MCJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.48Å | Aromatic |
| N1 | C19 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | C1 | sing | 1.36Å | 1.36Å | |
| C3 | C6 | sing | 1.39Å | 1.47Å | Aromatic |
| N3 | C21 | sing | 1.35Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| O4 | C4 | sing | 1.36Å | 1.25Å | |
| C6 | O6 | sing | 1.36Å | 1.36Å | |
| C6 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O9 | C21 | doub | 1.22Å | 1.22Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O10 | C25 | doub | 1.21Å | 1.23Å | |
| C12 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| O12 | C27 | doub | 1.21Å | 1.25Å | |
| C13 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C15 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| O15 | C25 | sing | 1.34Å | 1.47Å | |
| C16 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C3 | doub | 1.40Å | 1.48Å | Aromatic |
| C18 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | O7 | doub | 1.22Å | 1.22Å | |
| C19 | C16 | sing | 1.48Å | 1.51Å | |
| C21 | C18 | sing | 1.48Å | 1.49Å | |
| C22 | N1 | sing | 1.47Å | 1.46Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | N3 | sing | 1.47Å | 1.33Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | C22 | sing | 1.51Å | 1.51Å | |
| C27 | O14 | sing | 1.34Å | 1.25Å | |
| C27 | C24 | sing | 1.51Å | 1.34Å | |
| C30 | O15 | sing | 1.45Å | 1.43Å | |
| C30 | C24 | sing | 1.53Å | 1.51Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C32 | C22 | sing | 1.53Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| O33 | C32 | sing | 1.45Å | 1.43Å | |
| C34 | O33 | sing | 1.34Å | 1.45Å | |
| C34 | O35 | doub | 1.21Å | 1.22Å | |
| C36 | C34 | sing | 1.51Å | 1.51Å | |
| C36 | N37 | sing | 1.47Å | 1.47Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| N37 | HN37 | sing | 0.97Å | 1.00Å | |
| C38 | C36 | sing | 1.53Å | 1.53Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| O39 | C38 | sing | 1.43Å | 1.44Å | |
| O39 | HO39 | sing | 0.97Å | 0.95Å | |
| C40 | N37 | sing | 1.35Å | 1.34Å | |
| C40 | C42 | sing | 1.47Å | 1.51Å | |
| O41 | C40 | doub | 1.22Å | 1.22Å | |
| C42 | C43 | sing | 1.40Å | 1.49Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.49Å | Aromatic |
| C43 | O48 | sing | 1.36Å | 1.36Å | |
| C44 | O49 | sing | 1.36Å | 1.36Å | |
| C45 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | C42 | doub | 1.40Å | 1.40Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| O48 | HO48 | sing | 0.97Å | 0.95Å | |
