QED
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.40Å | 1.48Å | Aromatic |
| C1 | C9 | sing | 1.48Å | 1.50Å | |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| O7 | C2 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | sing | 1.39Å | 1.48Å | Aromatic |
| O8 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | O10 | doub | 1.22Å | 1.22Å | |
| C9 | N11 | sing | 1.35Å | 1.33Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N14 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | N14 | sing | 1.47Å | 1.46Å | |
| N14 | C21 | sing | 1.47Å | 1.47Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N17 | C16 | sing | 1.47Å | 1.45Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | N17 | sing | 1.35Å | 1.34Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| O19 | C18 | doub | 1.22Å | 1.23Å | |
| C41 | C18 | sing | 1.48Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| N23 | C22 | sing | 1.46Å | 1.45Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| N23 | C24 | sing | 1.35Å | 1.34Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C33 | C24 | sing | 1.48Å | 1.50Å | |
| C24 | O32 | doub | 1.22Å | 1.22Å | |
| C26 | N25 | sing | 1.35Å | 1.35Å | |
| C41 | N25 | sing | 1.37Å | 1.35Å | |
| N25 | O30 | sing | 1.42Å | 1.43Å | |
| C27 | C26 | sing | 1.41Å | 1.39Å | |
| C26 | O31 | doub | 1.22Å | 1.25Å | |
| C28 | C27 | doub | 1.36Å | 1.39Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.40Å | 1.39Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C41 | doub | 1.36Å | 1.40Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å | |
| N34 | C33 | sing | 1.37Å | 1.34Å | |
| C38 | C33 | doub | 1.36Å | 1.39Å | |
| C35 | N34 | sing | 1.35Å | 1.34Å | |
| N34 | O39 | sing | 1.42Å | 1.43Å | |
| O40 | C35 | doub | 1.22Å | 1.25Å | |
| C36 | C35 | sing | 1.41Å | 1.39Å | |
| C36 | C37 | doub | 1.36Å | 1.39Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.40Å | 1.39Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| O39 | HO39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C9 | 118.3° | 120.1° |
| C2 | C1 | C6 | 119.0° | 119.7° |
| C1 | C2 | O7 | 120.7° | 120.2° |
| C1 | C2 | C3 | 118.8° | 119.7° |
| C9 | C1 | C6 | 122.7° | 120.2° |
| C1 | C9 | O10 | 119.6° | 120.0° |
| C1 | C9 | N11 | 117.6° | 120.0° |
| C1 | C6 | C5 | 120.5° | 120.0° |
| C1 | C6 | H6 | 119.8° | 120.0° |
| O7 | C2 | C3 | 120.5° | 120.1° |
| C2 | O7 | HO7 | 109.5° | 114.0° |
| C2 | C3 | O8 | 119.3° | 120.0° |
| C2 | C3 | C4 | 118.6° | 120.0° |
| O8 | C3 | C4 | 122.1° | 120.0° |
