CNO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.34Å | 1.24Å | |
| C1 | O3 | doub | 1.21Å | 1.24Å | |
| C1 | C4 | sing | 1.51Å | 1.49Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | O7 | sing | 1.43Å | 1.44Å | |
| C5 | HC51 | sing | 1.09Å | 1.10Å | |
| C5 | HC52 | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å | |
| C6 | HC61 | sing | 1.09Å | 1.10Å | |
| C6 | HC62 | sing | 1.09Å | 1.10Å | |
| C6 | HC63 | sing | 1.09Å | 1.10Å | |
| O7 | C8 | sing | 1.36Å | 1.49Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | HC9 | sing | 1.08Å | 1.08Å | |
| C10 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H10C | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H11C | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H12C | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.51Å | 1.45Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | doub | 1.21Å | 1.21Å | |
| C15 | N17 | sing | 1.35Å | 1.39Å | |
| N17 | C18 | sing | 1.40Å | 1.39Å | |
| N17 | H17N | sing | 0.97Å | 1.00Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | H19C | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20C | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21C | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | H22C | sing | 1.08Å | 1.08Å | |
| C23 | N24 | sing | 1.40Å | 1.39Å | |
| N24 | C25 | sing | 1.35Å | 1.38Å | |
| N24 | H24N | sing | 0.97Å | 1.00Å | |
| C25 | O26 | doub | 1.21Å | 1.22Å | |
| C25 | C27 | sing | 1.51Å | 1.55Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.30Å | Aromatic |
| C29 | H29C | sing | 1.08Å | 1.08Å | |
| C30 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | H30C | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.38Å | 1.45Å | Aromatic |
| C31 | H31C | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | H32C | sing | 1.08Å | 1.08Å | |
| C33 | O34 | sing | 1.36Å | 1.55Å | |
| O34 | C35 | sing | 1.43Å | 1.48Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | C37 | sing | 1.53Å | 1.50Å | |
| C35 | C38 | sing | 1.51Å | 1.49Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C38 | O39 | doub | 1.21Å | 1.23Å | |
| C38 | O40 | sing | 1.34Å | 1.24Å | |
| O40 | H40O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O3 | 120.9° | 120.0° |
| O2 | C1 | C4 | 118.7° | 120.1° |
| C1 | O2 | HO2 | 109.5° | 120.1° |
| O3 | C1 | C4 | 120.3° | 120.0° |
| C1 | C4 | C5 | 110.9° | 109.4° |
| C1 | C4 | C6 | 108.2° | 109.5° |
| C1 | C4 | O7 | 108.7° | 109.5° |
| C5 | C4 | C6 | 108.4° | 109.5° |
| C5 | C4 | O7 | 111.1° | 109.5° |
| C4 | C5 | HC51 | 109.5° | 109.5° |
| C4 | C5 | HC52 | 109.5° | 109.5° |
| C4 | C5 | H53C | 109.5° | 109.5° |
| C6 | C4 | O7 | 109.4° | 109.5° |
| C4 | C6 | HC61 | 109.5° | 109.5° |
| C4 | C6 | HC62 | 109.5° | 109.5° |
| C4 | C6 | HC63 | 109.5° | 109.4° |
