2P2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | O4 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C5 | N9 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.55Å | 1.51Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C8 | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C10 | sing | 1.35Å | 1.34Å | |
| C10 | O11 | doub | 1.21Å | 1.24Å | |
| C10 | C12 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | sing | 1.55Å | 1.54Å | |
| C12 | N20 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| C14 | C15 | sing | 1.54Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | N20 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C21 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C3 | 102.1° | 109.5° |
| O2 | C1 | C5 | 111.0° | 109.5° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| C1 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C1 | C5 | 117.9° | 109.5° |
| C1 | C3 | O4 | 112.0° | 109.5° |
| C3 | C1 | H1 | 108.1° | 109.5° |
| C1 | C3 | H3 | 108.8° | 109.5° |
| C1 | C3 | H3A | 108.9° | 109.5° |
| C1 | C5 | C6 | 111.1° | 109.9° |
| C1 | C5 | N9 | 110.3° | 109.9° |
| C5 | C1 | H1 | 107.9° | 109.4° |
| C1 | C5 | H5 | 110.5° | 109.9° |
| O4 | C3 | H3 | 108.8° | 109.4° |
| O4 | C3 | H3A | 108.8° | 109.5° |
| C3 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | N9 | 102.4° | 107.2° |
| C5 | C6 | C7 | 108.7° | 103.0° |
| C6 | C5 | H5 | 110.7° | 109.9° |
| C5 | C6 | H6 | 109.7° | 110.7° |
| C5 | C6 | H6A | 109.6° | 110.7° |
| C5 | N9 | C8 | 112.9° | 108.7° |
| C5 | N9 | C10 | 121.3° | 125.6° |
| N9 | C5 | H5 | 111.6° | 110.0° |
| C6 | C7 | C8 | 106.5° | 101.6° |
| C7 | C6 | H6 | 109.6° | 110.8° |
| C7 | C6 | H6A | 109.7° | 110.7° |
| C6 | C7 | H7 | 110.2° | 111.1° |
| C6 | C7 | H7A | 110.2° | 111.1° |
| C7 | C8 | N9 | 104.9° | 104.8° |
| C8 | C7 | H7 | 110.2° | 111.0° |
| C8 | C7 | H7A | 110.2° | 111.0° |
| C7 | C8 | H8 | 110.6° | 110.4° |
| C7 | C8 | H8A | 110.6° | 110.4° |
| C8 | N9 | C10 | 125.8° | 125.7° |
| N9 | C8 | H8 | 110.6° | 110.4° |
| N9 | C8 | H8A | 110.6° | 110.4° |
| N9 | C10 | O11 | 124.8° | 120.0° |
| N9 | C10 | C12 | 112.5° | 120.0° |
| O11 | C10 | C12 | 122.7° | 120.0° |
| C10 | C12 | C13 | 113.2° | 110.4° |
| C10 | C12 | N20 | 117.6° | 110.3° |
| C10 | C12 | H12 | 107.5° | 110.3° |
| C13 | C12 | N20 | 103.0° | 104.8° |
| C12 | C13 | C14 | 105.4° | 101.6° |
| C13 | C12 | H12 | 107.0° | 110.4° |
| C12 | C13 | H13 | 110.5° | 111.0° |
| C12 | C13 | H13A | 110.5° | 111.0° |