| C3 | O8 | HO8 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.9° | 120.3° |
| C3 | C4 | H4 | 119.5° | 119.8° |
| C5 | C4 | H4 | 119.6° | 119.8° |
| C4 | C5 | C6 | 122.4° | 120.4° |
| C4 | C5 | H5 | 118.8° | 119.9° |
| C6 | C5 | H5 | 118.8° | 119.8° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| O10 | C9 | N11 | 122.8° | 120.0° |
| C9 | N11 | C12 | 121.6° | 120.0° |
| C9 | N11 | HN11 | 119.2° | 120.0° |
| C12 | N11 | HN11 | 119.2° | 120.0° |
| N11 | C12 | C13 | 112.3° | 109.5° |
| N11 | C12 | H12 | 108.5° | 109.5° |
| N11 | C12 | H12A | 108.5° | 109.4° |
| C13 | C12 | H12 | 108.6° | 109.5° |
| C13 | C12 | H12A | 108.5° | 109.5° |
| C12 | C13 | N14 | 114.0° | 109.5° |
| C12 | C13 | H13 | 108.0° | 109.5° |
| C12 | C13 | H13A | 108.0° | 109.4° |
| H12 | C12 | H12A | 110.4° | 109.5° |
| N14 | C13 | H13 | 108.0° | 109.5° |
| N14 | C13 | H13A | 108.0° | 109.5° |
| C13 | N14 | C15 | 123.0° | 111.0° |
| C13 | N14 | C21 | 121.2° | 111.0° |
| H13 | C13 | H13A | 110.9° | 109.5° |
| C15 | N14 | C21 | 115.7° | 111.0° |
| N14 | C15 | C16 | 109.5° | 109.5° |
| N14 | C15 | H15 | 109.5° | 109.5° |
| N14 | C15 | H15A | 109.5° | 109.5° |
| N14 | C21 | C22 | 113.5° | 109.5° |
| N14 | C21 | H21 | 108.1° | 109.5° |
| N14 | C21 | H21A | 108.1° | 109.5° |
| C16 | C15 | H15 | 109.5° | 109.4° |
| C16 | C15 | H15A | 109.5° | 109.5° |
| C15 | C16 | N17 | 108.1° | 109.5° |
| C15 | C16 | H16 | 110.0° | 109.5° |
| C15 | C16 | H16A | 110.0° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.4° |
| N17 | C16 | H16 | 109.9° | 109.5° |
| N17 | C16 | H16A | 109.9° | 109.5° |
| C16 | N17 | C18 | 128.2° | 120.0° |
| C16 | N17 | HN17 | 115.9° | 120.0° |
| H16 | C16 | H16A | 109.0° | 109.5° |
| C18 | N17 | HN17 | 115.9° | 120.0° |
| N17 | C18 | O19 | 116.5° | 120.0° |
| N17 | C18 | C41 | 128.2° | 120.0° |
| O19 | C18 | C41 | 115.3° | 120.0° |
| C18 | C41 | N25 | 124.4° | 119.8° |
| C18 | C41 | C29 | 116.2° | 119.8° |
| C22 | C21 | H21 | 108.2° | 109.4° |
| C22 | C21 | H21A | 108.2° | 109.4° |
| C21 | C22 | N23 | 113.1° | 109.5° |
| C21 | C22 | H22 | 108.3° | 109.5° |
| C21 | C22 | H22A | 108.3° | 109.5° |
| H21 | C21 | H21A | 110.8° | 109.5° |
| N23 | C22 | H22 | 108.3° | 109.5° |
| N23 | C22 | H22A | 108.3° | 109.5° |
| C22 | N23 | C24 | 122.7° | 120.0° |
| C22 | N23 | HN23 | 118.6° | 120.0° |
| H22 | C22 | H22A | 110.6° | 109.4° |
| C24 | N23 | HN23 | 118.7° | 120.0° |
| N23 | C24 | C33 | 117.2° | 120.0° |
| N23 | C24 | O32 | 123.3° | 120.0° |
| C33 | C24 | O32 | 119.4° | 120.0° |
| C24 | C33 | N34 | 119.5° | 119.7° |