| C4 | O7 | C8 | 124.9° | 106.8° |
| HC51 | C5 | HC52 | 109.5° | 109.4° |
| HC51 | C5 | H53C | 109.4° | 109.5° |
| HC52 | C5 | H53C | 109.5° | 109.4° |
| HC61 | C6 | HC62 | 109.5° | 109.5° |
| HC61 | C6 | HC63 | 109.4° | 109.5° |
| HC62 | C6 | HC63 | 109.5° | 109.4° |
| O7 | C8 | C9 | 119.5° | 120.0° |
| O7 | C8 | C11 | 121.5° | 120.1° |
| C9 | C8 | C11 | 119.0° | 119.9° |
| C8 | C9 | C10 | 120.5° | 119.9° |
| C8 | C9 | HC9 | 119.7° | 120.0° |
| C8 | C11 | C12 | 120.4° | 120.0° |
| C8 | C11 | H11C | 119.8° | 120.0° |
| C10 | C9 | HC9 | 119.8° | 120.0° |
| C9 | C10 | C13 | 120.1° | 120.0° |
| C9 | C10 | H10C | 120.0° | 120.0° |
| C13 | C10 | H10C | 120.0° | 120.0° |
| C10 | C13 | C12 | 119.6° | 120.2° |
| C10 | C13 | C14 | 120.4° | 119.9° |
| C12 | C11 | H11C | 119.8° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C11 | C12 | H12C | 119.8° | 120.0° |
| C13 | C12 | H12C | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.0° | 119.9° |
| C13 | C14 | C15 | 114.7° | 109.5° |
| C13 | C14 | H141 | 106.6° | 109.5° |
| C13 | C14 | H142 | 107.8° | 109.5° |
| C15 | C14 | H141 | 106.6° | 109.5° |
| C15 | C14 | H142 | 107.8° | 109.4° |
| C14 | C15 | O16 | 118.2° | 120.0° |
| C14 | C15 | N17 | 117.7° | 120.0° |
| H141 | C14 | H142 | 113.6° | 109.5° |
| O16 | C15 | N17 | 123.0° | 119.9° |
| C15 | N17 | C18 | 124.7° | 120.0° |
| C15 | N17 | H17N | 117.6° | 119.9° |
| C18 | N17 | H17N | 117.7° | 120.1° |
| N17 | C18 | C19 | 119.6° | 120.0° |
| N17 | C18 | C20 | 120.4° | 120.1° |
| C19 | C18 | C20 | 120.0° | 119.9° |
| C18 | C19 | C23 | 120.3° | 119.8° |
| C18 | C19 | H19C | 119.8° | 120.1° |
| C18 | C20 | C21 | 119.1° | 120.1° |
| C18 | C20 | H20C | 120.5° | 120.0° |
| C23 | C19 | H19C | 119.8° | 120.1° |
| C19 | C23 | C22 | 119.6° | 119.9° |
| C19 | C23 | N24 | 119.1° | 120.1° |
| C21 | C20 | H20C | 120.5° | 119.9° |
| C20 | C21 | C22 | 121.1° | 120.2° |
| C20 | C21 | H21C | 119.5° | 119.9° |
| C22 | C21 | H21C | 119.5° | 119.9° |
| C21 | C22 | C23 | 119.9° | 120.1° |
| C21 | C22 | H22C | 120.0° | 120.0° |
| C23 | C22 | H22C | 120.0° | 119.9° |
| C22 | C23 | N24 | 121.3° | 120.0° |
| C23 | N24 | C25 | 124.3° | 120.0° |
| C23 | N24 | H24N | 117.8° | 120.0° |
| C25 | N24 | H24N | 117.9° | 120.0° |
| N24 | C25 | O26 | 121.9° | 120.0° |
| N24 | C25 | C27 | 117.0° | 120.0° |
| O26 | C25 | C27 | 117.4° | 120.0° |
| C25 | C27 | C28 | 112.4° | 109.5° |
| C25 | C27 | H271 | 107.9° | 109.5° |
| C25 | C27 | H272 | 108.5° | 109.5° |
| C28 | C27 | H271 | 107.8° | 109.5° |
| C28 | C27 | H272 | 108.5° | 109.5° |
| C27 | C28 | C29 | 117.6° | 120.0° |
| C27 | C28 | C31 | 123.4° | 120.0° |
| H271 | C27 | H272 | 111.8° | 109.4° |
| C29 | C28 | C31 | 119.0° | 120.0° |
| C28 | C29 | C30 | 121.8° | 120.1° |
| C28 | C29 | H29C | 119.1° | 119.9° |
| C28 | C31 | C32 | 118.0° | 120.1° |
