B93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| O3 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | N9 | sing | 1.46Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| O8 | C6 | doub | 1.21Å | 1.35Å | |
| C6 | O7 | sing | 1.34Å | 1.22Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| N9 | C10 | sing | 1.35Å | 1.38Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C12 | N24 | sing | 1.47Å | 1.45Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.31Å | 1.34Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | C22 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C21 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| N23 | C22 | sing | 1.47Å | 1.45Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| N24 | N23 | sing | 1.42Å | 1.39Å | |
| N23 | C42 | sing | 1.33Å | 1.38Å | |
| N24 | C25 | sing | 1.33Å | 1.37Å | |
| O26 | C25 | doub | 1.22Å | 1.22Å | |
| C25 | N27 | sing | 1.35Å | 1.37Å | |
| N27 | C42 | sing | 1.35Å | 1.37Å | |
| N27 | C28 | sing | 1.46Å | 1.45Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N30 | C29 | sing | 1.47Å | 1.45Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| N30 | C31 | sing | 1.35Å | 1.38Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C33 | C31 | sing | 1.48Å | 1.47Å | |
| C31 | O32 | doub | 1.22Å | 1.23Å | |
| C34 | C33 | doub | 1.40Å | 1.38Å | Aromatic |
| C33 | C41 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.36Å | 1.38Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | N37 | sing | 1.38Å | 1.37Å | Aromatic |
| C36 | C40 | sing | 1.41Å | 1.38Å | Aromatic |
| N37 | C38 | sing | 1.36Å | 1.36Å | Aromatic |
| C38 | N39 | doub | 1.30Å | 1.32Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | N39 | sing | 1.36Å | 1.37Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | O43 | doub | 1.22Å | 1.22Å | |
| N37 | HN37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.4° |
| C1 | C2 | O3 | 119.7° | 120.0° |
| C1 | C2 | C4 | 119.0° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| O3 | C2 | C4 | 121.3° | 120.0° |
| C2 | C4 | C5 | 109.0° | 109.5° |
| C2 | C4 | N9 | 106.9° | 109.5° |
| C2 | C4 | H4 | 111.7° | 109.5° |
| C5 | C4 | N9 | 110.1° | 109.5° |
| C5 | C4 | H4 | 108.5° | 109.5° |
| C4 | C5 | C6 | 107.8° | 109.5° |
| C4 | C5 | H5 | 110.0° | 109.5° |
| C4 | C5 | H5A | 110.0° | 109.5° |
| N9 | C4 | H4 | 110.6° | 109.4° |
| C4 | N9 | C10 | 120.8° | 120.0° |
| C4 | N9 | HN9 | 119.6° | 120.0° |
| C6 | C5 | H5 | 110.0° | 109.5° |
| C6 | C5 | H5A | 110.0° | 109.5° |
