919
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | N49 | sing | 1.40Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.39Å | Aromatic |
| C4 | N10 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | N10 | doub | 1.31Å | 1.35Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
| C22 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N23 | C24 | sing | 1.33Å | 1.35Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C70 | sing | 1.48Å | 1.50Å | |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | O65 | sing | 1.36Å | 1.38Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C39 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | O65 | sing | 1.36Å | 1.37Å | |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.39Å | 1.38Å | Aromatic |
| C38 | F68 | sing | 1.35Å | 1.33Å | |
| C39 | N60 | sing | 1.40Å | 1.36Å | |
| C46 | C47 | sing | 1.40Å | 1.38Å | Aromatic |
| C46 | N50 | doub | 1.31Å | 1.34Å | Aromatic |
| C46 | C79 | sing | 1.51Å | 1.52Å | |
| C47 | C48 | doub | 1.36Å | 1.38Å | Aromatic |
| C48 | N49 | sing | 1.36Å | 1.36Å | Aromatic |
| C48 | N56 | sing | 1.39Å | 1.37Å | |
| N49 | N50 | sing | 1.40Å | 1.41Å | Aromatic |
| N56 | C58 | sing | 1.35Å | 1.36Å | |
| C58 | N60 | sing | 1.35Å | 1.34Å | |
| C58 | O63 | doub | 1.22Å | 1.23Å | |
| C70 | O72 | doub | 1.22Å | 1.20Å | |
| C70 | N74 | sing | 1.35Å | 1.33Å | |
| N74 | C76 | sing | 1.46Å | 1.45Å | |
| C79 | C81 | sing | 1.53Å | 1.52Å | |
| C79 | C83 | sing | 1.53Å | 1.52Å | |
| C79 | C85 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| N56 | HN56 | sing | 0.97Å | 1.00Å | |
| N60 | HN60 | sing | 0.97Å | 1.00Å | |
| N74 | HN74 | sing | 0.97Å | 1.00Å | |
| C76 | H76 | sing | 1.09Å | 1.10Å | |
| C76 | H76A | sing | 1.09Å | 1.10Å | |
| C76 | H76B | sing | 1.09Å | 1.10Å | |
| C81 | H81 | sing | 1.09Å | 1.10Å | |
| C81 | H81A | sing | 1.09Å | 1.10Å | |
| C81 | H81B | sing | 1.09Å | 1.10Å | |
| C83 | H83 | sing | 1.09Å | 1.10Å | |
| C83 | H83A | sing | 1.09Å | 1.10Å | |
| C83 | H83B | sing | 1.09Å | 1.10Å | |
| C85 | H85 | sing | 1.09Å | 1.10Å | |
| C85 | H85A | sing | 1.09Å | 1.10Å | |
| C85 | H85B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 115.0° | 120.5° |
| C2 | C1 | N49 | 118.2° | 119.7° |
| C1 | C2 | C3 | 123.0° | 121.0° |
| C1 | C2 | H2 | 118.5° | 119.5° |
| C6 | C1 | N49 | 126.8° | 119.8° |
| C1 | C6 | C5 | 122.2° | 119.5° |
| C1 | C6 | H6 | 118.9° | 120.2° |
| C1 | N49 | C48 | 123.4° | 126.1° |
| C1 | N49 | N50 | 115.2° | 126.1° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C3 | C2 | H2 | 118.5° | 119.5° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | 117.8° | 119.3° |