| C28 | C31 | H31C | 121.0° | 120.0° |
| C30 | C29 | H29C | 119.1° | 120.0° |
| C29 | C30 | C33 | 123.8° | 120.0° |
| C29 | C30 | H30C | 118.1° | 120.1° |
| C33 | C30 | H30C | 118.1° | 120.0° |
| C30 | C33 | C32 | 118.1° | 119.9° |
| C30 | C33 | O34 | 119.7° | 120.1° |
| C32 | C31 | H31C | 121.0° | 119.9° |
| C31 | C32 | C33 | 119.2° | 119.9° |
| C31 | C32 | H32C | 120.4° | 120.1° |
| C33 | C32 | H32C | 120.4° | 120.0° |
| C32 | C33 | O34 | 122.2° | 120.0° |
| C33 | O34 | C35 | 125.7° | 106.8° |
| O34 | C35 | C36 | 115.2° | 109.5° |
| O34 | C35 | C37 | 107.4° | 109.4° |
| O34 | C35 | C38 | 109.5° | 109.5° |
| C36 | C35 | C37 | 106.9° | 109.4° |
| C36 | C35 | C38 | 109.2° | 109.5° |
| C35 | C36 | H361 | 109.5° | 109.4° |
| C35 | C36 | H362 | 109.4° | 109.6° |
| C35 | C36 | H363 | 109.5° | 109.5° |
| C37 | C35 | C38 | 108.4° | 109.5° |
| C35 | C37 | H371 | 109.4° | 109.5° |
| C35 | C37 | H372 | 109.5° | 109.4° |
| C35 | C37 | H373 | 109.5° | 109.4° |
| C35 | C38 | O39 | 118.8° | 120.0° |
| C35 | C38 | O40 | 120.6° | 120.0° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.4° | 109.4° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.4° | 109.5° |
| O39 | C38 | O40 | 120.5° | 120.0° |
| C38 | O40 | H40O | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O3 | C4 | 174.5° | 180.0° |
| O2 | C1 | C4 | C5 | 154.9° | 60.0° |
| O2 | C1 | C4 | C6 | 86.2° | 60.0° |
| O2 | C1 | C4 | O7 | 32.5° | 180.0° |
| O3 | C1 | O2 | HO2 | 0.0° | 0.0° |
| O3 | C1 | C4 | C5 | 19.7° | 120.0° |
| O3 | C1 | C4 | C6 | 99.1° | 120.0° |
| O3 | C1 | C4 | O7 | 142.1° | 0.0° |
| C4 | C1 | O2 | HO2 | 174.6° | 180.0° |
| C1 | C4 | C5 | C6 | 118.7° | 120.0° |
| C1 | C4 | C5 | O7 | 121.0° | 120.0° |
| C1 | C4 | C6 | O7 | 118.3° | 120.0° |
| C1 | C4 | C5 | HC51 | 145.4° | 60.1° |
| C1 | C4 | C5 | HC52 | 94.6° | 179.9° |
| C1 | C4 | C5 | H53C | 25.4° | 60.0° |
| C1 | C4 | C6 | HC61 | 102.8° | 56.5° |
| C1 | C4 | C6 | HC62 | 17.3° | 63.5° |
| C1 | C4 | C6 | HC63 | 137.2° | 176.5° |
| C1 | C4 | O7 | C8 | 71.8° | 176.5° |
| C5 | C4 | C6 | O7 | 121.4° | 120.0° |
| C4 | C5 | HC51 | HC52 | 120.0° | 120.0° |
| C4 | C5 | HC51 | H53C | 120.0° | 120.1° |
| C4 | C5 | HC52 | H53C | 120.0° | 120.0° |
| C5 | C4 | C6 | HC61 | 136.9° | 176.5° |
| C5 | C4 | C6 | HC62 | 103.1° | 56.5° |
| C5 | C4 | C6 | HC63 | 16.9° | 63.5° |
| C5 | C4 | O7 | C8 | 50.4° | 56.5° |
| C6 | C4 | C5 | HC51 | 95.9° | 179.9° |
| C6 | C4 | C5 | HC52 | 24.1° | 59.9° |
| C6 | C4 | C5 | H53C | 144.1° | 60.0° |
| C4 | C6 | HC61 | HC62 | 120.0° | 120.0° |
| C4 | C6 | HC61 | HC63 | 120.0° | 120.0° |
| C4 | C6 | HC62 | HC63 | 120.0° | 119.9° |
| C6 | C4 | O7 | C8 | 170.1° | 63.5° |
| O7 | C4 | C5 | HC51 | 24.4° | 59.9° |
| O7 | C4 | C5 | HC52 | 144.4° | 60.1° |
| O7 | C4 | C5 | H53C | 95.6° | 180.0° |