| C5 | C6 | O8 | 111.6° | 120.0° |
| C5 | C6 | O7 | 125.6° | 120.0° |
| H5 | C5 | H5A | 108.9° | 109.4° |
| O8 | C6 | O7 | 122.9° | 120.0° |
| C6 | O7 | HO7 | 109.5° | 117.0° |
| C10 | N9 | HN9 | 119.6° | 120.0° |
| N9 | C10 | O11 | 125.1° | 120.0° |
| N9 | C10 | C12 | 111.4° | 120.0° |
| O11 | C10 | C12 | 123.5° | 120.0° |
| C10 | C12 | C13 | 108.1° | 109.9° |
| C10 | C12 | N24 | 108.3° | 109.9° |
| C10 | C12 | H12 | 110.8° | 109.9° |
| C13 | C12 | N24 | 108.4° | 107.5° |
| C13 | C12 | H12 | 110.7° | 109.9° |
| C12 | C13 | C14 | 124.3° | 122.3° |
| C12 | C13 | H13 | 117.8° | 118.9° |
| N24 | C12 | H12 | 110.6° | 109.8° |
| C12 | N24 | N23 | 116.0° | 120.9° |
| C12 | N24 | C25 | 123.8° | 131.8° |
| C14 | C13 | H13 | 117.8° | 118.8° |
| C13 | C14 | C15 | 119.7° | 118.8° |
| C13 | C14 | C22 | 121.4° | 122.4° |
| C15 | C14 | C22 | 118.8° | 118.9° |
| C14 | C15 | C16 | 117.7° | 109.4° |
| C14 | C15 | H15 | 106.8° | 109.4° |
| C14 | C15 | H15A | 106.8° | 109.5° |
| C14 | C22 | N23 | 109.7° | 107.5° |
| C14 | C22 | H22 | 109.4° | 109.9° |
| C14 | C22 | H22A | 109.4° | 109.9° |
| C16 | C15 | H15 | 106.8° | 109.5° |
| C16 | C15 | H15A | 106.8° | 109.5° |
| C15 | C16 | C17 | 113.1° | 109.4° |
| C15 | C16 | C21 | 108.3° | 109.5° |
| C15 | C16 | H16 | 107.8° | 109.5° |
| H15 | C15 | H15A | 112.0° | 109.5° |
| C17 | C16 | C21 | 109.6° | 109.5° |
| C17 | C16 | H16 | 106.6° | 109.5° |
| C16 | C17 | C18 | 109.9° | 109.4° |
| C16 | C17 | H17 | 109.3° | 109.4° |
| C16 | C17 | H17A | 109.3° | 109.5° |
| C21 | C16 | H16 | 111.5° | 109.5° |
| C16 | C21 | C20 | 110.9° | 109.5° |
| C16 | C21 | H21 | 109.0° | 109.5° |
| C16 | C21 | H21A | 109.0° | 109.4° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C18 | C17 | H17A | 109.3° | 109.5° |
| C17 | C18 | C19 | 110.0° | 109.5° |
| C17 | C18 | H18 | 109.3° | 109.5° |
| C17 | C18 | H18A | 109.3° | 109.5° |
| H17 | C17 | H17A | 109.7° | 109.5° |
| C19 | C18 | H18 | 109.3° | 109.5° |
| C19 | C18 | H18A | 109.3° | 109.5° |
| C18 | C19 | C20 | 110.6° | 109.4° |
| C18 | C19 | H19 | 109.1° | 109.5° |
| C18 | C19 | H19A | 109.1° | 109.5° |
| H18 | C18 | H18A | 109.7° | 109.4° |
| C20 | C19 | H19 | 109.1° | 109.5° |
| C20 | C19 | H19A | 109.1° | 109.4° |
| C19 | C20 | C21 | 110.7° | 109.5° |
| C19 | C20 | H20 | 109.1° | 109.4° |
| C19 | C20 | H20A | 109.1° | 109.4° |
| H19 | C19 | H19A | 109.8° | 109.5° |
| C21 | C20 | H20 | 109.1° | 109.5° |
| C21 | C20 | H20A | 109.1° | 109.5° |
| C20 | C21 | H21 | 109.0° | 109.5° |
