 145.3° |
| H69 | C69 | C70 | C79 | 0.1° | 0.1° |
| C70 | C79 | C80 | H79 | 120.0° | 120.1° |
| C70 | C79 | C80 | H79A | 120.0° | 120.0° |
| C70 | C79 | H79 | H79A | 118.0° | 120.0° |
| C70 | C79 | C80 | C81 | 55.0° | 180.0° |
| C70 | C79 | C80 | H80 | 65.0° | 60.0° |
| C70 | C79 | C80 | H80A | 175.0° | 60.0° |
| H77 | C77 | H77A | H77B | 120.0° | 119.9° |
| C80 | C79 | H79 | H79A | 118.0° | 119.9° |
| C79 | C80 | C81 | H80 | 120.0° | 120.0° |
| C79 | C80 | C81 | H80A | 120.0° | 120.0° |
| C79 | C80 | H80 | H80A | 117.7° | 120.0° |
| C79 | C80 | C81 | O82 | 59.2° | 180.0° |
| C79 | C80 | C81 | H81 | 60.8° | 60.0° |
| C79 | C80 | C81 | H81A | 179.2° | 60.0° |
| H79 | C79 | C80 | C81 | 175.0° | 59.9° |
| H79 | C79 | C80 | H80 | 55.0° | 180.0° |
| H79 | C79 | C80 | H80A | 65.0° | 60.1° |
| H79A | C79 | C80 | C81 | 65.0° | 60.0° |
| H79A | C79 | C80 | H80 | 175.0° | 60.0° |
| H79A | C79 | C80 | H80A | 55.0° | 180.0° |
| C81 | C80 | H80 | H80A | 117.7° | 120.0° |
| C80 | C81 | O82 | H81 | 120.0° | 120.0° |
| C80 | C81 | O82 | H81A | 120.0° | 120.0° |
| C80 | C81 | H81 | H81A | 119.7° | 120.0° |
| C80 | C81 | O82 | HO82 | 180.0° | 180.0° |
| H80 | C80 | C81 | O82 | 179.2° | 60.0° |
| H80 | C80 | C81 | H81 | 59.2° | 180.0° |
| H80 | C80 | C81 | H81A | 60.8° | 60.0° |
| H80A | C80 | C81 | O82 | 60.8° | 60.0° |
| H80A | C80 | C81 | H81 | 179.2° | 60.0° |
| H80A | C80 | C81 | H81A | 59.2° | 180.0° |
| O82 | C81 | H81 | H81A | 119.8° | 120.0° |
| H81 | C81 | O82 | HO82 | 60.0° | 60.0° |
| H81A | C81 | O82 | HO82 | 60.0° | 60.0° |
| HO83 | N61 | C60 | HO84 | 67.2° | 120.0° |