| O7 | C4 | C6 | HC61 | 15.5° | 63.5° |
| O7 | C4 | C6 | HC62 | 135.6° | 176.4° |
| O7 | C4 | C6 | HC63 | 104.4° | 56.5° |
| C4 | O7 | C8 | C9 | 148.0° | 91.9° |
| C4 | O7 | C8 | C11 | 32.5° | 88.4° |
| HC51 | C5 | HC52 | H53C | 120.0° | 120.0° |
| HC61 | C6 | HC62 | HC63 | 120.0° | 120.1° |
| O7 | C8 | C9 | C11 | 179.4° | 179.7° |
| O7 | C8 | C9 | C10 | 179.6° | 180.0° |
| O7 | C8 | C9 | HC9 | 0.5° | 0.1° |
| O7 | C8 | C11 | C12 | 179.5° | 179.7° |
| O7 | C8 | C11 | H11C | 0.5° | 0.3° |
| C8 | C9 | C10 | HC9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C13 | 0.2° | 0.0° |
| C8 | C9 | C10 | H10C | 179.9° | 179.9° |
| C9 | C8 | C11 | C12 | 0.1° | 0.6° |
| C9 | C8 | C11 | H11C | 179.9° | 179.9° |
| C11 | C8 | C9 | C10 | 0.1° | 0.3° |
| C11 | C8 | C9 | HC9 | 179.9° | 179.7° |
| C8 | C11 | C12 | H11C | 180.0° | 179.5° |
| C8 | C11 | C12 | C13 | 0.1° | 0.6° |
| C8 | C11 | C12 | H12C | 179.9° | 179.7° |
| C9 | C10 | C13 | H10C | 180.0° | 180.0° |
| C9 | C10 | C13 | C12 | 0.2° | 0.0° |
| C9 | C10 | C13 | C14 | 179.7° | 180.0° |
| HC9 | C9 | C10 | C13 | 179.9° | 180.0° |
| HC9 | C9 | C10 | H10C | 0.1° | 0.0° |
| C10 | C13 | C12 | C11 | 0.2° | 0.3° |
| C10 | C13 | C12 | C14 | 179.9° | 180.0° |
| C10 | C13 | C12 | H12C | 179.8° | 180.0° |
| C10 | C13 | C14 | C15 | 62.2° | 90.0° |
| C10 | C13 | C14 | H141 | 55.5° | 150.0° |
| C10 | C13 | C14 | H142 | 177.8° | 30.0° |
| H10C | C10 | C13 | C12 | 179.8° | 180.0° |
| H10C | C10 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H12C | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 179.8° | 179.8° |
| H11C | C11 | C12 | C13 | 179.9° | 180.0° |
| H11C | C11 | C12 | H12C | 0.1° | 0.2° |
| C12 | C13 | C14 | C15 | 117.7° | 90.0° |
| C12 | C13 | C14 | H141 | 124.6° | 30.0° |
| C12 | C13 | C14 | H142 | 2.3° | 150.0° |
| H12C | C12 | C13 | C14 | 0.2° | 0.0° |
| C13 | C14 | C15 | H141 | 117.7° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 118.5° | 120.1° |
| C13 | C14 | C15 | O16 | 8.5° | 0.0° |
| C13 | C14 | C15 | N17 | 176.7° | 180.0° |
| C15 | C14 | H141 | H142 | 118.6° | 120.0° |
| C14 | C15 | O16 | N17 | 167.6° | 180.0° |
| C14 | C15 | N17 | C18 | 179.8° | 174.8° |
| C14 | C15 | N17 | H17N | 0.2° | 5.2° |
| H141 | C14 | C15 | O16 | 126.1° | 119.9° |
| H141 | C14 | C15 | N17 | 65.6° | 60.0° |
| H142 | C14 | C15 | O16 | 111.5° | 120.1° |
| H142 | C14 | C15 | N17 | 56.7° | 60.0° |
| O16 | C15 | N17 | C18 | 12.6° | 5.2° |
| O16 | C15 | N17 | H17N | 167.4° | 174.9° |
| C15 | N17 | C18 | H17N | 180.0° | 180.0° |
| C15 | N17 | C18 | C19 | 10.8° | 146.3° |
| C15 | N17 | C18 | C20 | 170.4° | 33.9° |
| N17 | C18 | C19 | C20 | 178.7° | 179.8° |
| N17 | C18 | C19 | C23 | 178.7° | 179.7° |
| N17 | C18 | C19 | H19C | 1.3° | 0.2° |
| N17 | C18 | C20 | C21 | 179.0° | 180.0° |