| C20 | C21 | H21A | 109.0° | 109.5° |
| H20 | C20 | H20A | 109.8° | 109.5° |
| H21 | C21 | H21A | 109.9° | 109.5° |
| N23 | C22 | H22 | 109.4° | 109.8° |
| N23 | C22 | H22A | 109.4° | 109.9° |
| C22 | N23 | N24 | 114.9° | 120.9° |
| C22 | N23 | C42 | 122.5° | 131.9° |
| H22 | C22 | H22A | 109.6° | 109.8° |
| N24 | N23 | C42 | 107.8° | 107.2° |
| N23 | N24 | C25 | 108.7° | 107.2° |
| N23 | C42 | N27 | 105.6° | 108.2° |
| N23 | C42 | O43 | 127.2° | 125.9° |
| N24 | C25 | O26 | 127.5° | 126.0° |
| N24 | C25 | N27 | 105.1° | 108.1° |
| O26 | C25 | N27 | 127.2° | 125.9° |
| C25 | N27 | C42 | 111.3° | 109.3° |
| C25 | N27 | C28 | 122.2° | 125.4° |
| C42 | N27 | C28 | 123.5° | 125.4° |
| N27 | C42 | O43 | 127.2° | 125.9° |
| N27 | C28 | C29 | 110.7° | 109.5° |
| N27 | C28 | H28 | 109.1° | 109.5° |
| N27 | C28 | H28A | 109.0° | 109.5° |
| C29 | C28 | H28 | 109.0° | 109.4° |
| C29 | C28 | H28A | 109.1° | 109.5° |
| C28 | C29 | N30 | 112.1° | 109.5° |
| C28 | C29 | H29 | 108.6° | 109.4° |
| C28 | C29 | H29A | 108.6° | 109.5° |
| H28 | C28 | H28A | 109.9° | 109.5° |
| N30 | C29 | H29 | 108.6° | 109.5° |
| N30 | C29 | H29A | 108.6° | 109.5° |
| C29 | N30 | C31 | 120.4° | 120.0° |
| C29 | N30 | HN30 | 119.8° | 119.9° |
| H29 | C29 | H29A | 110.3° | 109.5° |
| C31 | N30 | HN30 | 119.8° | 120.0° |
| N30 | C31 | C33 | 114.5° | 120.0° |
| N30 | C31 | O32 | 125.4° | 120.0° |
| C33 | C31 | O32 | 120.1° | 120.0° |
| C31 | C33 | C34 | 118.9° | 119.9° |
| C31 | C33 | C41 | 118.5° | 119.9° |
| C34 | C33 | C41 | 122.6° | 120.2° |
| C33 | C34 | C35 | 122.4° | 120.5° |
| C33 | C34 | H34 | 118.8° | 119.7° |
| C33 | C41 | C40 | 115.7° | 119.5° |
| C33 | C41 | H41 | 122.2° | 120.3° |
| C35 | C34 | H34 | 118.8° | 119.8° |
| C34 | C35 | C36 | 114.5° | 120.1° |
| C34 | C35 | H35 | 122.7° | 119.9° |
| C36 | C35 | H35 | 122.8° | 119.9° |
| C35 | C36 | N37 | 130.9° | 133.9° |
| C35 | C36 | C40 | 124.2° | 120.1° |
| N37 | C36 | C40 | 104.9° | 106.0° |
| C36 | N37 | C38 | 108.1° | 107.4° |
| C36 | N37 | HN37 | 125.9° | 126.3° |
| C36 | C40 | N39 | 110.2° | 106.9° |
| C36 | C40 | C41 | 120.6° | 119.6° |
| N37 | C38 | N39 | 110.8° | 110.1° |
| N37 | C38 | H38 | 124.6° | 125.0° |
| C38 | N37 | HN37 | 126.0° | 126.3° |
| N39 | C38 | H38 | 124.6° | 124.9° |
| C38 | N39 | C40 | 105.9° | 109.5° |
| N39 | C40 | C41 | 129.2° | 133.5° |
| C40 | C41 | H41 | 122.1° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | O3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C4 | C5 | 143.3° | 75.0° |