| C3 | C4 | N10 | 119.0° | 120.9° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C5 | C4 | N10 | 120.6° | 119.8° |
| C4 | C5 | C6 | 120.2° | 119.7° |
| C4 | C5 | C13 | 118.9° | 119.0° |
| C4 | N10 | C9 | 121.1° | 121.4° |
| C6 | C5 | C13 | 120.8° | 121.3° |
| C5 | C6 | H6 | 118.9° | 120.3° |
| C5 | C13 | C14 | 119.3° | 118.2° |
| C5 | C13 | H13 | 120.3° | 120.9° |
| N10 | C9 | C14 | 120.0° | 121.8° |
| N10 | C9 | H9 | 120.0° | 119.1° |
| C9 | C14 | C13 | 118.9° | 119.9° |
| C14 | C9 | H9 | 120.0° | 119.1° |
| C9 | C14 | H14 | 120.6° | 120.1° |
| C14 | C13 | H13 | 120.4° | 120.9° |
| C13 | C14 | H14 | 120.5° | 120.0° |
| N23 | C22 | C27 | 121.1° | 120.9° |
| C22 | N23 | C24 | 121.2° | 121.8° |
| N23 | C22 | H22 | 119.5° | 119.5° |
| C22 | C27 | C26 | 119.4° | 119.3° |
| C27 | C22 | H22 | 119.5° | 119.5° |
| C22 | C27 | H27 | 120.3° | 120.4° |
| N23 | C24 | C25 | 120.0° | 120.6° |
| N23 | C24 | C70 | 119.2° | 119.7° |
| C25 | C24 | C70 | 120.8° | 119.7° |
| C24 | C25 | C26 | 119.4° | 119.0° |
| C24 | C25 | H25 | 120.3° | 120.5° |
| C24 | C70 | O72 | 118.3° | 120.0° |
| C24 | C70 | N74 | 120.4° | 120.0° |
| C25 | C26 | C27 | 119.0° | 118.4° |
| C25 | C26 | O65 | 119.7° | 120.8° |
| C26 | C25 | H25 | 120.3° | 120.5° |
| C27 | C26 | O65 | 121.3° | 120.8° |
| C26 | C27 | H27 | 120.3° | 120.3° |
| C26 | O65 | C36 | 127.0° | 118.0° |
| C35 | C34 | C39 | 119.5° | 120.0° |
| C34 | C35 | C36 | 120.8° | 120.1° |
| C35 | C34 | H34 | 120.3° | 120.0° |
| C34 | C35 | H35 | 119.6° | 120.0° |
| C34 | C39 | C38 | 118.7° | 120.0° |
| C34 | C39 | N60 | 124.6° | 120.0° |
| C39 | C34 | H34 | 120.2° | 120.0° |
| C35 | C36 | C37 | 119.5° | 120.0° |
| C35 | C36 | O65 | 123.0° | 120.0° |
| C36 | C35 | H35 | 119.6° | 120.0° |
| C37 | C36 | O65 | 117.5° | 120.0° |
| C36 | C37 | C38 | 119.6° | 120.0° |
| C36 | C37 | H37 | 120.2° | 120.0° |
| C37 | C38 | C39 | 121.9° | 120.0° |
| C37 | C38 | F68 | 119.2° | 120.0° |
| C38 | C37 | H37 | 120.2° | 120.0° |
| C39 | C38 | F68 | 119.0° | 120.0° |
| C38 | C39 | N60 | 116.6° | 120.0° |
| C39 | N60 | C58 | 126.3° | 120.0° |
| C39 | N60 | HN60 | 116.8° | 120.0° |
| C47 | C46 | N50 | 114.0° | 108.5° |
| C47 | C46 | C79 | 122.2° | 125.8° |
| C46 | C47 | C48 | 105.2° | 107.9° |
| C46 | C47 | H47 | 127.4° | 126.1° |
| N50 | C46 | C79 | 122.9° | 125.8° |
| C46 | N50 | N49 | 102.2° | 108.4° |
| C46 | C79 | C81 | 107.9° | 109.4° |
| C46 | C79 | C83 | 110.8° | 109.5° |
| C46 | C79 | C85 | 110.0° | 109.5° |
| C47 | C48 | N49 | 106.8° | 107.4° |
| C47 | C48 | N56 | 134.3° | 126.2° |
| C48 | C47 | H47 | 127.4° | 126.1° |
| N49 | C48 | N56 | 118.8° | 126.3° |
| C48 | N49 | N50 | 111.7° | 107.8° |
| C48 | N56 | C58 | 124.7° | 120.1° |