| C12 | N20 | C15 | 116.0° | 108.7° |
| C12 | N20 | C21 | 117.9° | 125.6° |
| N20 | C12 | H12 | 108.0° | 110.5° |
| C13 | C14 | C15 | 105.2° | 103.0° |
| C14 | C13 | H13 | 110.5° | 111.0° |
| C14 | C13 | H13A | 110.5° | 111.0° |
| C13 | C14 | H14 | 110.6° | 110.7° |
| C13 | C14 | H14A | 110.6° | 110.7° |
| C14 | C15 | C16 | 115.0° | 109.9° |
| C14 | C15 | N20 | 99.9° | 107.2° |
| C15 | C14 | H14 | 110.5° | 110.7° |
| C15 | C14 | H14A | 110.5° | 110.7° |
| C14 | C15 | H15 | 107.5° | 109.9° |
| C16 | C15 | N20 | 118.2° | 109.9° |
| C15 | C16 | C17 | 112.7° | 109.4° |
| C15 | C16 | C18 | 116.3° | 109.5° |
| C15 | C16 | C19 | 106.0° | 109.5° |
| C16 | C15 | H15 | 107.2° | 109.9° |
| C15 | N20 | C21 | 125.8° | 125.6° |
| N20 | C15 | H15 | 108.5° | 110.0° |
| C17 | C16 | C18 | 106.6° | 109.5° |
| C17 | C16 | C19 | 104.4° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.4° |
| C16 | C17 | H17A | 109.5° | 109.5° |
| C16 | C17 | H17B | 109.4° | 109.5° |
| C18 | C16 | C19 | 110.3° | 109.5° |
| C16 | C18 | H18 | 109.5° | 109.5° |
| C16 | C18 | H18A | 109.5° | 109.5° |
| C16 | C18 | H18B | 109.5° | 109.5° |
| C16 | C19 | H19 | 109.5° | 109.5° |
| C16 | C19 | H19A | 109.5° | 109.4° |
| C16 | C19 | H19B | 109.4° | 109.4° |
| C29 | C20 | C31 | 120.6° | 120.0° |
| C20 | C29 | C28 | 120.5° | 120.0° |
| C29 | C20 | H20 | 119.7° | 120.0° |
| C20 | C29 | H29 | 119.8° | 120.0° |
| C20 | C31 | C26 | 118.9° | 120.0° |
| C31 | C20 | H20 | 119.7° | 120.0° |
| C20 | C31 | H31 | 120.6° | 120.0° |
| N20 | C21 | O22 | 120.4° | 120.0° |
| N20 | C21 | C23 | 120.0° | 120.0° |
| O22 | C21 | C23 | 119.6° | 120.0° |
| C21 | C23 | C24 | 111.2° | 109.5° |
| C21 | C23 | H23 | 109.1° | 109.4° |
| C21 | C23 | H23A | 109.0° | 109.5° |
| C23 | C24 | C25 | 114.7° | 109.4° |
| C24 | C23 | H23 | 109.1° | 109.5° |
| C24 | C23 | H23A | 109.1° | 109.5° |
| C23 | C24 | H24 | 108.2° | 109.4° |
| C23 | C24 | H24A | 108.1° | 109.5° |
| C24 | C25 | C26 | 111.8° | 109.4° |
| C25 | C24 | H24 | 108.1° | 109.5° |
| C25 | C24 | H24A | 108.1° | 109.5° |
| C24 | C25 | H25 | 108.9° | 109.4° |
| C24 | C25 | H25A | 108.9° | 109.5° |
| C25 | C26 | C27 | 119.3° | 120.0° |
| C25 | C26 | C31 | 120.0° | 120.0° |
| C26 | C25 | H25 | 108.9° | 109.5° |
| C26 | C25 | H25A | 108.9° | 109.5° |
| C27 | C26 | C31 | 120.7° | 120.0° |
| C26 | C27 | C28 | 120.5° | 120.0° |
| C26 | C27 | H27 | 119.8° | 120.0° |
| C26 | C31 | H31 | 120.5° | 120.0° |
| C27 | C28 | C29 | 118.8° | 120.0° |
| C28 | C27 | H27 | 119.8° | 120.0° |