| C24 | C33 | C38 | 119.9° | 119.8° |
| C26 | N25 | C41 | 121.0° | 120.6° |
| C26 | N25 | O30 | 117.4° | 119.7° |
| N25 | C26 | C27 | 121.2° | 120.1° |
| N25 | C26 | O31 | 119.9° | 119.9° |
| C41 | N25 | O30 | 121.5° | 119.7° |
| N25 | C41 | C29 | 119.2° | 120.4° |
| N25 | O30 | HO30 | 109.5° | 114.0° |
| C27 | C26 | O31 | 118.9° | 120.0° |
| C26 | C27 | C28 | 119.0° | 119.5° |
| C26 | C27 | H27 | 120.5° | 120.3° |
| C28 | C27 | H27 | 120.4° | 120.2° |
| C27 | C28 | C29 | 118.9° | 119.4° |
| C27 | C28 | H28 | 120.6° | 120.3° |
| C29 | C28 | H28 | 120.6° | 120.3° |
| C28 | C29 | C41 | 120.5° | 119.9° |
| C28 | C29 | H29 | 119.7° | 120.1° |
| C41 | C29 | H29 | 119.7° | 120.0° |
| N34 | C33 | C38 | 120.6° | 120.5° |
| C33 | N34 | C35 | 121.3° | 120.6° |
| C33 | N34 | O39 | 119.6° | 119.7° |
| C33 | C38 | C37 | 119.3° | 119.9° |
| C33 | C38 | H38 | 120.4° | 120.0° |
| C35 | N34 | O39 | 119.1° | 119.7° |
| N34 | C35 | O40 | 119.4° | 120.0° |
| N34 | C35 | C36 | 120.5° | 120.1° |
| N34 | O39 | HO39 | 109.5° | 114.0° |
| O40 | C35 | C36 | 120.2° | 119.9° |
| C35 | C36 | C37 | 119.3° | 119.5° |
| C35 | C36 | H36 | 120.3° | 120.2° |
| C37 | C36 | H36 | 120.4° | 120.3° |
| C36 | C37 | C38 | 119.1° | 119.4° |
| C36 | C37 | H37 | 120.4° | 120.3° |
| C38 | C37 | H37 | 120.5° | 120.3° |
| C37 | C38 | H38 | 120.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C9 | C6 | 179.7° | 179.8° |
| C1 | C2 | O7 | C3 | 179.9° | 180.0° |
| C1 | C2 | C3 | O8 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.5° |
| C2 | C1 | C6 | H6 | 179.8° | 179.8° |
| C1 | C2 | O7 | HO7 | 180.0° | 89.9° |
| C2 | C1 | C9 | O10 | 133.2° | 0.2° |
| C2 | C1 | C9 | N11 | 43.8° | 179.8° |
| C9 | C1 | C2 | O7 | 0.2° | 0.0° |
| C9 | C1 | C2 | C3 | 179.9° | 180.0° |
| C9 | C1 | C6 | C5 | 179.9° | 179.7° |
| C9 | C1 | C6 | H6 | 0.1° | 0.0° |
| C1 | C9 | O10 | N11 | 176.9° | 180.0° |
| C1 | C9 | N11 | C12 | 171.9° | 180.0° |
| C1 | C9 | N11 | HN11 | 8.0° | 0.0° |
| C6 | C1 | C2 | O7 | 179.9° | 179.8° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C1 | C6 | C5 | C4 | 0.0° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 180.0° | 179.7° |
| C6 | C1 | C9 | O10 | 46.4° | 180.0° |
| C6 | C1 | C9 | N11 | 136.5° | 0.0° |
| O7 | C2 | C3 | O8 | 0.2° | 0.0° |
| O7 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C3 | O8 | C4 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C2 | O7 | HO7 | 0.1° | 90.1° |
| C2 | C3 | O8 | HO8 | 180.0° | 90.0° |
| O8 | C3 | C4 | C5 | 180.0° | 179.9° |