| O49 | HO49 | sing | 0.97Å | 0.95Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C1 | C4 | 119.8° | 119.7° |
| C16 | C1 | O1 | 121.3° | 120.2° |
| C1 | C16 | C13 | 119.2° | 119.7° |
| C1 | C16 | C19 | 120.1° | 120.2° |
| C4 | C1 | O1 | 118.8° | 120.2° |
| C1 | C4 | C7 | 119.0° | 120.0° |
| C1 | C4 | O4 | 120.0° | 120.0° |
| C19 | N1 | HN1 | 116.8° | 120.0° |
| N1 | C19 | O7 | 123.4° | 119.9° |
| N1 | C19 | C16 | 116.7° | 120.0° |
| C19 | N1 | C22 | 126.4° | 120.1° |
| HN1 | N1 | C22 | 116.8° | 119.9° |
| C1 | O1 | H28 | 109.5° | 114.0° |
| C6 | C3 | O3 | 119.2° | 120.1° |
| C3 | C6 | O6 | 118.0° | 120.0° |
| C3 | C6 | C9 | 119.2° | 120.0° |
| C6 | C3 | C18 | 118.3° | 119.7° |
| C21 | N3 | HN3 | 112.6° | 120.0° |
| N3 | C21 | O9 | 128.4° | 120.1° |
| N3 | C21 | C18 | 113.2° | 120.0° |
| C21 | N3 | C24 | 134.9° | 120.0° |
| HN3 | N3 | C24 | 112.6° | 120.0° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| O3 | C3 | C18 | 122.5° | 120.2° |
| C7 | C4 | O4 | 121.0° | 120.0° |
| C4 | C7 | C10 | 119.6° | 120.4° |
| C4 | C7 | H7 | 120.2° | 119.8° |
| C4 | O4 | H29 | 109.5° | 114.0° |
| O6 | C6 | C9 | 122.8° | 120.0° |
| C6 | O6 | HO6 | 109.5° | 114.1° |
| C6 | C9 | H9 | 119.6° | 119.8° |
| C6 | C9 | C12 | 120.8° | 120.4° |
| C10 | C7 | H7 | 120.2° | 119.8° |
| C7 | C10 | H10 | 119.4° | 119.9° |
| C7 | C10 | C13 | 121.3° | 120.3° |
| H9 | C9 | C12 | 119.6° | 119.8° |
| O9 | C21 | C18 | 118.4° | 120.0° |
| H10 | C10 | C13 | 119.3° | 119.8° |
| O10 | C25 | O15 | 119.2° | 120.0° |
| O10 | C25 | C22 | 118.6° | 120.0° |
| C9 | C12 | H12 | 119.0° | 119.9° |
| C9 | C12 | C15 | 122.1° | 120.3° |
| H12 | C12 | C15 | 118.9° | 119.8° |
| O12 | C27 | O14 | 120.1° | 120.0° |
| O12 | C27 | C24 | 119.3° | 120.0° |
| C10 | C13 | H13 | 119.5° | 120.0° |
| C10 | C13 | C16 | 121.0° | 120.0° |
| H13 | C13 | C16 | 119.5° | 120.0° |
| HO14 | O14 | C27 | 109.5° | 117.0° |
| C12 | C15 | H15 | 119.7° | 120.0° |
| C12 | C15 | C18 | 120.6° | 120.0° |
| H15 | C15 | C18 | 119.7° | 120.0° |
| O15 | C25 | C22 | 122.2° | 120.0° |
| C25 | O15 | C30 | 125.4° | 117.0° |
| C13 | C16 | C19 | 120.7° | 120.1° |
| C3 | C18 | C15 | 119.0° | 119.6° |
| C3 | C18 | C21 | 118.0° | 120.2° |
| C15 | C18 | C21 | 123.1° | 120.2° |
| O7 | C19 | C16 | 119.8° | 120.0° |
| N1 | C22 | H22 | 111.7° | 109.5° |
| N1 | C22 | C25 | 114.8° | 109.4° |
| N1 | C22 | C32 | 100.9° | 109.5° |
| H22 | C22 | C25 | 103.7° | 109.4° |
| H22 | C22 | C32 | 117.0° | 109.5° |
| N3 | C24 | H24 | 106.9° | 109.5° |