| C27 | C28 | H28 | 120.6° | 120.0° |
| C29 | C28 | H28 | 120.6° | 120.0° |
| C28 | C29 | H29 | 119.8° | 120.0° |
| H3 | C3 | H3A | 109.4° | 109.5° |
| H6 | C6 | H6A | 109.5° | 110.8° |
| H7 | C7 | H7A | 109.5° | 110.9° |
| H8 | C8 | H8A | 109.5° | 110.4° |
| H13 | C13 | H13A | 109.5° | 110.8° |
| H14 | C14 | H14A | 109.4° | 110.8° |
| H17 | C17 | H17A | 109.4° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.4° |
| H18A | C18 | H18B | 109.4° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.4° |
| H23 | C23 | H23A | 109.4° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C3 | C5 | 121.9° | 120.0° |
| O2 | C1 | C3 | H1 | 115.4° | 120.0° |
| O2 | C1 | C5 | H1 | 120.1° | 120.0° |
| O2 | C1 | C3 | O4 | 167.9° | 71.0° |
| O2 | C1 | C5 | C6 | 47.7° | 79.9° |
| O2 | C1 | C5 | N9 | 65.2° | 37.9° |
| O2 | C1 | C3 | H3 | 47.5° | 48.9° |
| O2 | C1 | C3 | H3A | 71.7° | 169.0° |
| O2 | C1 | C5 | H5 | 170.9° | 159.1° |
| C3 | C1 | C5 | H1 | 122.7° | 120.0° |
| C1 | C3 | O4 | H3 | 120.4° | 119.9° |
| C1 | C3 | O4 | H3A | 120.4° | 120.1° |
| C3 | C1 | C5 | C6 | 164.9° | 160.1° |
| C3 | C1 | C5 | N9 | 52.0° | 82.2° |
| C3 | C1 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C3 | H3 | H3A | 118.8° | 120.1° |
| C1 | C3 | O4 | HO4 | 81.6° | 180.0° |
| C3 | C1 | C5 | H5 | 71.9° | 39.0° |
| C5 | C1 | C3 | O4 | 70.2° | 169.0° |
| C1 | C5 | C6 | N9 | 117.8° | 119.4° |
| C1 | C5 | C6 | H5 | 123.1° | 121.0° |
| C1 | C5 | N9 | H5 | 123.2° | 121.1° |
| C1 | C5 | C6 | C7 | 98.8° | 141.6° |
| C1 | C5 | N9 | C8 | 96.0° | 118.3° |
| C1 | C5 | N9 | C10 | 84.6° | 61.7° |
| C5 | C1 | O2 | HO2 | 53.5° | 60.0° |
| C5 | C1 | C3 | H3 | 169.4° | 71.1° |
| C5 | C1 | C3 | H3A | 50.2° | 48.9° |
| C1 | C5 | C6 | H6 | 21.0° | 23.2° |
| C1 | C5 | C6 | H6A | 141.3° | 100.1° |
| O4 | C3 | C1 | H1 | 52.4° | 49.0° |
| O4 | C3 | H3 | H3A | 118.8° | 120.0° |
| C6 | C5 | N9 | H5 | 118.4° | 119.5° |
| C5 | C6 | C7 | H6 | 119.9° | 118.4° |
| C5 | C6 | C7 | H6A | 119.9° | 118.3° |
| C5 | C6 | C7 | C8 | 9.7° | 35.5° |
| C6 | C5 | N9 | C8 | 22.4° | 1.0° |
| C6 | C5 | N9 | C10 | 157.0° | 178.9° |
| C6 | C5 | C1 | H1 | 72.4° | 40.1° |
| C5 | C6 | H6 | H6A | 120.3° | 123.2° |
| C5 | C6 | C7 | H7 | 109.9° | 153.6° |
| C5 | C6 | C7 | H7A | 129.2° | 82.5° |
| N9 | C5 | C6 | C7 | 19.0° | 22.2° |
| C5 | N9 | C8 | C7 | 16.9° | 24.1° |
| C5 | N9 | C8 | C10 | 179.4° | 179.9° |
| C5 | N9 | C10 | O11 | 1.6° | 0.1° |
| C5 | N9 | C10 | C12 | 178.5° | 179.9° |
| N9 | C5 | C1 | H1 | 174.7° | 157.9° |