| N17 | C18 | C20 | H20C | 1.0° | 0.0° |
| H17N | N17 | C18 | C19 | 169.2° | 33.7° |
| H17N | N17 | C18 | C20 | 9.5° | 146.1° |
| C18 | C19 | C23 | H19C | 180.0° | 179.5° |
| C19 | C18 | C20 | C21 | 0.3° | 0.2° |
| C19 | C18 | C20 | H20C | 179.7° | 179.8° |
| C18 | C19 | C23 | C22 | 0.1° | 0.5° |
| C18 | C19 | C23 | N24 | 180.0° | 179.7° |
| C20 | C18 | C19 | C23 | 0.1° | 0.5° |
| C20 | C18 | C19 | H19C | 180.0° | 180.0° |
| C18 | C20 | C21 | H20C | 180.0° | 180.0° |
| C18 | C20 | C21 | C22 | 0.6° | 0.0° |
| C18 | C20 | C21 | H21C | 179.4° | 180.0° |
| C19 | C23 | C22 | C21 | 0.3° | 0.2° |
| C19 | C23 | C22 | N24 | 179.9° | 179.8° |
| C19 | C23 | C22 | H22C | 179.7° | 179.8° |
| C19 | C23 | N24 | C25 | 178.3° | 145.8° |
| C19 | C23 | N24 | H24N | 1.6° | 34.1° |
| H19C | C19 | C23 | C22 | 180.0° | 180.0° |
| H19C | C19 | C23 | N24 | 0.0° | 0.2° |
| C20 | C21 | C22 | H21C | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C21 | C22 | H22C | 179.4° | 180.0° |
| H20C | C20 | C21 | C22 | 179.4° | 180.0° |
| H20C | C20 | C21 | H21C | 0.6° | 0.0° |
| C21 | C22 | C23 | H22C | 180.0° | 180.0° |
| C21 | C22 | C23 | N24 | 179.7° | 180.0° |
| H21C | C21 | C22 | C23 | 179.4° | 180.0° |
| H21C | C21 | C22 | H22C | 0.6° | 0.0° |
| C22 | C23 | N24 | C25 | 1.7° | 34.0° |
| C22 | C23 | N24 | H24N | 178.3° | 146.1° |
| H22C | C22 | C23 | N24 | 0.4° | 0.1° |
| C23 | N24 | C25 | H24N | 180.0° | 179.9° |
| C23 | N24 | C25 | O26 | 23.0° | 5.1° |
| C23 | N24 | C25 | C27 | 179.2° | 174.9° |
| N24 | C25 | O26 | C27 | 157.7° | 180.0° |
| N24 | C25 | C27 | C28 | 140.6° | 180.0° |
| N24 | C25 | C27 | H271 | 21.8° | 60.0° |
| N24 | C25 | C27 | H272 | 99.4° | 59.9° |
| H24N | N24 | C25 | O26 | 157.0° | 174.8° |
| H24N | N24 | C25 | C27 | 0.8° | 5.2° |
| O26 | C25 | C27 | C28 | 60.7° | 0.0° |
| O26 | C25 | C27 | H271 | 179.4° | 120.0° |
| O26 | C25 | C27 | H272 | 59.3° | 120.0° |
| C25 | C27 | C28 | H271 | 118.8° | 120.1° |
| C25 | C27 | C28 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H272 | 119.2° | 120.0° |
| C25 | C27 | C28 | C29 | 5.9° | 90.0° |
| C25 | C27 | C28 | C31 | 174.1° | 90.2° |
| C28 | C27 | H271 | H272 | 119.2° | 120.0° |
| C27 | C28 | C29 | C31 | 180.0° | 179.8° |
| C27 | C28 | C29 | C30 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29C | 0.0° | 0.1° |
| C27 | C28 | C31 | C32 | 180.0° | 179.8° |
| C27 | C28 | C31 | H31C | 0.0° | 0.1° |
| H271 | C27 | C28 | C29 | 112.9° | 30.1° |
| H271 | C27 | C28 | C31 | 67.1° | 149.7° |
| H272 | C27 | C28 | C29 | 125.9° | 150.0° |
| H272 | C27 | C28 | C31 | 54.1° | 29.8° |
| C28 | C29 | C30 | H29C | 180.0° | 179.9° |
| C28 | C29 | C30 | C33 | 0.0° | 0.0° |
| C28 | C29 | C30 | H30C | 180.0° | 179.9° |
| C29 | C28 | C31 | C32 | 0.0° | 0.5° |
| C29 | C28 | C31 | H31C | 180.0° | 179.9° |
