O5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C13 | sing | 1.47Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C16 | sing | 1.51Å | 1.48Å | |
| C9 | C18 | sing | 1.51Å | 1.50Å | |
| C10 | C21 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O37 | sing | 1.36Å | 1.35Å | |
| C12 | O36 | sing | 1.36Å | 1.40Å | |
| C13 | O31 | sing | 1.35Å | 1.27Å | |
| C13 | O33 | doub | 1.21Å | 1.26Å | |
| C14 | C22 | sing | 1.51Å | 1.52Å | |
| C14 | N29 | sing | 1.35Å | 1.38Å | |
| C14 | O34 | doub | 1.21Å | 1.23Å | |
| C15 | C23 | sing | 1.51Å | 1.53Å | |
| C15 | O32 | sing | 1.34Å | 1.28Å | |
| C15 | O35 | doub | 1.21Å | 1.26Å | |
| C16 | C19 | sing | 1.54Å | 1.52Å | |
| C17 | C20 | sing | 1.53Å | 1.51Å | |
| C17 | O36 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.54Å | 1.55Å | |
| C18 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | N29 | sing | 1.47Å | 1.43Å | |
| C20 | C24 | sing | 1.53Å | 1.52Å | |
| C20 | O37 | sing | 1.43Å | 1.41Å | |
| C22 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | N30 | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| N29 | H29 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N30 | H301 | sing | 1.01Å | 1.00Å | |
| N30 | H302 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.7° | 119.9° |
| C1 | C2 | C4 | 120.5° | 119.9° |
| C2 | C1 | H1 | 119.7° | 120.1° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C1 | C3 | C8 | 118.5° | 120.2° |
| C3 | C1 | H1 | 119.7° | 120.0° |
| C1 | C3 | H3 | 120.8° | 119.9° |
| C2 | C4 | C9 | 118.7° | 120.3° |
| C4 | C2 | H2 | 119.8° | 120.1° |
| C2 | C4 | H4 | 120.6° | 119.9° |
| C3 | C8 | C9 | 121.3° | 119.9° |
| C3 | C8 | C16 | 126.6° | 130.4° |
| C8 | C3 | H3 | 120.7° | 120.0° |
| C4 | C9 | C8 | 120.4° | 119.8° |
| C4 | C9 | C18 | 127.5° | 130.4° |
| C9 | C4 | H4 | 120.6° | 119.8° |
| C6 | C5 | C10 | 120.8° | 120.3° |
| C5 | C6 | C11 | 118.4° | 120.4° |
| C6 | C5 | H5 | 119.6° | 119.9° |
| C5 | C6 | H6 | 120.8° | 119.8° |
| C5 | C10 | C7 | 119.9° | 120.0° |
| C5 | C10 | C21 | 123.4° | 120.0° |
| C10 | C5 | H5 | 119.6° | 119.9° |
| C6 | C11 | C12 | 121.3° | 120.0° |
| C6 | C11 | O37 | 118.3° | 119.3° |
| C11 | C6 | H6 | 120.8° | 119.8° |
| C10 | C7 | C12 | 119.0° | 119.7° |
| C10 | C7 | C13 | 120.9° | 120.2° |
| C7 | C10 | C21 | 116.6° | 120.0° |
| C12 | C7 | C13 | 120.1° | 120.1° |
| C7 | C12 | C11 | 120.5° | 119.6° |
| C7 | C12 | O36 | 117.0° | 119.4° |