| N9 | C5 | C6 | H6 | 138.8° | 96.2° |
| N9 | C5 | C6 | H6A | 100.9° | 140.6° |
| C5 | N9 | C8 | H8 | 102.3° | 94.7° |
| C5 | N9 | C8 | H8A | 136.2° | 142.9° |
| C6 | C7 | C8 | H7 | 119.5° | 118.1° |
| C6 | C7 | C8 | H7A | 119.5° | 118.1° |
| C6 | C7 | C8 | N9 | 3.7° | 37.0° |
| C7 | C6 | C5 | H5 | 138.0° | 97.4° |
| C7 | C6 | H6 | H6A | 120.3° | 123.2° |
| C6 | C7 | H7 | H7A | 121.4° | 124.0° |
| C6 | C7 | C8 | H8 | 115.6° | 81.8° |
| C6 | C7 | C8 | H8A | 123.0° | 155.9° |
| C7 | C8 | N9 | H8 | 119.3° | 118.8° |
| C7 | C8 | N9 | H8A | 119.3° | 118.8° |
| C7 | C8 | N9 | C10 | 162.4° | 155.8° |
| C8 | C7 | C6 | H6 | 129.6° | 82.9° |
| C8 | C7 | C6 | H6A | 110.2° | 153.9° |
| C8 | C7 | H7 | H7A | 121.4° | 123.8° |
| C7 | C8 | H8 | H8A | 122.1° | 122.3° |
| C8 | N9 | C10 | O11 | 177.7° | 179.8° |
| C8 | N9 | C10 | C12 | 2.1° | 0.2° |
| C8 | N9 | C5 | H5 | 140.8° | 120.5° |
| N9 | C8 | C7 | H7 | 123.3° | 155.1° |
| N9 | C8 | C7 | H7A | 115.8° | 81.1° |
| N9 | C8 | H8 | H8A | 122.1° | 122.3° |
| N9 | C10 | O11 | C12 | 179.8° | 180.0° |
| N9 | C10 | C12 | C13 | 74.9° | 55.4° |
| N9 | C10 | C12 | N20 | 165.0° | 170.7° |
| C10 | N9 | C5 | H5 | 38.6° | 59.4° |
| C10 | N9 | C8 | H8 | 78.3° | 85.3° |
| C10 | N9 | C8 | H8A | 43.2° | 37.0° |
| N9 | C10 | C12 | H12 | 43.0° | 66.9° |
| O11 | C10 | C12 | C13 | 105.2° | 124.6° |
| O11 | C10 | C12 | N20 | 14.8° | 9.2° |
| O11 | C10 | C12 | H12 | 136.8° | 113.2° |
| C10 | C12 | C13 | N20 | 128.1° | 118.8° |
| C10 | C12 | C13 | H12 | 118.2° | 122.2° |
| C10 | C12 | N20 | H12 | 121.7° | 122.3° |
| C10 | C12 | C13 | C14 | 143.8° | 81.8° |
| C10 | C12 | N20 | C15 | 119.9° | 94.7° |
| C10 | C12 | N20 | C21 | 66.2° | 85.3° |
| C10 | C12 | C13 | H13 | 24.4° | 36.3° |
| C10 | C12 | C13 | H13A | 96.8° | 160.1° |
| C13 | C12 | N20 | H12 | 112.9° | 118.9° |
| C12 | C13 | C14 | H13 | 119.3° | 118.1° |
| C12 | C13 | C14 | H13A | 119.4° | 118.1° |
| C12 | C13 | C14 | C15 | 30.1° | 35.5° |
| C13 | C12 | N20 | C15 | 5.4° | 24.1° |
| C13 | C12 | N20 | C21 | 168.5° | 155.9° |
| C12 | C13 | H13 | H13A | 121.9° | 123.9° |
| C12 | C13 | C14 | H14 | 149.4° | 82.9° |
| C12 | C13 | C14 | H14A | 89.3° | 153.8° |
| N20 | C12 | C13 | C14 | 15.7° | 37.0° |
| C12 | N20 | C15 | C14 | 23.4° | 1.0° |
| C12 | N20 | C15 | C16 | 102.0° | 118.4° |
| C12 | N20 | C15 | C21 | 173.3° | 179.9° |
| C12 | N20 | C21 | O22 | 4.4° | 174.2° |
| C12 | N20 | C21 | C23 | 177.3° | 5.8° |
| N20 | C12 | C13 | H13 | 103.7° | 155.1° |
| N20 | C12 | C13 | H13A | 135.0° | 81.1° |