| N3 | C24 | C27 | 121.2° | 109.5° |
| N3 | C24 | C30 | 116.0° | 109.5° |
| H24 | C24 | C27 | 70.8° | 109.5° |
| H24 | C24 | C30 | 101.0° | 109.5° |
| C25 | C22 | C32 | 109.3° | 109.5° |
| O14 | C27 | C24 | 120.5° | 120.0° |
| C27 | C24 | C30 | 122.2° | 109.5° |
| O15 | C30 | C24 | 104.2° | 109.5° |
| O15 | C30 | H30 | 111.2° | 109.5° |
| O15 | C30 | H30A | 111.3° | 109.5° |
| C24 | C30 | H30 | 111.2° | 109.5° |
| C24 | C30 | H30A | 111.3° | 109.5° |
| H30 | C30 | H30A | 107.7° | 109.5° |
| C22 | C32 | H32 | 110.1° | 109.4° |
| C22 | C32 | H32A | 110.1° | 109.5° |
| C22 | C32 | O33 | 107.7° | 109.4° |
| H32 | C32 | H32A | 108.8° | 109.5° |
| H32 | C32 | O33 | 110.1° | 109.5° |
| H32A | C32 | O33 | 110.1° | 109.5° |
| C32 | O33 | C34 | 123.0° | 117.0° |
| O33 | C34 | O35 | 118.3° | 120.0° |
| O33 | C34 | C36 | 121.3° | 120.0° |
| O35 | C34 | C36 | 120.4° | 120.0° |
| C34 | C36 | N37 | 113.7° | 109.4° |
| C34 | C36 | H36 | 105.1° | 109.5° |
| C34 | C36 | C38 | 110.3° | 109.5° |
| N37 | C36 | H36 | 108.9° | 109.5° |
| C36 | N37 | HN37 | 119.0° | 120.0° |
| N37 | C36 | C38 | 106.6° | 109.5° |
| C36 | N37 | C40 | 121.9° | 120.0° |
| H36 | C36 | C38 | 112.4° | 109.5° |
| HN37 | N37 | C40 | 119.0° | 120.0° |
| C36 | C38 | H38 | 108.7° | 109.4° |
| C36 | C38 | H38A | 108.8° | 109.5° |
| C36 | C38 | O39 | 111.6° | 109.5° |
| H38 | C38 | H38A | 110.1° | 109.5° |
| H38 | C38 | O39 | 108.8° | 109.5° |
| H38A | C38 | O39 | 108.7° | 109.5° |
| C38 | O39 | HO39 | 109.5° | 114.0° |
| N37 | C40 | C42 | 122.3° | 120.0° |
| N37 | C40 | O41 | 120.1° | 120.0° |
| C42 | C40 | O41 | 117.6° | 120.0° |
| C40 | C42 | C43 | 122.5° | 120.2° |
| C40 | C42 | C47 | 119.7° | 120.2° |
| C42 | C43 | C44 | 118.1° | 119.7° |
| C42 | C43 | O48 | 121.8° | 120.1° |
| C43 | C42 | C47 | 117.8° | 119.6° |
| C44 | C43 | O48 | 120.1° | 120.2° |
| C43 | C44 | O49 | 120.6° | 120.0° |
| C43 | C44 | C45 | 119.5° | 120.0° |
| C43 | O48 | HO48 | 109.5° | 114.1° |
| O49 | C44 | C45 | 119.9° | 120.0° |
| C44 | O49 | HO49 | 109.5° | 114.0° |
| C44 | C45 | H45 | 119.6° | 119.9° |
| C44 | C45 | C46 | 120.7° | 120.3° |
| H45 | C45 | C46 | 119.6° | 119.9° |
| C45 | C46 | H46 | 119.0° | 119.8° |
| C45 | C46 | C47 | 122.1° | 120.4° |
| H46 | C46 | C47 | 119.0° | 119.8° |
| C42 | C47 | C46 | 121.8° | 120.0° |
| C42 | C47 | H47 | 119.1° | 120.0° |
| C46 | C47 | H47 | 119.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C1 | C4 | O1 | 179.4° | 179.8° |
| C1 | C16 | C19 | N1 | 22.8° | 180.0° |