| C1 | C2 | C4 | N9 | 24.3° | 165.0° |
| C1 | C2 | C4 | H4 | 96.8° | 45.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | O3 | 0.0° | 180.0° |
| H1 | C1 | C2 | C4 | 179.8° | 0.0° |
| H1A | C1 | C2 | O3 | 120.0° | 60.0° |
| H1A | C1 | C2 | C4 | 60.2° | 120.0° |
| H1B | C1 | C2 | O3 | 120.0° | 60.0° |
| H1B | C1 | C2 | C4 | 59.8° | 120.0° |
| O3 | C2 | C4 | C5 | 36.9° | 105.0° |
| O3 | C2 | C4 | N9 | 155.9° | 15.0° |
| O3 | C2 | C4 | H4 | 83.0° | 135.0° |
| C2 | C4 | C5 | N9 | 116.9° | 120.1° |
| C2 | C4 | C5 | H4 | 121.9° | 120.0° |
| C2 | C4 | N9 | H4 | 121.8° | 120.0° |
| C2 | C4 | C5 | C6 | 156.5° | 175.0° |
| C2 | C4 | C5 | H5 | 83.5° | 65.0° |
| C2 | C4 | C5 | H5A | 36.5° | 54.9° |
| C2 | C4 | N9 | C10 | 110.5° | 85.0° |
| C2 | C4 | N9 | HN9 | 69.4° | 95.0° |
| C5 | C4 | N9 | H4 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5A | 120.7° | 120.0° |
| C4 | C5 | C6 | O8 | 157.1° | 0.0° |
| C4 | C5 | C6 | O7 | 23.3° | 180.0° |
| C5 | C4 | N9 | C10 | 131.2° | 155.0° |
| C5 | C4 | N9 | HN9 | 48.8° | 25.1° |
| N9 | C4 | C5 | C6 | 86.6° | 65.0° |
| N9 | C4 | C5 | H5 | 33.4° | 55.1° |
| N9 | C4 | C5 | H5A | 153.4° | 175.0° |
| C4 | N9 | C10 | HN9 | 180.0° | 179.9° |
| C4 | N9 | C10 | O11 | 3.0° | 0.0° |
| C4 | N9 | C10 | C12 | 177.0° | 180.0° |
| H4 | C4 | C5 | C6 | 34.6° | 55.0° |
| H4 | C4 | C5 | H5 | 154.6° | 175.0° |
| H4 | C4 | C5 | H5A | 85.4° | 65.0° |
| H4 | C4 | N9 | C10 | 11.2° | 35.0° |
| H4 | C4 | N9 | HN9 | 168.8° | 145.1° |
| C6 | C5 | H5 | H5A | 120.7° | 120.0° |
| C5 | C6 | O8 | O7 | 179.6° | 180.0° |
| C5 | C6 | O7 | HO7 | 179.5° | 179.9° |
| H5 | C5 | C6 | O8 | 37.1° | 120.0° |
| H5 | C5 | C6 | O7 | 143.3° | 60.0° |
| H5A | C5 | C6 | O8 | 82.9° | 120.0° |
| H5A | C5 | C6 | O7 | 96.7° | 60.0° |
| O8 | C6 | O7 | HO7 | 0.0° | 0.1° |
| N9 | C10 | O11 | C12 | 180.0° | 180.0° |
| N9 | C10 | C12 | C13 | 83.5° | 61.9° |
| N9 | C10 | C12 | N24 | 159.3° | 180.0° |
| N9 | C10 | C12 | H12 | 37.9° | 59.1° |
| HN9 | N9 | C10 | O11 | 177.0° | 179.9° |
| HN9 | N9 | C10 | C12 | 3.0° | 0.0° |
| O11 | C10 | C12 | C13 | 96.4° | 118.0° |
| O11 | C10 | C12 | N24 | 20.7° | 0.0° |
| O11 | C10 | C12 | H12 | 142.1° | 121.0° |
| C10 | C12 | C13 | N24 | 117.2° | 119.5° |
| C10 | C12 | C13 | H12 | 121.5° | 121.0° |
| C10 | C12 | N24 | H12 | 121.5° | 120.9° |
| C10 | C12 | C13 | C14 | 104.6° | 86.4° |
| C10 | C12 | C13 | H13 | 75.4° | 93.7° |
| C10 | C12 | N24 | N23 | 74.9° | 86.9° |
| C10 | C12 | N24 | C25 | 64.4° | 93.0° |