| O8 | C3 | C4 | H4 | 0.1° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | C3 | O8 | HO8 | 0.3° | 90.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| H4 | C4 | C5 | C6 | 179.8° | 179.7° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| O10 | C9 | N11 | C12 | 5.0° | 0.0° |
| O10 | C9 | N11 | HN11 | 175.0° | 180.0° |
| C9 | N11 | C12 | HN11 | 180.0° | 180.0° |
| C9 | N11 | C12 | C13 | 175.5° | 180.0° |
| C9 | N11 | C12 | H12 | 64.5° | 60.0° |
| C9 | N11 | C12 | H12A | 55.5° | 60.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | H12 | H12A | 118.8° | 120.0° |
| N11 | C12 | C13 | N14 | 106.1° | 180.0° |
| N11 | C12 | C13 | H13 | 133.9° | 60.0° |
| N11 | C12 | C13 | H13A | 14.0° | 60.0° |
| HN11 | N11 | C12 | C13 | 4.6° | 0.0° |
| HN11 | N11 | C12 | H12 | 115.5° | 120.0° |
| HN11 | N11 | C12 | H12A | 124.6° | 120.0° |
| C13 | C12 | H12 | H12A | 118.9° | 120.0° |
| C12 | C13 | N14 | H13 | 120.0° | 120.0° |
| C12 | C13 | N14 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 118.2° | 119.9° |
| C12 | C13 | N14 | C15 | 15.6° | 170.0° |
| C12 | C13 | N14 | C21 | 169.0° | 66.0° |
| H12 | C12 | C13 | N14 | 13.9° | 60.0° |
| H12 | C12 | C13 | H13 | 106.1° | 180.0° |
| H12 | C12 | C13 | H13A | 133.9° | 60.0° |
| H12A | C12 | C13 | N14 | 133.9° | 60.0° |
| H12A | C12 | C13 | H13 | 13.9° | 60.0° |
| H12A | C12 | C13 | H13A | 106.0° | 180.0° |
| N14 | C13 | H13 | H13A | 118.1° | 120.0° |
| C13 | N14 | C15 | C21 | 175.6° | 124.0° |
| C13 | N14 | C15 | C16 | 95.5° | 76.1° |
| C13 | N14 | C15 | H15 | 24.5° | 43.9° |
| C13 | N14 | C15 | H15A | 144.5° | 163.8° |
| C13 | N14 | C21 | C22 | 43.2° | 163.3° |
| C13 | N14 | C21 | H21 | 163.2° | 76.8° |
| C13 | N14 | C21 | H21A | 76.8° | 43.3° |
| H13 | C13 | N14 | C15 | 104.5° | 50.0° |
| H13 | C13 | N14 | C21 | 70.9° | 174.0° |
| H13A | C13 | N14 | C15 | 135.6° | 70.0° |
| H13A | C13 | N14 | C21 | 49.0° | 54.0° |
| N14 | C15 | C16 | H15 | 120.0° | 120.0° |
| N14 | C15 | C16 | H15A | 120.0° | 120.1° |
| N14 | C15 | H15 | H15A | 120.0° | 120.0° |
| N14 | C15 | C16 | N17 | 146.3° | 176.5° |
| N14 | C15 | C16 | H16 | 26.3° | 56.5° |
| N14 | C15 | C16 | H16A | 93.8° | 63.5° |
| C15 | N14 | C21 | C22 | 141.1° | 72.7° |
| C15 | N14 | C21 | H21 | 21.1° | 47.2° |
| C15 | N14 | C21 | H21A | 98.9° | 167.3° |
| C21 | N14 | C15 | C16 | 88.8° | 159.9° |
| C21 | N14 | C15 | H15 | 151.1° | 80.1° |
| C21 | N14 | C15 | H15A | 31.2° | 39.8° |
| N14 | C21 | C22 | H21 | 120.0° | 120.0° |
| N14 | C21 | C22 | H21A | 120.0° | 120.0° |
| N14 | C21 | H21 | H21A | 118.3° | 120.0° |