| C16 | C1 | C4 | C7 | 0.5° | 0.1° |
| C16 | C1 | C4 | O4 | 179.6° | 180.0° |
| C1 | C16 | C13 | C10 | 1.1° | 0.0° |
| C1 | C16 | C13 | H13 | 178.9° | 179.9° |
| C1 | C16 | C13 | C19 | 177.5° | 179.9° |
| C1 | C16 | C19 | O7 | 158.8° | 0.1° |
| C16 | C1 | O1 | H28 | 180.0° | 90.0° |
| C1 | C4 | C7 | O4 | 179.9° | 180.0° |
| C1 | C4 | C7 | C10 | 0.1° | 0.0° |
| C1 | C4 | C7 | H7 | 179.9° | 180.0° |
| C4 | C1 | C16 | C13 | 1.0° | 0.1° |
| C4 | C1 | C16 | C19 | 178.6° | 180.0° |
| C4 | C1 | O1 | H28 | 0.6° | 89.7° |
| C1 | C4 | O4 | H29 | 180.0° | 90.0° |
| C19 | N1 | HN1 | C22 | 180.0° | 179.9° |
| N1 | C19 | C16 | C13 | 154.7° | 0.1° |
| N1 | C19 | O7 | C16 | 178.3° | 179.9° |
| C19 | N1 | C22 | H22 | 41.4° | 180.0° |
| C19 | N1 | C22 | C25 | 159.0° | 60.1° |
| C19 | N1 | C22 | C32 | 83.7° | 59.9° |
| HN1 | N1 | C19 | O7 | 179.5° | 180.0° |
| HN1 | N1 | C19 | C16 | 2.1° | 0.1° |
| HN1 | N1 | C22 | H22 | 138.6° | 0.1° |
| HN1 | N1 | C22 | C25 | 21.0° | 120.0° |
| HN1 | N1 | C22 | C32 | 96.3° | 120.0° |
| O1 | C1 | C4 | C7 | 179.9° | 179.7° |
| O1 | C1 | C4 | O4 | 0.2° | 0.2° |
| O1 | C1 | C16 | C13 | 179.5° | 179.7° |
| O1 | C1 | C16 | C19 | 2.0° | 0.2° |
| C6 | C3 | O3 | C18 | 180.0° | 179.8° |
| C6 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C3 | C6 | O6 | C9 | 179.9° | 179.9° |
| C3 | C6 | O6 | HO6 | 180.0° | 90.0° |
| C3 | C6 | C9 | H9 | 179.9° | 180.0° |
| C3 | C6 | C9 | C12 | 0.1° | 0.1° |
| C6 | C3 | C18 | C15 | 0.0° | 0.4° |
| C6 | C3 | C18 | C21 | 179.9° | 180.0° |
| C21 | N3 | HN3 | C24 | 180.0° | 180.0° |
| N3 | C21 | O9 | C18 | 179.7° | 180.0° |
| N3 | C21 | C18 | C3 | 20.4° | 180.0° |
| N3 | C21 | C18 | C15 | 159.8° | 0.5° |
| C21 | N3 | C24 | H24 | 31.6° | 35.0° |
| C21 | N3 | C24 | C27 | 45.8° | 85.0° |
| C21 | N3 | C24 | C30 | 143.3° | 155.0° |
| HN3 | N3 | C21 | O9 | 173.5° | 180.0° |
| HN3 | N3 | C21 | C18 | 6.2° | 0.0° |
| HN3 | N3 | C24 | H24 | 148.4° | 145.1° |
| HN3 | N3 | C24 | C27 | 134.2° | 95.0° |
| HN3 | N3 | C24 | C30 | 36.7° | 25.0° |
| O3 | C3 | C6 | O6 | 0.1° | 0.1° |
| O3 | C3 | C6 | C9 | 180.0° | 180.0° |
| O3 | C3 | C18 | C15 | 180.0° | 179.8° |
| O3 | C3 | C18 | C21 | 0.1° | 0.2° |
| HO3 | O3 | C3 | C18 | 0.0° | 90.2° |
| C4 | C7 | C10 | H7 | 180.0° | 180.0° |
| C4 | C7 | C10 | H10 | 180.0° | 180.0° |
| C4 | C7 | C10 | C13 | 0.0° | 0.0° |
| C7 | C4 | O4 | H29 | 0.1° | 89.9° |
| O4 | C4 | C7 | C10 | 179.9° | 180.0° |
| O4 | C4 | C7 | H7 | 0.1° | 0.0° |
| O6 | C6 | C9 | H9 | 0.0° | 0.1° |