| C13 | C12 | N24 | H12 | 121.5° | 119.5° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 178.8° | 180.0° |
| C12 | C13 | C14 | C22 | 0.5° | 0.1° |
| C13 | C12 | N24 | N23 | 42.1° | 32.6° |
| C13 | C12 | N24 | C25 | 178.6° | 147.4° |
| N24 | C12 | C13 | C14 | 12.5° | 33.1° |
| N24 | C12 | C13 | H13 | 167.5° | 146.8° |
| C12 | N24 | N23 | C22 | 62.1° | 0.1° |
| C12 | N24 | N23 | C25 | 145.1° | 180.0° |
| C12 | N24 | N23 | C42 | 157.5° | 179.9° |
| C12 | N24 | C25 | O26 | 22.9° | 0.0° |
| C12 | N24 | C25 | N27 | 152.6° | 179.9° |
| H12 | C12 | C13 | C14 | 133.9° | 152.6° |
| H12 | C12 | C13 | H13 | 46.1° | 27.3° |
| H12 | C12 | N24 | N23 | 163.6° | 152.1° |
| H12 | C12 | N24 | C25 | 57.1° | 27.9° |
| C13 | C14 | C15 | C22 | 178.3° | 180.0° |
| C13 | C14 | C15 | C16 | 113.6° | 95.0° |
| C13 | C14 | C15 | H15 | 6.4° | 145.0° |
| C13 | C14 | C15 | H15A | 126.4° | 25.0° |
| C13 | C14 | C22 | N23 | 14.9° | 33.2° |
| C13 | C14 | C22 | H22 | 134.9° | 86.3° |
| C13 | C14 | C22 | H22A | 105.1° | 152.8° |
| H13 | C13 | C14 | C15 | 1.2° | 0.0° |
| H13 | C13 | C14 | C22 | 179.5° | 180.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 116.6° | 120.0° |
| C14 | C15 | C16 | C17 | 51.1° | 175.0° |
| C14 | C15 | C16 | C21 | 172.8° | 65.0° |
| C14 | C15 | C16 | H16 | 66.5° | 55.0° |
| C15 | C14 | C22 | N23 | 166.8° | 146.8° |
| C15 | C14 | C22 | H22 | 46.8° | 93.7° |
| C15 | C14 | C22 | H22A | 73.2° | 27.3° |
| C22 | C14 | C15 | C16 | 68.1° | 85.0° |
| C22 | C14 | C15 | H15 | 171.9° | 35.0° |
| C22 | C14 | C15 | H15A | 51.9° | 155.0° |
| C14 | C22 | N23 | H22 | 120.0° | 119.5° |
| C14 | C22 | N23 | H22A | 120.0° | 119.6° |
| C14 | C22 | H22 | H22A | 119.9° | 121.0° |
| C14 | C22 | N23 | N24 | 44.2° | 32.6° |
| C14 | C22 | N23 | C42 | 178.2° | 147.5° |
| C16 | C15 | H15 | H15A | 116.6° | 120.0° |
| C15 | C16 | C17 | C21 | 121.0° | 120.0° |
| C15 | C16 | C17 | H16 | 118.3° | 120.0° |
| C15 | C16 | C21 | H16 | 118.5° | 120.0° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C15 | C16 | C17 | H17 | 59.6° | 60.0° |
| C15 | C16 | C17 | H17A | 60.4° | 60.0° |
| C15 | C16 | C21 | C20 | 178.1° | 180.0° |
| C15 | C16 | C21 | H21 | 61.9° | 60.0° |
| C15 | C16 | C21 | H21A | 58.1° | 60.0° |
| H15 | C15 | C16 | C17 | 68.9° | 55.0° |
| H15 | C15 | C16 | C21 | 52.7° | 175.0° |
| H15 | C15 | C16 | H16 | 173.5° | 65.0° |
| H15A | C15 | C16 | C17 | 171.1° | 65.0° |
| H15A | C15 | C16 | C21 | 67.3° | 55.0° |
| H15A | C15 | C16 | H16 | 53.5° | 175.0° |