| C48 | N56 | HN56 | 117.6° | 120.0° |
| N56 | C58 | N60 | 116.2° | 120.0° |
| N56 | C58 | O63 | 123.3° | 120.0° |
| C58 | N56 | HN56 | 117.7° | 120.0° |
| N60 | C58 | O63 | 120.4° | 120.0° |
| C58 | N60 | HN60 | 116.8° | 120.1° |
| O72 | C70 | N74 | 121.3° | 120.0° |
| C70 | N74 | C76 | 121.6° | 120.0° |
| C70 | N74 | HN74 | 119.2° | 120.0° |
| C76 | N74 | HN74 | 119.2° | 120.0° |
| N74 | C76 | H76 | 109.5° | 109.5° |
| N74 | C76 | H76A | 109.5° | 109.5° |
| N74 | C76 | H76B | 109.5° | 109.4° |
| C81 | C79 | C83 | 110.3° | 109.4° |
| C81 | C79 | C85 | 108.6° | 109.5° |
| C79 | C81 | H81 | 109.5° | 109.5° |
| C79 | C81 | H81A | 109.4° | 109.4° |
| C79 | C81 | H81B | 109.5° | 109.5° |
| C83 | C79 | C85 | 109.2° | 109.5° |
| C79 | C83 | H83 | 109.5° | 109.4° |
| C79 | C83 | H83A | 109.5° | 109.5° |
| C79 | C83 | H83B | 109.5° | 109.5° |
| C79 | C85 | H85 | 109.5° | 109.4° |
| C79 | C85 | H85A | 109.4° | 109.5° |
| C79 | C85 | H85B | 109.5° | 109.5° |
| H76 | C76 | H76A | 109.5° | 109.5° |
| H76 | C76 | H76B | 109.5° | 109.4° |
| H76A | C76 | H76B | 109.4° | 109.5° |
| H81 | C81 | H81A | 109.5° | 109.5° |
| H81 | C81 | H81B | 109.4° | 109.5° |
| H81A | C81 | H81B | 109.5° | 109.5° |
| H83 | C83 | H83A | 109.5° | 109.4° |
| H83 | C83 | H83B | 109.4° | 109.4° |
| H83A | C83 | H83B | 109.5° | 109.5° |
| H85 | C85 | H85A | 109.5° | 109.5° |
| H85 | C85 | H85B | 109.4° | 109.5° |
| H85A | C85 | H85B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N49 | 178.8° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 7.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | N49 | C48 | 156.7° | 35.0° |
| C2 | C1 | N49 | N50 | 60.2° | 145.0° |
| C1 | C2 | C3 | H3 | 173.0° | 179.9° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C5 | C4 | 6.4° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C13 | 175.3° | 180.0° |
| C6 | C1 | N49 | C48 | 22.0° | 144.7° |
| C6 | C1 | N49 | N50 | 121.0° | 35.3° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| N49 | C1 | C2 | C3 | 179.3° | 179.7° |
| N49 | C1 | C6 | C5 | 178.9° | 179.7° |
| C1 | N49 | N50 | C46 | 147.6° | 180.0° |
| C1 | N49 | C48 | C47 | 143.3° | 180.0° |
| C1 | N49 | C48 | N50 | 144.2° | 179.9° |
| C1 | N49 | C48 | N56 | 33.0° | 0.1° |
| N49 | C1 | C2 | H2 | 0.8° | 0.3° |
| N49 | C1 | C6 | H6 | 1.1° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 13.0° | 0.0° |
| C2 | C3 | C4 | N10 | 174.9° | 179.9° |
| C3 | C4 | C5 | N10 | 161.6° | 180.0° |
| C3 | C4 | C5 | C6 | 12.7° | 0.0° |
| C3 | C4 | C5 | C13 | 169.0° | 180.0° |
| C3 | C4 | N10 | C9 | 166.5° | 180.0° |
| C4 | C3 | C2 | H2 | 173.0° | 180.0° |
| C4 | C5 | C6 | C13 | 178.3° | 180.0° |