| O6 | C6 | C9 | C12 | 180.0° | 180.0° |
| O6 | C6 | C3 | C18 | 179.9° | 179.7° |
| C9 | C6 | O6 | HO6 | 0.1° | 89.9° |
| C6 | C9 | H9 | C12 | 180.0° | 180.0° |
| C6 | C9 | C12 | H12 | 179.9° | 179.9° |
| C6 | C9 | C12 | C15 | 0.1° | 0.1° |
| C9 | C6 | C3 | C18 | 0.0° | 0.2° |
| C7 | C10 | H10 | C13 | 180.0° | 180.0° |
| C7 | C10 | C13 | H13 | 179.5° | 179.9° |
| C7 | C10 | C13 | C16 | 0.5° | 0.0° |
| H7 | C7 | C10 | H10 | 0.0° | 0.0° |
| H7 | C7 | C10 | C13 | 180.0° | 180.0° |
| H9 | C9 | C12 | H12 | 0.1° | 0.0° |
| H9 | C9 | C12 | C15 | 179.9° | 180.0° |
| O9 | C21 | C18 | C3 | 159.4° | 0.0° |
| O9 | C21 | C18 | C15 | 20.4° | 179.6° |
| O9 | C21 | N3 | C24 | 6.5° | 0.0° |
| H10 | C10 | C13 | H13 | 0.5° | 0.0° |
| H10 | C10 | C13 | C16 | 179.5° | 180.0° |
| O10 | C25 | O15 | C22 | 179.8° | 180.0° |
| O10 | C25 | C22 | N1 | 160.3° | 20.0° |
| O10 | C25 | C22 | H22 | 77.6° | 140.0° |
| O10 | C25 | O15 | C30 | 12.0° | 0.0° |
| O10 | C25 | C22 | C32 | 47.8° | 100.0° |
| C9 | C12 | H12 | C15 | 180.0° | 180.0° |
| C9 | C12 | C15 | H15 | 179.9° | 179.9° |
| C9 | C12 | C15 | C18 | 0.1° | 0.2° |
| H12 | C12 | C15 | H15 | 0.1° | 0.1° |
| H12 | C12 | C15 | C18 | 179.9° | 179.8° |
| O12 | C27 | O14 | HO14 | 0.0° | 0.0° |
| O12 | C27 | C24 | N3 | 176.5° | 0.0° |
| O12 | C27 | C24 | H24 | 84.9° | 120.0° |
| O12 | C27 | O14 | C24 | 177.0° | 180.0° |
| O12 | C27 | C24 | C30 | 6.2° | 120.0° |
| C10 | C13 | H13 | C16 | 180.0° | 179.9° |
| C10 | C13 | C16 | C19 | 178.6° | 180.0° |
| H13 | C13 | C16 | C19 | 1.4° | 0.1° |
| HO14 | O14 | C27 | C24 | 177.0° | 180.0° |
| C12 | C15 | H15 | C18 | 180.0° | 179.9° |
| C12 | C15 | C18 | C3 | 0.1° | 0.4° |
| C12 | C15 | C18 | C21 | 179.9° | 180.0° |
| H15 | C15 | C18 | C3 | 180.0° | 179.7° |
| H15 | C15 | C18 | C21 | 0.1° | 0.1° |
| O15 | C25 | C22 | N1 | 19.5° | 160.0° |
| O15 | C25 | C22 | H22 | 102.6° | 40.0° |
| C25 | O15 | C30 | C24 | 105.6° | 180.0° |
| C25 | O15 | C30 | H30 | 14.3° | 60.0° |
| C25 | O15 | C30 | H30A | 134.4° | 60.0° |
| O15 | C25 | C22 | C32 | 131.9° | 80.0° |
| C13 | C16 | C19 | O7 | 23.7° | 180.0° |
| C3 | C18 | C15 | C21 | 179.8° | 179.6° |
| O7 | C19 | N1 | C22 | 0.5° | 0.1° |
| C16 | C19 | N1 | C22 | 177.8° | 180.0° |
| C18 | C21 | N3 | C24 | 173.8° | 180.0° |
| N1 | C22 | H22 | C25 | 124.1° | 119.9° |
| N1 | C22 | H22 | C32 | 115.5° | 120.1° |
| N1 | C22 | C25 | C32 | 112.5° | 120.0° |
| N1 | C22 | C32 | H32 | 154.0° | 54.9° |
| N1 | C22 | C32 | H32A | 86.0° | 174.9° |