| C7 | C13 | O31 | 117.4° | 120.0° |
| C7 | C13 | O33 | 120.1° | 120.0° |
| C9 | C8 | C16 | 112.2° | 109.7° |
| C8 | C9 | C18 | 112.0° | 109.8° |
| C8 | C16 | C19 | 100.9° | 105.2° |
| C8 | C16 | H161 | 111.6° | 110.3° |
| C8 | C16 | H162 | 111.6° | 110.3° |
| C9 | C18 | C19 | 100.0° | 105.2° |
| C9 | C18 | C21 | 118.6° | 110.3° |
| C9 | C18 | H18 | 107.3° | 110.2° |
| C10 | C21 | C18 | 114.7° | 109.5° |
| C10 | C21 | H211 | 108.1° | 109.5° |
| C10 | C21 | H212 | 108.1° | 109.4° |
| C12 | C11 | O37 | 120.3° | 120.7° |
| C11 | C12 | O36 | 122.5° | 120.9° |
| C11 | O37 | C20 | 114.0° | 116.7° |
| C12 | O36 | C17 | 116.5° | 116.7° |
| O31 | C13 | O33 | 122.5° | 120.0° |
| C13 | O31 | H31 | 109.5° | 117.0° |
| C22 | C14 | N29 | 112.5° | 120.0° |
| C22 | C14 | O34 | 122.8° | 120.0° |
| C14 | C22 | C25 | 112.8° | 109.5° |
| C14 | C22 | H221 | 108.6° | 109.6° |
| C14 | C22 | H222 | 108.6° | 109.4° |
| N29 | C14 | O34 | 124.7° | 120.0° |
| C14 | N29 | C19 | 118.1° | 120.0° |
| C14 | N29 | H29 | 121.0° | 120.0° |
| C23 | C15 | O32 | 117.7° | 120.0° |
| C23 | C15 | O35 | 114.2° | 119.9° |
| C15 | C23 | C24 | 102.1° | 109.5° |
| C15 | C23 | H231 | 111.3° | 109.4° |
| C15 | C23 | H232 | 111.3° | 109.5° |
| O32 | C15 | O35 | 128.1° | 120.0° |
| C15 | O32 | H32 | 109.5° | 117.0° |
| C16 | C19 | C18 | 108.9° | 102.4° |
| C16 | C19 | N29 | 111.8° | 110.8° |
| C19 | C16 | H161 | 111.6° | 110.3° |
| C19 | C16 | H162 | 111.6° | 110.3° |
| C16 | C19 | H19 | 106.1° | 110.8° |
| C20 | C17 | O36 | 115.6° | 108.2° |
| C17 | C20 | C24 | 108.1° | 109.7° |
| C17 | C20 | O37 | 118.3° | 108.3° |
| C20 | C17 | H171 | 107.9° | 109.7° |
| C20 | C17 | H172 | 107.9° | 109.7° |
| C17 | C20 | H20 | 105.6° | 109.7° |
| O36 | C17 | H171 | 107.9° | 109.7° |
| O36 | C17 | H172 | 107.9° | 109.8° |
| C19 | C18 | C21 | 116.2° | 110.3° |
| C18 | C19 | N29 | 116.5° | 110.8° |
| C19 | C18 | H18 | 106.8° | 110.3° |
| C18 | C19 | H19 | 105.8° | 110.8° |
| C21 | C18 | H18 | 107.1° | 110.4° |
| C18 | C21 | H211 | 108.2° | 109.5° |
| C18 | C21 | H212 | 108.1° | 109.5° |
| C19 | N29 | H29 | 120.9° | 120.0° |
| N29 | C19 | H19 | 107.1° | 110.9° |
| C24 | C20 | O37 | 111.9° | 109.7° |
| C20 | C24 | C23 | 113.2° | 109.5° |
| C24 | C20 | H20 | 105.4° | 109.7° |
| C20 | C24 | H241 | 108.6° | 109.5° |
| C20 | C24 | H242 | 108.5° | 109.4° |
| O37 | C20 | H20 | 106.7° | 109.7° |
| C22 | C25 | C26 | 110.2° | 109.5° |