| C17 | C16 | C21 | H16 | 117.7° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 119.9° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17A | 119.8° | 120.0° |
| C16 | C17 | C18 | C19 | 59.5° | 60.0° |
| C16 | C17 | C18 | H18 | 60.5° | 60.0° |
| C16 | C17 | C18 | H18A | 179.5° | 180.0° |
| C17 | C16 | C21 | C20 | 58.0° | 60.0° |
| C17 | C16 | C21 | H21 | 62.0° | 60.0° |
| C17 | C16 | C21 | H21A | 178.0° | 180.0° |
| C21 | C16 | C17 | C18 | 59.4° | 60.0° |
| C21 | C16 | C17 | H17 | 179.4° | 180.0° |
| C21 | C16 | C17 | H17A | 60.6° | 60.0° |
| C16 | C21 | C20 | C19 | 56.6° | 60.0° |
| C16 | C21 | C20 | H21 | 120.0° | 120.0° |
| C16 | C21 | C20 | H21A | 120.0° | 120.0° |
| C16 | C21 | C20 | H20 | 63.4° | 59.9° |
| C16 | C21 | C20 | H20A | 176.6° | 180.0° |
| C16 | C21 | H21 | H21A | 119.4° | 120.0° |
| H16 | C16 | C17 | C18 | 61.3° | 60.0° |
| H16 | C16 | C17 | H17 | 58.6° | 60.0° |
| H16 | C16 | C17 | H17A | 178.7° | 180.0° |
| H16 | C16 | C21 | C20 | 59.7° | 60.0° |
| H16 | C16 | C21 | H21 | 179.7° | 180.0° |
| H16 | C16 | C21 | H21A | 60.3° | 60.0° |
| C18 | C17 | H17 | H17A | 119.8° | 120.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18A | 119.8° | 119.9° |
| C17 | C18 | C19 | C20 | 57.8° | 60.0° |
| C17 | C18 | C19 | H19 | 177.8° | 180.0° |
| C17 | C18 | C19 | H19A | 62.2° | 59.9° |
| H17 | C17 | C18 | C19 | 179.5° | 180.0° |
| H17 | C17 | C18 | H18 | 59.5° | 59.9° |
| H17 | C17 | C18 | H18A | 60.5° | 60.0° |
| H17A | C17 | C18 | C19 | 60.5° | 60.0° |
| H17A | C17 | C18 | H18 | 179.5° | 180.0° |
| H17A | C17 | C18 | H18A | 59.5° | 60.0° |
| C19 | C18 | H18 | H18A | 119.8° | 120.0° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 120.0° | 119.9° |
| C18 | C19 | H19 | H19A | 119.5° | 120.0° |
| C18 | C19 | C20 | C21 | 56.2° | 60.0° |
| C18 | C19 | C20 | H20 | 63.8° | 60.0° |
| C18 | C19 | C20 | H20A | 176.2° | 180.0° |
| H18 | C18 | C19 | C20 | 62.2° | 60.0° |
| H18 | C18 | C19 | H19 | 57.8° | 60.0° |
| H18 | C18 | C19 | H19A | 177.8° | 179.9° |
| H18A | C18 | C19 | C20 | 177.8° | 180.0° |
| H18A | C18 | C19 | H19 | 62.2° | 60.0° |
| H18A | C18 | C19 | H19A | 57.8° | 60.1° |
| C20 | C19 | H19 | H19A | 119.5° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 119.9° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 119.5° | 119.9° |
| C19 | C20 | C21 | H21 | 63.4° | 60.0° |
| C19 | C20 | C21 | H21A | 176.6° | 180.0° |
| H19 | C19 | C20 | C21 | 176.2° | 180.0° |
| H19 | C19 | C20 | H20 | 56.2° | 60.0° |
| H19 | C19 | C20 | H20A | 63.8° | 60.0° |
| H19A | C19 | C20 | C21 | 63.8° | 60.0° |