| N1 | C22 | C32 | O33 | 34.0° | 65.1° |
| H22 | C22 | C25 | C32 | 125.4° | 120.0° |
| H22 | C22 | C32 | H32 | 84.7° | 175.1° |
| H22 | C22 | C32 | H32A | 35.3° | 64.9° |
| H22 | C22 | C32 | O33 | 155.4° | 55.0° |
| N3 | C24 | H24 | C27 | 117.8° | 120.0° |
| N3 | C24 | H24 | C30 | 121.7° | 120.0° |
| N3 | C24 | C27 | O14 | 6.4° | 180.0° |
| N3 | C24 | C27 | C30 | 170.3° | 120.0° |
| N3 | C24 | C30 | O15 | 72.0° | 65.0° |
| N3 | C24 | C30 | H30 | 168.0° | 175.0° |
| N3 | C24 | C30 | H30A | 48.0° | 55.0° |
| H24 | C24 | C27 | O14 | 92.1° | 60.0° |
| H24 | C24 | C27 | C30 | 91.1° | 120.0° |
| H24 | C24 | C30 | O15 | 172.9° | 175.0° |
| H24 | C24 | C30 | H30 | 52.9° | 55.0° |
| H24 | C24 | C30 | H30A | 67.1° | 65.0° |
| C22 | C25 | O15 | C30 | 168.2° | 180.0° |
| C25 | C22 | C32 | H32 | 32.7° | 65.0° |
| C25 | C22 | C32 | H32A | 152.7° | 55.0° |
| C25 | C22 | C32 | O33 | 87.3° | 175.0° |
| O14 | C27 | C24 | C30 | 176.7° | 60.0° |
| C27 | C24 | C30 | O15 | 98.8° | 55.0° |
| C27 | C24 | C30 | H30 | 21.2° | 65.0° |
| C27 | C24 | C30 | H30A | 141.2° | 175.0° |
| O15 | C30 | C24 | H30 | 120.0° | 120.0° |
| O15 | C30 | C24 | H30A | 120.0° | 120.0° |
| O15 | C30 | H30 | H30A | 122.1° | 120.0° |
| C24 | C30 | H30 | H30A | 122.1° | 120.0° |
| C22 | C32 | H32 | H32A | 120.8° | 120.0° |
| C22 | C32 | H32 | O33 | 118.5° | 120.0° |
| C22 | C32 | H32A | O33 | 118.5° | 120.0° |
| C22 | C32 | O33 | C34 | 140.5° | 180.0° |
| H32 | C32 | H32A | O33 | 120.7° | 120.1° |
| H32 | C32 | O33 | C34 | 20.5° | 60.0° |
| H32A | C32 | O33 | C34 | 99.4° | 60.0° |
| C32 | O33 | C34 | O35 | 81.9° | 0.0° |
| C32 | O33 | C34 | C36 | 98.7° | 180.0° |
| O33 | C34 | O35 | C36 | 179.4° | 180.0° |
| O33 | C34 | C36 | N37 | 40.7° | 180.0° |
| O33 | C34 | C36 | H36 | 159.7° | 60.0° |
| O33 | C34 | C36 | C38 | 78.9° | 60.0° |
| O35 | C34 | C36 | N37 | 138.7° | 0.0° |
| O35 | C34 | C36 | H36 | 19.7° | 120.0° |
| O35 | C34 | C36 | C38 | 101.7° | 120.0° |
| C34 | C36 | N37 | H36 | 116.8° | 120.0° |
| C34 | C36 | N37 | C38 | 121.7° | 120.0° |
| C34 | C36 | H36 | C38 | 120.0° | 120.0° |
| C34 | C36 | N37 | HN37 | 44.9° | 25.0° |
| C34 | C36 | C38 | H38 | 10.7° | 65.0° |
| C34 | C36 | C38 | H38A | 130.7° | 175.0° |
| C34 | C36 | C38 | O39 | 109.3° | 55.0° |
| C34 | C36 | N37 | C40 | 135.0° | 155.0° |
| N37 | C36 | H36 | C38 | 117.8° | 120.0° |
| C36 | N37 | HN37 | C40 | 180.0° | 179.9° |
| N37 | C36 | C38 | H38 | 134.6° | 175.1° |
| N37 | C36 | C38 | H38A | 105.4° | 55.0° |