| C12 | N20 | C15 | H15 | 135.7° | 120.5° |
| C13 | C14 | C15 | H14 | 119.4° | 118.4° |
| C13 | C14 | C15 | H14A | 119.3° | 118.3° |
| C13 | C14 | C15 | C16 | 96.1° | 141.6° |
| C13 | C14 | C15 | N20 | 31.4° | 22.2° |
| C14 | C13 | C12 | H12 | 98.0° | 156.0° |
| C14 | C13 | H13 | H13A | 121.9° | 123.9° |
| C13 | C14 | H14 | H14A | 122.0° | 123.2° |
| C13 | C14 | C15 | H15 | 144.6° | 97.3° |
| C14 | C15 | C16 | N20 | 117.7° | 117.7° |
| C14 | C15 | C16 | H15 | 119.4° | 121.0° |
| C14 | C15 | N20 | H15 | 112.3° | 119.5° |
| C14 | C15 | C16 | C17 | 175.1° | 51.2° |
| C14 | C15 | C16 | C18 | 51.6° | 171.2° |
| C14 | C15 | C16 | C19 | 71.3° | 68.8° |
| C14 | C15 | N20 | C21 | 149.9° | 178.9° |
| C15 | C14 | C13 | H13 | 89.3° | 153.6° |
| C15 | C14 | C13 | H13A | 149.5° | 82.6° |
| C15 | C14 | H14 | H14A | 122.0° | 123.2° |
| C16 | C15 | N20 | H15 | 122.3° | 121.2° |
| C15 | C16 | C17 | C18 | 128.7° | 120.0° |
| C15 | C16 | C17 | C19 | 114.6° | 120.0° |
| C15 | C16 | C18 | C19 | 120.7° | 120.0° |
| C16 | C15 | N20 | C21 | 84.6° | 61.7° |
| C16 | C15 | C14 | H14 | 23.2° | 23.2° |
| C16 | C15 | C14 | H14A | 144.5° | 100.1° |
| C15 | C16 | C17 | H17 | 180.0° | 60.0° |
| C15 | C16 | C17 | H17A | 60.0° | 180.0° |
| C15 | C16 | C17 | H17B | 60.0° | 60.0° |
| C15 | C16 | C18 | H18 | 180.0° | 82.1° |
| C15 | C16 | C18 | H18A | 60.0° | 157.9° |
| C15 | C16 | C18 | H18B | 60.0° | 37.8° |
| C15 | C16 | C19 | H19 | 180.0° | 47.8° |
| C15 | C16 | C19 | H19A | 60.0° | 167.8° |
| C15 | C16 | C19 | H19B | 60.0° | 72.3° |
| N20 | C15 | C16 | C17 | 57.5° | 168.9° |
| N20 | C15 | C16 | C18 | 66.1° | 71.1° |
| N20 | C15 | C16 | C19 | 171.0° | 49.0° |
| C15 | N20 | C21 | O22 | 177.7° | 5.8° |
| C15 | N20 | C21 | C23 | 4.1° | 174.2° |
| C15 | N20 | C12 | H12 | 118.4° | 143.0° |
| N20 | C15 | C14 | H14 | 150.8° | 96.2° |
| N20 | C15 | C14 | H14A | 87.9° | 140.6° |
| C17 | C16 | C18 | C19 | 112.7° | 120.0° |
| C17 | C16 | C15 | H15 | 65.4° | 69.8° |
| C16 | C17 | H17 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17B | 120.0° | 120.0° |
| C16 | C17 | H17A | H17B | 120.0° | 120.0° |
| C17 | C16 | C18 | H18 | 53.4° | 157.9° |
| C17 | C16 | C18 | H18A | 66.6° | 37.9° |
| C17 | C16 | C18 | H18B | 173.4° | 82.2° |
| C17 | C16 | C19 | H19 | 60.8° | 72.2° |
| C17 | C16 | C19 | H19A | 179.2° | 47.8° |
| C17 | C16 | C19 | H19B | 59.2° | 167.7° |
| C18 | C16 | C15 | H15 | 171.0° | 50.1° |
| C18 | C16 | C17 | H17 | 51.3° | 60.0° |
| C18 | C16 | C17 | H17A | 171.3° | 60.0° |