| H19A | C19 | C20 | H20 | 176.2° | 180.0° |
| H19A | C19 | C20 | H20A | 56.2° | 60.1° |
| C21 | C20 | H20 | H20A | 119.5° | 120.1° |
| C20 | C21 | H21 | H21A | 119.4° | 120.0° |
| H20 | C20 | C21 | H21 | 176.6° | 179.9° |
| H20 | C20 | C21 | H21A | 56.6° | 60.0° |
| H20A | C20 | C21 | H21 | 56.6° | 60.0° |
| H20A | C20 | C21 | H21A | 63.4° | 60.1° |
| N23 | C22 | H22 | H22A | 119.9° | 121.0° |
| C22 | N23 | N24 | C42 | 140.4° | 180.0° |
| C22 | N23 | N24 | C25 | 152.9° | 180.0° |
| C22 | N23 | C42 | N27 | 145.4° | 180.0° |
| C22 | N23 | C42 | O43 | 34.4° | 0.0° |
| H22 | C22 | N23 | N24 | 164.2° | 86.9° |
| H22 | C22 | N23 | C42 | 61.8° | 93.0° |
| H22A | C22 | N23 | N24 | 75.8° | 152.1° |
| H22A | C22 | N23 | C42 | 58.2° | 27.9° |
| N23 | N24 | C25 | O26 | 164.6° | 180.0° |
| N23 | N24 | C25 | N27 | 10.9° | 0.0° |
| N24 | N23 | C42 | N27 | 8.7° | 0.0° |
| N24 | N23 | C42 | O43 | 171.2° | 180.0° |
| C42 | N23 | N24 | C25 | 12.4° | 0.0° |
| N23 | C42 | N27 | C25 | 2.0° | 0.0° |
| N23 | C42 | N27 | O43 | 179.8° | 180.0° |
| N23 | C42 | N27 | C28 | 158.9° | 180.0° |
| N24 | C25 | O26 | N27 | 174.5° | 180.0° |
| N24 | C25 | N27 | C42 | 5.5° | 0.0° |
| N24 | C25 | N27 | C28 | 166.7° | 180.0° |
| O26 | C25 | N27 | C42 | 170.0° | 179.9° |
| O26 | C25 | N27 | C28 | 8.8° | 0.1° |
| C25 | N27 | C42 | C28 | 160.9° | 180.0° |
| C25 | N27 | C28 | C29 | 107.9° | 90.0° |
| C25 | N27 | C28 | H28 | 12.1° | 150.0° |
| C25 | N27 | C28 | H28A | 132.1° | 30.0° |
| C25 | N27 | C42 | O43 | 177.9° | 180.0° |
| C42 | N27 | C28 | C29 | 93.2° | 90.0° |
| C42 | N27 | C28 | H28 | 146.7° | 30.0° |
| C42 | N27 | C28 | H28A | 26.8° | 150.0° |
| N27 | C28 | C29 | H28 | 120.0° | 120.0° |
| N27 | C28 | C29 | H28A | 120.0° | 120.0° |
| N27 | C28 | H28 | H28A | 119.5° | 120.1° |
| N27 | C28 | C29 | N30 | 66.1° | 180.0° |
| N27 | C28 | C29 | H29 | 173.9° | 60.0° |
| N27 | C28 | C29 | H29A | 53.9° | 60.0° |
| C28 | N27 | C42 | O43 | 21.3° | 0.0° |
| C29 | C28 | H28 | H28A | 119.5° | 120.0° |
| C28 | C29 | N30 | H29 | 120.0° | 120.0° |
| C28 | C29 | N30 | H29A | 120.0° | 120.0° |
| C28 | C29 | H29 | H29A | 118.9° | 120.0° |
| C28 | C29 | N30 | C31 | 171.2° | 180.0° |
| C28 | C29 | N30 | HN30 | 8.8° | 0.1° |
| H28 | C28 | C29 | N30 | 53.9° | 60.0° |
| H28 | C28 | C29 | H29 | 66.1° | 180.0° |
| H28 | C28 | C29 | H29A | 173.9° | 60.0° |
| H28A | C28 | C29 | N30 | 173.9° | 60.0° |
| H28A | C28 | C29 | H29 | 53.9° | 60.0° |
| H28A | C28 | C29 | H29A | 66.1° | 180.0° |