| N37 | C36 | C38 | O39 | 14.6° | 65.0° |
| C36 | N37 | C40 | C42 | 179.9° | 180.0° |
| C36 | N37 | C40 | O41 | 1.5° | 0.0° |
| H36 | C36 | N37 | HN37 | 161.7° | 145.0° |
| H36 | C36 | C38 | H38 | 106.2° | 55.0° |
| H36 | C36 | C38 | H38A | 13.8° | 65.1° |
| H36 | C36 | C38 | O39 | 133.8° | 175.0° |
| H36 | C36 | N37 | C40 | 18.3° | 35.0° |
| HN37 | N37 | C36 | C38 | 76.8° | 95.0° |
| HN37 | N37 | C40 | C42 | 0.1° | 0.0° |
| HN37 | N37 | C40 | O41 | 178.5° | 180.0° |
| C36 | C38 | H38 | H38A | 119.1° | 120.0° |
| C36 | C38 | H38 | O39 | 121.7° | 120.0° |
| C36 | C38 | H38A | O39 | 121.7° | 120.0° |
| C36 | C38 | O39 | HO39 | 100.1° | 180.0° |
| C38 | C36 | N37 | C40 | 103.2° | 85.0° |
| H38 | C38 | H38A | O39 | 119.1° | 120.0° |
| H38 | C38 | O39 | HO39 | 19.9° | 60.0° |
| H38A | C38 | O39 | HO39 | 139.8° | 60.0° |
| N37 | C40 | C42 | O41 | 178.6° | 180.0° |
| N37 | C40 | C42 | C43 | 6.5° | 180.0° |
| N37 | C40 | C42 | C47 | 174.2° | 0.2° |
| C40 | C42 | C43 | C47 | 179.3° | 179.8° |
| C40 | C42 | C43 | C44 | 179.4° | 180.0° |
| C40 | C42 | C43 | O48 | 0.6° | 0.0° |
| C40 | C42 | C47 | C46 | 179.5° | 179.8° |
| C40 | C42 | C47 | H47 | 0.5° | 0.0° |
| O41 | C40 | C42 | C43 | 172.1° | 0.0° |
| O41 | C40 | C42 | C47 | 7.2° | 179.8° |
| C42 | C43 | C44 | O48 | 179.9° | 180.0° |
| C42 | C43 | C44 | O49 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.1° | 0.1° |
| C43 | C42 | C47 | C46 | 0.2° | 0.5° |
| C43 | C42 | C47 | H47 | 179.8° | 179.7° |
| C42 | C43 | O48 | HO48 | 180.0° | 89.9° |
| C43 | C44 | O49 | C45 | 179.9° | 179.9° |
| C43 | C44 | C45 | H45 | 179.9° | 180.0° |
| C43 | C44 | C45 | C46 | 0.1° | 0.1° |
| C44 | C43 | C42 | C47 | 0.1° | 0.2° |
| C44 | C43 | O48 | HO48 | 0.1° | 90.0° |
| C43 | C44 | O49 | HO49 | 180.0° | 90.0° |
| O48 | C43 | C44 | O49 | 0.1° | 0.1° |
| O48 | C43 | C44 | C45 | 179.9° | 180.0° |
| O48 | C43 | C42 | C47 | 179.8° | 179.8° |
| O49 | C44 | C45 | H45 | 0.0° | 0.1° |
| O49 | C44 | C45 | C46 | 180.0° | 179.9° |
| C44 | C45 | H45 | C46 | 180.0° | 180.0° |
| C44 | C45 | C46 | H46 | 179.9° | 180.0° |
| C44 | C45 | C46 | C47 | 0.1° | 0.2° |
| C45 | C44 | O49 | HO49 | 0.1° | 90.1° |
| H45 | C45 | C46 | H46 | 0.2° | 0.0° |
| H45 | C45 | C46 | C47 | 179.9° | 179.7° |
| C45 | C46 | H46 | C47 | 180.0° | 179.8° |
| C45 | C46 | C47 | C42 | 0.2° | 0.5° |
| C45 | C46 | C47 | H47 | 179.8° | 179.7° |
| H46 | C46 | C47 | C42 | 179.8° | 179.7° |
| H46 | C46 | C47 | H47 | 0.2° | 0.1° |
| C42 | C47 | C46 | H47 | 180.0° | 179.8° |