| N14 | C21 | C22 | N23 | 81.3° | 177.2° |
| N14 | C21 | C22 | H22 | 158.7° | 62.8° |
| N14 | C21 | C22 | H22A | 38.8° | 57.2° |
| C16 | C15 | H15 | H15A | 120.0° | 120.0° |
| C15 | C16 | N17 | H16 | 120.0° | 120.0° |
| C15 | C16 | N17 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16A | 120.6° | 120.0° |
| C15 | C16 | N17 | C18 | 143.7° | 180.0° |
| C15 | C16 | N17 | HN17 | 36.3° | 0.0° |
| H15 | C15 | C16 | N17 | 93.7° | 63.5° |
| H15 | C15 | C16 | H16 | 146.3° | 176.5° |
| H15 | C15 | C16 | H16A | 26.3° | 56.5° |
| H15A | C15 | C16 | N17 | 26.3° | 56.4° |
| H15A | C15 | C16 | H16 | 93.7° | 63.6° |
| H15A | C15 | C16 | H16A | 146.3° | 176.4° |
| N17 | C16 | H16 | H16A | 120.5° | 120.0° |
| C16 | N17 | C18 | HN17 | 180.0° | 180.0° |
| C16 | N17 | C18 | O19 | 168.8° | 0.0° |
| C16 | N17 | C18 | C41 | 10.1° | 180.0° |
| H16 | C16 | N17 | C18 | 96.3° | 60.0° |
| H16 | C16 | N17 | HN17 | 83.7° | 120.0° |
| H16A | C16 | N17 | C18 | 23.7° | 60.0° |
| H16A | C16 | N17 | HN17 | 156.3° | 120.0° |
| N17 | C18 | O19 | C41 | 179.0° | 180.0° |
| N17 | C18 | C41 | N25 | 37.0° | 179.5° |
| N17 | C18 | C41 | C29 | 146.1° | 0.0° |
| HN17 | N17 | C18 | O19 | 11.2° | 180.0° |
| HN17 | N17 | C18 | C41 | 169.9° | 0.0° |
| O19 | C18 | C41 | N25 | 144.0° | 0.5° |
| O19 | C18 | C41 | C29 | 32.8° | 180.0° |
| C18 | C41 | N25 | C26 | 178.4° | 180.0° |
| C18 | C41 | N25 | C29 | 176.8° | 179.5° |
| C18 | C41 | N25 | O30 | 2.1° | 0.2° |
| C18 | C41 | C29 | C28 | 178.8° | 180.0° |
| C18 | C41 | C29 | H29 | 1.2° | 0.3° |
| C22 | C21 | H21 | H21A | 118.4° | 119.9° |
| C21 | C22 | N23 | H22 | 120.0° | 120.0° |
| C21 | C22 | N23 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22A | 118.5° | 120.0° |
| C21 | C22 | N23 | C24 | 170.1° | 180.0° |
| C21 | C22 | N23 | HN23 | 9.9° | 0.0° |
| H21 | C21 | C22 | N23 | 38.7° | 57.2° |
| H21 | C21 | C22 | H22 | 81.2° | 177.2° |
| H21 | C21 | C22 | H22A | 158.8° | 62.8° |
| H21A | C21 | C22 | N23 | 158.7° | 62.7° |
| H21A | C21 | C22 | H22 | 38.8° | 57.3° |
| H21A | C21 | C22 | H22A | 81.2° | 177.2° |
| N23 | C22 | H22 | H22A | 118.5° | 120.0° |
| C22 | N23 | C24 | HN23 | 180.0° | 180.0° |
| C22 | N23 | C24 | C33 | 179.3° | 180.0° |
| C22 | N23 | C24 | O32 | 0.7° | 0.0° |
| H22 | C22 | N23 | C24 | 69.9° | 60.0° |
| H22 | C22 | N23 | HN23 | 110.1° | 120.0° |
| H22A | C22 | N23 | C24 | 50.1° | 60.0° |
| H22A | C22 | N23 | HN23 | 129.9° | 120.0° |
| N23 | C24 | C33 | O32 | 180.0° | 179.9° |
| N23 | C24 | C33 | N34 | 59.6° | 180.0° |
| N23 | C24 | C33 | C38 | 119.7° | 0.2° |