| C31 | C28 | C29 | C30 | 0.0° | 0.3° |
| C31 | C28 | C29 | H29C | 180.0° | 179.8° |
| C28 | C31 | C32 | H31C | 180.0° | 179.6° |
| C28 | C31 | C32 | C33 | 0.0° | 0.4° |
| C28 | C31 | C32 | H32C | 180.0° | 179.8° |
| C29 | C30 | C33 | H30C | 180.0° | 180.0° |
| C29 | C30 | C33 | C32 | 0.1° | 0.0° |
| C29 | C30 | C33 | O34 | 179.6° | 179.9° |
| H29C | C29 | C30 | C33 | 180.0° | 179.9° |
| H29C | C29 | C30 | H30C | 0.0° | 0.1° |
| C30 | C33 | C32 | C31 | 0.0° | 0.2° |
| C30 | C33 | C32 | O34 | 179.6° | 179.9° |
| C30 | C33 | C32 | H32C | 180.0° | 179.9° |
| C30 | C33 | O34 | C35 | 27.2° | 87.3° |
| H30C | C30 | C33 | C32 | 179.9° | 180.0° |
| H30C | C30 | C33 | O34 | 0.4° | 0.1° |
| C31 | C32 | C33 | H32C | 180.0° | 179.8° |
| C31 | C32 | C33 | O34 | 179.6° | 179.7° |
| H31C | C31 | C32 | C33 | 180.0° | 180.0° |
| H31C | C31 | C32 | H32C | 0.0° | 0.2° |
| C32 | C33 | O34 | C35 | 153.3° | 92.8° |
| H32C | C32 | C33 | O34 | 0.4° | 0.1° |
| C33 | O34 | C35 | C36 | 32.8° | 54.7° |
| C33 | O34 | C35 | C37 | 151.7° | 65.3° |
| C33 | O34 | C35 | C38 | 90.8° | 174.8° |
| O34 | C35 | C36 | C37 | 119.2° | 120.0° |
| O34 | C35 | C36 | C38 | 123.7° | 120.1° |
| O34 | C35 | C37 | C38 | 118.2° | 120.0° |
| O34 | C35 | C36 | H361 | 104.1° | 54.1° |
| O34 | C35 | C36 | H362 | 15.9° | 65.9° |
| O34 | C35 | C36 | H363 | 135.9° | 174.0° |
| O34 | C35 | C37 | H371 | 159.7° | 53.2° |
| O34 | C35 | C37 | H372 | 80.3° | 173.2° |
| O34 | C35 | C37 | H373 | 39.6° | 66.8° |
| O34 | C35 | C38 | O39 | 58.1° | 0.0° |
| O34 | C35 | C38 | O40 | 116.7° | 180.0° |
| C36 | C35 | C37 | C38 | 117.7° | 120.0° |
| C35 | C36 | H361 | H362 | 120.0° | 120.1° |
| C35 | C36 | H361 | H363 | 120.0° | 119.9° |
| C35 | C36 | H362 | H363 | 120.0° | 120.1° |
| C36 | C35 | C37 | H371 | 76.2° | 173.2° |
| C36 | C35 | C37 | H372 | 43.8° | 66.8° |
| C36 | C35 | C37 | H373 | 163.8° | 53.2° |
| C36 | C35 | C38 | O39 | 174.9° | 120.1° |
| C36 | C35 | C38 | O40 | 10.3° | 59.9° |
| C37 | C35 | C36 | H361 | 136.7° | 174.1° |
| C37 | C35 | C36 | H362 | 103.3° | 54.0° |
| C37 | C35 | C36 | H363 | 16.7° | 66.0° |
| C35 | C37 | H371 | H372 | 120.0° | 120.0° |
| C35 | C37 | H371 | H373 | 120.0° | 119.9° |
| C35 | C37 | H372 | H373 | 120.0° | 120.0° |
| C37 | C35 | C38 | O39 | 58.7° | 120.0° |
| C37 | C35 | C38 | O40 | 126.4° | 60.0° |
| C38 | C35 | C36 | H361 | 19.5° | 66.0° |
| C38 | C35 | C36 | H362 | 139.5° | 174.0° |
| C38 | C35 | C36 | H363 | 100.4° | 53.9° |
| C38 | C35 | C37 | H371 | 41.5° | 66.8° |
| C38 | C35 | C37 | H372 | 161.4° | 53.2° |
| C38 | C35 | C37 | H373 | 78.6° | 173.2° |
| C35 | C38 | O39 | O40 | 174.8° | 180.0° |
| C35 | C38 | O40 | H40O | 174.8° | 180.0° |
| H361 | C36 | H362 | H363 | 120.0° | 119.9° |
| H371 | C37 | H372 | H373 | 120.0° | 120.1° |
| O39 | C38 | O40 | H40O | 0.0° | 0.1° |