| N30 | C29 | H29 | H29A | 119.0° | 120.0° |
| C29 | N30 | C31 | HN30 | 180.0° | 179.9° |
| C29 | N30 | C31 | C33 | 172.1° | 180.0° |
| C29 | N30 | C31 | O32 | 7.1° | 0.1° |
| H29 | C29 | N30 | C31 | 68.8° | 60.1° |
| H29 | C29 | N30 | HN30 | 111.2° | 120.0° |
| H29A | C29 | N30 | C31 | 51.2° | 60.0° |
| H29A | C29 | N30 | HN30 | 128.8° | 120.0° |
| N30 | C31 | C33 | O32 | 179.3° | 179.9° |
| N30 | C31 | C33 | C34 | 31.1° | 0.2° |
| N30 | C31 | C33 | C41 | 148.6° | 180.0° |
| HN30 | N30 | C31 | C33 | 7.9° | 0.1° |
| HN30 | N30 | C31 | O32 | 172.9° | 180.0° |
| C31 | C33 | C34 | C41 | 179.7° | 179.7° |
| C31 | C33 | C34 | C35 | 179.7° | 179.9° |
| C31 | C33 | C34 | H34 | 0.3° | 0.0° |
| C31 | C33 | C41 | C40 | 179.9° | 179.7° |
| C31 | C33 | C41 | H41 | 0.1° | 0.1° |
| O32 | C31 | C33 | C34 | 149.5° | 179.7° |
| O32 | C31 | C33 | C41 | 30.7° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.0° | 0.1° |
| C33 | C34 | C35 | H35 | 180.0° | 179.9° |
| C34 | C33 | C41 | C40 | 0.1° | 0.5° |
| C34 | C33 | C41 | H41 | 179.8° | 179.7° |
| C41 | C33 | C34 | C35 | 0.0° | 0.3° |
| C41 | C33 | C34 | H34 | 180.0° | 179.8° |
| C33 | C41 | C40 | C36 | 0.2° | 0.5° |
| C33 | C41 | C40 | N39 | 179.9° | 179.8° |
| C33 | C41 | C40 | H41 | 180.0° | 179.8° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | N37 | 180.0° | 180.0° |
| C34 | C35 | C36 | C40 | 0.1° | 0.0° |
| H34 | C34 | C35 | C36 | 180.0° | 180.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.0° |
| C35 | C36 | N37 | C40 | 179.9° | 179.9° |
| C35 | C36 | N37 | C38 | 180.0° | 180.0° |
| C35 | C36 | C40 | N39 | 180.0° | 180.0° |
| C35 | C36 | C40 | C41 | 0.2° | 0.3° |
| C35 | C36 | N37 | HN37 | 0.1° | 0.0° |
| H35 | C35 | C36 | N37 | 0.0° | 0.0° |
| H35 | C35 | C36 | C40 | 179.9° | 180.0° |
| C36 | N37 | C38 | HN37 | 180.0° | 180.0° |
| C36 | N37 | C38 | N39 | 0.1° | 0.0° |
| C36 | N37 | C38 | H38 | 179.9° | 180.0° |
| N37 | C36 | C40 | N39 | 0.1° | 0.0° |
| N37 | C36 | C40 | C41 | 179.8° | 179.8° |
| C40 | C36 | N37 | C38 | 0.1° | 0.0° |
| C36 | C40 | N39 | C38 | 0.1° | 0.0° |
| C36 | C40 | N39 | C41 | 179.7° | 179.7° |
| C36 | C40 | C41 | H41 | 179.7° | 179.7° |
| C40 | C36 | N37 | HN37 | 179.9° | 180.0° |
| N37 | C38 | N39 | H38 | 180.0° | 180.0° |
| N37 | C38 | N39 | C40 | 0.0° | 0.0° |
| C38 | N39 | C40 | C41 | 179.8° | 179.7° |
| N39 | C38 | N37 | HN37 | 179.9° | 180.0° |
| H38 | C38 | N39 | C40 | 180.0° | 180.0° |
| H38 | C38 | N37 | HN37 | 0.1° | 0.0° |
| N39 | C40 | C41 | H41 | 0.0° | 0.0° |