| C5 | C4 | N10 | C9 | 5.1° | 0.0° |
| C4 | C5 | C13 | C14 | 0.0° | 0.1° |
| C5 | C4 | C3 | H3 | 167.0° | 180.0° |
| C4 | C5 | C6 | H6 | 173.6° | 179.9° |
| C4 | C5 | C13 | H13 | 180.0° | 179.9° |
| N10 | C4 | C5 | C6 | 174.3° | 179.9° |
| N10 | C4 | C5 | C13 | 7.4° | 0.1° |
| C4 | N10 | C9 | C14 | 4.7° | 0.0° |
| N10 | C4 | C3 | H3 | 5.1° | 0.0° |
| C4 | N10 | C9 | H9 | 175.3° | 180.0° |
| C6 | C5 | C13 | C14 | 178.3° | 179.9° |
| C6 | C5 | C13 | H13 | 1.7° | 0.0° |
| C5 | C13 | C14 | C9 | 9.4° | 0.0° |
| C5 | C13 | C14 | H13 | 180.0° | 179.9° |
| C13 | C5 | C6 | H6 | 4.7° | 0.0° |
| C5 | C13 | C14 | H14 | 170.6° | 180.0° |
| N10 | C9 | C14 | H9 | 180.0° | 179.9° |
| N10 | C9 | C14 | C13 | 11.9° | 0.0° |
| N10 | C9 | C14 | H14 | 168.1° | 180.0° |
| C9 | C14 | C13 | H14 | 180.0° | 180.0° |
| C9 | C14 | C13 | H13 | 170.6° | 179.9° |
| C13 | C14 | C9 | H9 | 168.1° | 179.9° |
| N23 | C22 | C27 | H22 | 180.0° | 179.7° |
| C22 | N23 | C24 | C25 | 0.1° | 0.1° |
| C22 | N23 | C24 | C70 | 178.9° | 180.0° |
| N23 | C22 | C27 | C26 | 1.2° | 0.0° |
| N23 | C22 | C27 | H27 | 178.8° | 179.9° |
| C27 | C22 | N23 | C24 | 0.5° | 0.1° |
| C22 | C27 | C26 | C25 | 1.3° | 0.0° |
| C22 | C27 | C26 | H27 | 180.0° | 179.9° |
| C22 | C27 | C26 | O65 | 179.3° | 180.0° |
| N23 | C24 | C25 | C70 | 178.8° | 180.0° |
| N23 | C24 | C25 | C26 | 0.1° | 0.0° |
| N23 | C24 | C70 | O72 | 176.8° | 180.0° |
| N23 | C24 | C70 | N74 | 2.4° | 0.0° |
| C24 | N23 | C22 | H22 | 179.5° | 179.7° |
| N23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.8° | 0.0° |
| C24 | C25 | C26 | O65 | 178.8° | 180.0° |
| C25 | C24 | C70 | O72 | 2.0° | 0.0° |
| C25 | C24 | C70 | N74 | 178.8° | 180.0° |
| C70 | C24 | C25 | C26 | 178.7° | 180.0° |
| C24 | C70 | O72 | N74 | 179.2° | 180.0° |
| C24 | C70 | N74 | C76 | 164.0° | 180.0° |
| C70 | C24 | C25 | H25 | 1.3° | 0.0° |
| C24 | C70 | N74 | HN74 | 16.0° | 0.0° |
| C25 | C26 | C27 | O65 | 178.0° | 180.0° |
| C25 | C26 | O65 | C36 | 141.8° | 4.8° |
| C25 | C26 | C27 | H27 | 178.7° | 179.9° |
| C27 | C26 | O65 | C36 | 40.2° | 175.2° |
| C26 | C27 | C22 | H22 | 178.8° | 179.7° |
| C27 | C26 | C25 | H25 | 179.2° | 180.0° |
| C26 | O65 | C36 | C35 | 31.3° | 104.4° |
| C26 | O65 | C36 | C37 | 149.7° | 75.6° |
| O65 | C26 | C25 | H25 | 1.2° | 0.0° |
| O65 | C26 | C27 | H27 | 0.7° | 0.1° |
| C35 | C34 | C39 | H34 | 180.0° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.6° | 0.0° |
| C34 | C35 | C36 | O65 | 178.4° | 180.0° |
| C35 | C34 | C39 | C38 | 2.7° | 0.0° |
| C35 | C34 | C39 | N60 | 178.8° | 179.9° |
| C39 | C34 | C35 | C36 | 1.8° | 0.0° |
| C34 | C39 | C38 | C37 | 2.5° | 0.0° |