| HN23 | N23 | C24 | C33 | 0.7° | 0.0° |
| HN23 | N23 | C24 | O32 | 179.3° | 179.9° |
| C24 | C33 | N34 | C38 | 179.2° | 179.8° |
| C24 | C33 | N34 | C35 | 179.5° | 179.9° |
| C24 | C33 | N34 | O39 | 0.6° | 0.0° |
| C24 | C33 | C38 | C37 | 179.5° | 179.7° |
| C24 | C33 | C38 | H38 | 0.5° | 0.2° |
| O32 | C24 | C33 | N34 | 120.5° | 0.1° |
| O32 | C24 | C33 | C38 | 60.3° | 179.7° |
| C26 | N25 | C41 | O30 | 179.4° | 179.8° |
| N25 | C26 | C27 | O31 | 179.9° | 180.0° |
| N25 | C26 | C27 | C28 | 0.1° | 0.1° |
| N25 | C26 | C27 | H27 | 179.9° | 179.9° |
| C26 | N25 | C41 | C29 | 1.6° | 0.5° |
| C26 | N25 | O30 | HO30 | 0.2° | 0.0° |
| C41 | N25 | C26 | C27 | 0.7° | 0.2° |
| C41 | N25 | C26 | O31 | 179.1° | 179.8° |
| N25 | C41 | C29 | C28 | 1.7° | 0.5° |
| N25 | C41 | C29 | H29 | 178.3° | 179.8° |
| C41 | N25 | O30 | HO30 | 179.3° | 179.7° |
| O30 | N25 | C26 | C27 | 179.8° | 180.0° |
| O30 | N25 | C26 | O31 | 0.3° | 0.0° |
| O30 | N25 | C41 | C29 | 178.9° | 179.8° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| O31 | C26 | C27 | C28 | 180.0° | 180.0° |
| O31 | C26 | C27 | H27 | 0.0° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C41 | 0.8° | 0.2° |
| C27 | C28 | C29 | H29 | 179.1° | 179.9° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.0° |
| C28 | C29 | C41 | H29 | 180.0° | 179.7° |
| H28 | C28 | C29 | C41 | 179.2° | 179.7° |
| H28 | C28 | C29 | H29 | 0.9° | 0.0° |
| C33 | N34 | C35 | O39 | 179.9° | 179.9° |
| C33 | N34 | C35 | O40 | 180.0° | 180.0° |
| C33 | N34 | C35 | C36 | 0.2° | 0.1° |
| N34 | C33 | C38 | C37 | 0.3° | 0.5° |
| N34 | C33 | C38 | H38 | 179.7° | 180.0° |
| C33 | N34 | O39 | HO39 | 179.9° | 180.0° |
| C38 | C33 | N34 | C35 | 0.3° | 0.3° |
| C38 | C33 | N34 | O39 | 179.8° | 179.8° |
| C33 | C38 | C37 | C36 | 0.1° | 0.5° |
| C33 | C38 | C37 | H38 | 180.0° | 179.6° |
| C33 | C38 | C37 | H37 | 179.9° | 179.8° |
| N34 | C35 | O40 | C36 | 179.9° | 180.0° |
| N34 | C35 | C36 | C37 | 0.0° | 0.1° |
| N34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C35 | N34 | O39 | HO39 | 0.0° | 0.1° |
| O39 | N34 | C35 | O40 | 0.1° | 0.1° |
| O39 | N34 | C35 | C36 | 179.9° | 180.0° |
| O40 | C35 | C36 | C37 | 179.9° | 179.9° |
| O40 | C35 | C36 | H36 | 0.1° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.0° | 0.3° |
| C35 | C36 | C37 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.8° |
| C36 | C37 | C38 | H38 | 179.9° | 179.9° |
| H36 | C36 | C37 | C38 | 180.0° | 179.8° |
| H36 | C36 | C37 | H37 | 0.0° | 0.1° |
| H37 | C37 | C38 | H38 | 0.1° | 0.2° |