| C18 | C16 | C17 | H17B | 68.7° | 180.0° |
| C16 | C18 | H18 | H18A | 120.0° | 120.0° |
| C16 | C18 | H18 | H18B | 120.0° | 120.0° |
| C16 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C16 | C19 | H19 | 53.4° | 167.8° |
| C18 | C16 | C19 | H19A | 66.6° | 72.2° |
| C18 | C16 | C19 | H19B | 173.4° | 47.7° |
| C19 | C16 | C15 | H15 | 48.1° | 170.2° |
| C19 | C16 | C17 | H17 | 65.4° | 180.0° |
| C19 | C16 | C17 | H17A | 54.5° | 60.0° |
| C19 | C16 | C17 | H17B | 174.6° | 60.0° |
| C19 | C16 | C18 | H18 | 59.4° | 37.9° |
| C19 | C16 | C18 | H18A | 179.3° | 82.1° |
| C19 | C16 | C18 | H18B | 60.7° | 157.9° |
| C16 | C19 | H19 | H19A | 120.0° | 120.0° |
| C16 | C19 | H19 | H19B | 120.0° | 120.0° |
| C16 | C19 | H19A | H19B | 120.0° | 119.9° |
| C29 | C20 | C31 | H20 | 180.0° | 179.7° |
| C29 | C20 | C31 | C26 | 0.1° | 0.0° |
| C20 | C29 | C28 | C27 | 0.4° | 0.3° |
| C20 | C29 | C28 | H29 | 180.0° | 179.7° |
| C20 | C29 | C28 | H28 | 179.6° | 179.7° |
| C29 | C20 | C31 | H31 | 179.9° | 180.0° |
| C20 | C31 | C26 | C25 | 179.6° | 180.0° |
| C20 | C31 | C26 | C27 | 0.1° | 0.3° |
| C20 | C31 | C26 | H31 | 180.0° | 180.0° |
| C31 | C20 | C29 | C28 | 0.4° | 0.3° |
| C31 | C20 | C29 | H29 | 179.7° | 180.0° |
| N20 | C21 | O22 | C23 | 178.3° | 180.0° |
| N20 | C21 | C23 | C24 | 170.1° | 180.0° |
| C21 | N20 | C12 | H12 | 55.5° | 36.9° |
| C21 | N20 | C15 | H15 | 37.6° | 59.5° |
| N20 | C21 | C23 | H23 | 69.6° | 60.0° |
| N20 | C21 | C23 | H23A | 49.8° | 60.0° |
| O22 | C21 | C23 | C24 | 11.7° | 0.0° |
| O22 | C21 | C23 | H23 | 108.6° | 120.0° |
| O22 | C21 | C23 | H23A | 131.9° | 120.0° |
| C21 | C23 | C24 | H23 | 120.3° | 120.0° |
| C21 | C23 | C24 | H23A | 120.3° | 120.0° |
| C21 | C23 | C24 | C25 | 168.4° | 180.0° |
| C21 | C23 | H23 | H23A | 119.2° | 120.0° |
| C21 | C23 | C24 | H24 | 47.6° | 60.0° |
| C21 | C23 | C24 | H24A | 70.9° | 60.0° |
| C23 | C24 | C25 | H24 | 120.8° | 119.9° |
| C23 | C24 | C25 | H24A | 120.7° | 120.0° |
| C23 | C24 | C25 | C26 | 57.6° | 180.0° |
| C24 | C23 | H23 | H23A | 119.2° | 120.0° |
| C23 | C24 | H24 | H24A | 117.6° | 120.0° |
| C23 | C24 | C25 | H25 | 177.9° | 60.0° |
| C23 | C24 | C25 | H25A | 62.7° | 60.0° |
| C24 | C25 | C26 | H25 | 120.3° | 120.0° |
| C24 | C25 | C26 | H25A | 120.3° | 120.0° |
| C24 | C25 | C26 | C27 | 109.0° | 90.0° |
| C24 | C25 | C26 | C31 | 70.7° | 90.3° |
| C25 | C24 | C23 | H23 | 71.4° | 60.0° |
| C25 | C24 | C23 | H23A | 48.1° | 60.0° |
| C25 | C24 | H24 | H24A | 117.6° | 120.1° |