| C34 | C39 | C38 | N60 | 176.4° | 179.9° |
| C34 | C39 | C38 | F68 | 178.7° | 180.0° |
| C34 | C39 | N60 | C58 | 16.0° | 34.5° |
| C39 | C34 | C35 | H35 | 178.2° | 180.0° |
| C34 | C39 | N60 | HN60 | 163.9° | 145.6° |
| C35 | C36 | C37 | O65 | 179.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.3° | 0.0° |
| C36 | C35 | C34 | H34 | 178.2° | 179.7° |
| C35 | C36 | C37 | H37 | 179.7° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 1.3° | 0.0° |
| C36 | C37 | C38 | F68 | 179.9° | 179.9° |
| C37 | C36 | C35 | H35 | 179.4° | 180.0° |
| O65 | C36 | C37 | C38 | 178.7° | 180.0° |
| O65 | C36 | C35 | H35 | 1.7° | 0.0° |
| O65 | C36 | C37 | H37 | 1.3° | 0.0° |
| C37 | C38 | C39 | F68 | 178.9° | 179.9° |
| C37 | C38 | C39 | N60 | 178.9° | 180.0° |
| C38 | C39 | N60 | C58 | 167.8° | 145.5° |
| C38 | C39 | C34 | H34 | 177.3° | 179.7° |
| C39 | C38 | C37 | H37 | 178.7° | 180.0° |
| C38 | C39 | N60 | HN60 | 12.2° | 34.4° |
| F68 | C38 | C39 | N60 | 2.2° | 0.1° |
| F68 | C38 | C37 | H37 | 0.2° | 0.1° |
| C39 | N60 | C58 | N56 | 179.6° | 175.8° |
| C39 | N60 | C58 | HN60 | 180.0° | 179.9° |
| C39 | N60 | C58 | O63 | 1.0° | 4.3° |
| N60 | C39 | C34 | H34 | 1.2° | 0.3° |
| C47 | C46 | N50 | C79 | 170.0° | 179.8° |
| C46 | C47 | C48 | H47 | 180.0° | 179.9° |
| C46 | C47 | C48 | N49 | 1.6° | 0.1° |
| C46 | C47 | C48 | N56 | 177.1° | 180.0° |
| C47 | C46 | N50 | N49 | 1.4° | 0.0° |
| C47 | C46 | C79 | C81 | 25.5° | 75.0° |
| C47 | C46 | C79 | C83 | 95.4° | 165.1° |
| C47 | C46 | C79 | C85 | 143.8° | 45.0° |
| N50 | C46 | C47 | C48 | 2.0° | 0.1° |
| C46 | N50 | N49 | C48 | 0.3° | 0.0° |
| N50 | C46 | C79 | C81 | 165.4° | 105.3° |
| N50 | C46 | C79 | C83 | 73.8° | 14.7° |
| N50 | C46 | C79 | C85 | 47.1° | 134.7° |
| N50 | C46 | C47 | H47 | 178.0° | 180.0° |
| C79 | C46 | C47 | C48 | 168.1° | 179.7° |
| C79 | C46 | N50 | N49 | 168.6° | 179.7° |
| C46 | C79 | C81 | C83 | 121.2° | 120.0° |
| C46 | C79 | C81 | C85 | 119.2° | 120.0° |
| C46 | C79 | C83 | C85 | 121.3° | 120.0° |
| C79 | C46 | C47 | H47 | 11.9° | 0.2° |
| C46 | C79 | C81 | H81 | 180.0° | 60.0° |
| C46 | C79 | C81 | H81A | 60.0° | 180.0° |
| C46 | C79 | C81 | H81B | 60.0° | 60.0° |
| C46 | C79 | C83 | H83 | 180.0° | 60.0° |
| C46 | C79 | C83 | H83A | 60.0° | 180.0° |
| C46 | C79 | C83 | H83B | 60.0° | 59.9° |
| C46 | C79 | C85 | H85 | 180.0° | 60.0° |
| C46 | C79 | C85 | H85A | 60.0° | 180.0° |
| C46 | C79 | C85 | H85B | 60.0° | 60.0° |
| C47 | C48 | N49 | N56 | 176.3° | 179.9° |
| C47 | C48 | N49 | N50 | 0.9° | 0.1° |
| C47 | C48 | N56 | C58 | 8.8° | 0.1° |
| C47 | C48 | N56 | HN56 | 171.2° | 179.9° |
| N49 | C48 | N56 | C58 | 166.2° | 179.9° |
| N49 | C48 | C47 | H47 | 178.4° | 180.0° |