| C25 | C22 | H221 | 108.6° | 109.4° |
| C25 | C22 | H222 | 108.6° | 109.4° |
| C22 | C25 | H251 | 109.3° | 109.5° |
| C22 | C25 | H252 | 109.3° | 109.5° |
| C24 | C23 | H231 | 111.3° | 109.4° |
| C24 | C23 | H232 | 111.3° | 109.5° |
| C23 | C24 | H241 | 108.5° | 109.5° |
| C23 | C24 | H242 | 108.5° | 109.4° |
| C25 | C26 | C27 | 111.9° | 109.5° |
| C26 | C25 | H251 | 109.3° | 109.4° |
| C26 | C25 | H252 | 109.3° | 109.5° |
| C25 | C26 | H261 | 108.9° | 109.4° |
| C25 | C26 | H262 | 108.9° | 109.5° |
| C26 | C27 | C28 | 108.7° | 109.5° |
| C27 | C26 | H261 | 108.9° | 109.4° |
| C27 | C26 | H262 | 108.9° | 109.5° |
| C26 | C27 | H271 | 109.7° | 109.5° |
| C26 | C27 | H272 | 109.7° | 109.5° |
| C27 | C28 | N30 | 108.6° | 109.4° |
| C28 | C27 | H271 | 109.7° | 109.4° |
| C28 | C27 | H272 | 109.7° | 109.5° |
| C27 | C28 | H281 | 109.7° | 109.4° |
| C27 | C28 | H282 | 109.7° | 109.5° |
| N30 | C28 | H281 | 109.7° | 109.5° |
| N30 | C28 | H282 | 109.7° | 109.5° |
| C28 | N30 | H301 | 109.5° | 111.0° |
| C28 | N30 | H302 | 109.5° | 111.0° |
| H161 | C16 | H162 | 109.4° | 110.3° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.7° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H301 | N30 | H302 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C8 | 0.2° | 0.0° |
| C1 | C2 | C4 | C9 | 0.2° | 0.0° |
| C2 | C1 | C3 | H3 | 179.8° | 180.0° |
| C1 | C2 | C4 | H4 | 179.8° | 180.0° |
| C3 | C1 | C2 | C4 | 0.1° | 0.1° |
| C1 | C3 | C8 | H3 | 180.0° | 180.0° |
| C1 | C3 | C8 | C9 | 0.8° | 0.0° |
| C1 | C3 | C8 | C16 | 179.4° | 179.9° |
| C3 | C1 | C2 | H2 | 179.9° | 179.9° |
| C2 | C4 | C9 | H4 | 180.0° | 180.0° |
| C2 | C4 | C9 | C8 | 0.8° | 0.0° |
| C2 | C4 | C9 | C18 | 176.7° | 180.0° |
| C4 | C2 | C1 | H1 | 179.9° | 179.7° |
| C3 | C8 | C9 | C4 | 1.1° | 0.0° |
| C3 | C8 | C9 | C16 | 179.8° | 179.9° |
| C3 | C8 | C9 | C18 | 177.6° | 180.0° |
| C3 | C8 | C16 | C19 | 163.5° | 162.8° |
| C8 | C3 | C1 | H1 | 179.8° | 179.7° |
| C3 | C8 | C16 | H161 | 77.9° | 78.3° |
| C3 | C8 | C16 | H162 | 44.8° | 43.8° |
| C4 | C9 | C8 | C18 | 176.5° | 180.0° |
| C4 | C9 | C8 | C16 | 179.1° | 180.0° |
| C4 | C9 | C18 | C19 | 163.6° | 162.8° |
| C4 | C9 | C18 | C21 | 69.0° | 78.2° |
| C9 | C4 | C2 | H2 | 179.8° | 179.9° |
| C4 | C9 | C18 | H18 | 52.4° | 43.9° |
| C6 | C5 | C10 | H5 | 180.0° | 179.7° |
| C5 | C6 | C11 | H6 | 180.0° | 180.0° |
| C6 | C5 | C10 | C7 | 0.6° | 0.0° |