| C24 | C25 | H25 | H25A | 118.9° | 120.0° |
| C25 | C26 | C27 | C31 | 179.7° | 179.7° |
| C25 | C26 | C27 | C28 | 179.6° | 180.0° |
| C26 | C25 | C24 | H24 | 63.2° | 60.0° |
| C26 | C25 | C24 | H24A | 178.3° | 60.0° |
| C26 | C25 | H25 | H25A | 119.0° | 120.0° |
| C25 | C26 | C27 | H27 | 0.4° | 0.1° |
| C25 | C26 | C31 | H31 | 0.4° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C27 | C26 | C25 | H25 | 130.6° | 30.0° |
| C27 | C26 | C25 | H25A | 11.3° | 150.0° |
| C26 | C27 | C28 | H28 | 179.9° | 179.9° |
| C27 | C26 | C31 | H31 | 179.9° | 179.7° |
| C31 | C26 | C27 | C28 | 0.1° | 0.3° |
| C26 | C31 | C20 | H20 | 179.9° | 179.7° |
| C31 | C26 | C25 | H25 | 49.7° | 149.7° |
| C31 | C26 | C25 | H25A | 169.0° | 29.7° |
| C31 | C26 | C27 | H27 | 179.9° | 179.7° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.6° | 180.0° |
| C28 | C29 | C20 | H20 | 179.6° | 180.0° |
| C29 | C28 | C27 | H27 | 179.8° | 180.0° |
| H1 | C1 | O2 | HO2 | 65.6° | 180.0° |
| H1 | C1 | C3 | H3 | 68.0° | 168.9° |
| H1 | C1 | C3 | H3A | 172.8° | 71.0° |
| H1 | C1 | C5 | H5 | 50.8° | 80.9° |
| H3 | C3 | O4 | HO4 | 158.0° | 60.0° |
| H3A | C3 | O4 | HO4 | 38.8° | 60.0° |
| H5 | C5 | C6 | H6 | 102.1° | 144.2° |
| H5 | C5 | C6 | H6A | 18.2° | 21.0° |
| H6 | C6 | C7 | H7 | 10.0° | 35.2° |
| H6 | C6 | C7 | H7A | 110.9° | 159.1° |
| H6A | C6 | C7 | H7 | 130.2° | 88.1° |
| H6A | C6 | C7 | H7A | 9.3° | 35.8° |
| H7 | C7 | C8 | H8 | 4.0° | 36.3° |
| H7 | C7 | C8 | H8A | 117.5° | 86.0° |
| H7A | C7 | C8 | H8 | 124.9° | 160.0° |
| H7A | C7 | C8 | H8A | 3.4° | 37.7° |
| H12 | C12 | C13 | H13 | 142.6° | 85.9° |
| H12 | C12 | C13 | H13A | 21.4° | 37.9° |
| H13 | C13 | C14 | H14 | 30.1° | 35.2° |
| H13 | C13 | C14 | H14A | 151.4° | 88.1° |
| H13A | C13 | C14 | H14 | 91.2° | 159.0° |
| H13A | C13 | C14 | H14A | 30.1° | 35.7° |
| H14 | C14 | C15 | H15 | 96.1° | 144.3° |
| H14A | C14 | C15 | H15 | 25.2° | 21.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | C29 | H29 | 0.4° | 0.3° |
| H20 | C20 | C31 | H31 | 0.1° | 0.2° |
| H23 | C23 | C24 | H24 | 167.9° | 60.0° |
| H23 | C23 | C24 | H24A | 49.4° | 179.9° |
| H23A | C23 | C24 | H24 | 72.7° | 180.0° |
| H23A | C23 | C24 | H24A | 168.8° | 60.0° |
| H24 | C24 | C25 | H25 | 57.1° | 180.0° |
| H24 | C24 | C25 | H25A | 176.5° | 60.0° |
| H24A | C24 | C25 | H25 | 61.3° | 60.0° |
| H24A | C24 | C25 | H25A | 58.0° | 180.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.0° |
| H28 | C28 | C29 | H29 | 0.4° | 0.0° |