| N49 | C48 | N56 | HN56 | 13.8° | 0.0° |
| N56 | C48 | N49 | N50 | 177.2° | 179.9° |
| C48 | N56 | C58 | HN56 | 180.0° | 180.0° |
| C48 | N56 | C58 | N60 | 176.9° | 180.0° |
| C48 | N56 | C58 | O63 | 3.7° | 0.0° |
| N56 | C48 | C47 | H47 | 2.9° | 0.1° |
| N56 | C58 | N60 | O63 | 179.4° | 180.0° |
| N56 | C58 | N60 | HN60 | 0.4° | 4.2° |
| N60 | C58 | N56 | HN56 | 3.1° | 0.0° |
| O63 | C58 | N56 | HN56 | 176.3° | 180.0° |
| O63 | C58 | N60 | HN60 | 179.0° | 175.8° |
| O72 | C70 | N74 | C76 | 16.8° | 0.0° |
| O72 | C70 | N74 | HN74 | 163.2° | 180.0° |
| C70 | N74 | C76 | HN74 | 180.0° | 180.0° |
| C70 | N74 | C76 | H76 | 180.0° | 60.0° |
| C70 | N74 | C76 | H76A | 60.0° | 180.0° |
| C70 | N74 | C76 | H76B | 60.0° | 60.0° |
| N74 | C76 | H76 | H76A | 120.0° | 120.0° |
| N74 | C76 | H76 | H76B | 120.0° | 119.9° |
| N74 | C76 | H76A | H76B | 120.0° | 120.0° |
| C81 | C79 | C83 | C85 | 119.3° | 120.0° |
| C79 | C81 | H81 | H81A | 120.0° | 120.0° |
| C79 | C81 | H81 | H81B | 120.0° | 120.0° |
| C79 | C81 | H81A | H81B | 120.0° | 120.0° |
| C81 | C79 | C83 | H83 | 60.6° | 180.0° |
| C81 | C79 | C83 | H83A | 59.4° | 60.1° |
| C81 | C79 | C83 | H83B | 179.4° | 60.0° |
| C81 | C79 | C85 | H85 | 62.2° | 60.0° |
| C81 | C79 | C85 | H85A | 177.8° | 60.0° |
| C81 | C79 | C85 | H85B | 57.8° | 180.0° |
| C83 | C79 | C81 | H81 | 58.8° | 60.0° |
| C83 | C79 | C81 | H81A | 178.8° | 60.0° |
| C83 | C79 | C81 | H81B | 61.1° | 180.0° |
| C79 | C83 | H83 | H83A | 120.0° | 120.0° |
| C79 | C83 | H83 | H83B | 120.0° | 120.0° |
| C79 | C83 | H83A | H83B | 120.0° | 120.1° |
| C83 | C79 | C85 | H85 | 58.2° | 180.0° |
| C83 | C79 | C85 | H85A | 61.8° | 60.0° |
| C83 | C79 | C85 | H85B | 178.2° | 60.0° |
| C85 | C79 | C81 | H81 | 60.9° | 180.0° |
| C85 | C79 | C81 | H81A | 59.1° | 60.0° |
| C85 | C79 | C81 | H81B | 179.2° | 60.0° |
| C85 | C79 | C83 | H83 | 58.7° | 60.0° |
| C85 | C79 | C83 | H83A | 178.7° | 59.9° |
| C85 | C79 | C83 | H83B | 61.3° | 180.0° |
| C79 | C85 | H85 | H85A | 120.0° | 120.0° |
| C79 | C85 | H85 | H85B | 120.0° | 120.0° |
| C79 | C85 | H85A | H85B | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 7.0° | 0.0° |
| H9 | C9 | C14 | H14 | 11.8° | 0.1° |
| H13 | C13 | C14 | H14 | 9.4° | 0.1° |
| H22 | C22 | C27 | H27 | 1.2° | 0.3° |
| H34 | C34 | C35 | H35 | 1.8° | 0.3° |
| HN74 | N74 | C76 | H76 | 0.0° | 120.0° |
| HN74 | N74 | C76 | H76A | 120.0° | 0.0° |
| HN74 | N74 | C76 | H76B | 120.0° | 120.0° |
| H76 | C76 | H76A | H76B | 120.0° | 120.0° |
| H81 | C81 | H81A | H81B | 120.0° | 120.1° |
| H83 | C83 | H83A | H83B | 120.0° | 119.9° |
| H85 | C85 | H85A | H85B | 120.0° | 120.1° |