| C6 | C5 | C10 | C21 | 179.4° | 179.9° |
| C5 | C6 | C11 | C12 | 0.5° | 0.1° |
| C5 | C6 | C11 | O37 | 179.2° | 179.6° |
| C10 | C5 | C6 | C11 | 0.8° | 0.1° |
| C5 | C10 | C7 | C21 | 180.0° | 179.9° |
| C5 | C10 | C7 | C12 | 0.1° | 0.1° |
| C5 | C10 | C7 | C13 | 179.1° | 180.0° |
| C5 | C10 | C21 | C18 | 21.6° | 98.1° |
| C10 | C5 | C6 | H6 | 179.2° | 180.0° |
| C5 | C10 | C21 | H211 | 99.2° | 141.8° |
| C5 | C10 | C21 | H212 | 142.4° | 21.9° |
| C6 | C11 | C12 | C7 | 0.0° | 0.2° |
| C6 | C11 | C12 | O37 | 178.6° | 179.8° |
| C6 | C11 | C12 | O36 | 179.7° | 179.7° |
| C6 | C11 | O37 | C20 | 150.1° | 163.0° |
| C11 | C6 | C5 | H5 | 179.2° | 179.7° |
| C10 | C7 | C12 | C13 | 179.1° | 179.9° |
| C10 | C7 | C12 | C11 | 0.2° | 0.2° |
| C10 | C7 | C12 | O36 | 179.9° | 179.7° |
| C10 | C7 | C13 | O31 | 55.7° | 84.5° |
| C10 | C7 | C13 | O33 | 127.2° | 95.5° |
| C7 | C10 | C21 | C18 | 158.4° | 81.8° |
| C7 | C10 | C5 | H5 | 179.4° | 179.7° |
| C7 | C10 | C21 | H211 | 80.8° | 38.3° |
| C7 | C10 | C21 | H212 | 37.6° | 158.2° |
| C12 | C7 | C10 | C21 | 180.0° | 180.0° |
| C7 | C12 | C11 | O36 | 179.7° | 179.9° |
| C7 | C12 | C11 | O37 | 178.6° | 179.6° |
| C12 | C7 | C13 | O31 | 123.4° | 95.4° |
| C12 | C7 | C13 | O33 | 53.7° | 84.6° |
| C7 | C12 | O36 | C17 | 158.4° | 162.7° |
| C13 | C7 | C10 | C21 | 0.9° | 0.1° |
| C13 | C7 | C12 | C11 | 178.9° | 179.9° |
| C13 | C7 | C12 | O36 | 0.9° | 0.2° |
| C7 | C13 | O31 | O33 | 177.0° | 180.0° |
| C7 | C13 | O31 | H31 | 177.1° | 174.9° |
| C9 | C8 | C16 | C19 | 16.7° | 17.1° |
| C8 | C9 | C18 | C19 | 12.6° | 17.2° |
| C8 | C9 | C18 | C21 | 114.8° | 101.7° |
| C9 | C8 | C3 | H3 | 179.2° | 180.0° |
| C8 | C9 | C4 | H4 | 179.2° | 180.0° |
| C9 | C8 | C16 | H161 | 101.9° | 101.8° |
| C9 | C8 | C16 | H162 | 135.3° | 136.1° |
| C8 | C9 | C18 | H18 | 123.8° | 136.1° |
| C16 | C8 | C9 | C18 | 2.5° | 0.1° |
| C8 | C16 | C19 | H161 | 118.6° | 118.9° |
| C8 | C16 | C19 | H162 | 118.6° | 119.0° |
| C8 | C16 | C19 | C18 | 24.5° | 26.3° |
| C8 | C16 | C19 | N29 | 154.7° | 144.5° |
| C16 | C8 | C3 | H3 | 0.6° | 0.0° |
| C8 | C16 | H161 | H162 | 124.0° | 122.2° |
| C8 | C16 | C19 | H19 | 88.9° | 91.9° |
| C9 | C18 | C21 | C10 | 69.5° | 64.5° |
| C9 | C18 | C19 | C16 | 23.0° | 26.4° |
| C9 | C18 | C19 | C21 | 129.0° | 119.0° |
| C9 | C18 | C19 | H18 | 111.7° | 118.9° |
| C9 | C18 | C21 | H18 | 121.5° | 122.1° |
| C9 | C18 | C19 | N29 | 150.6° | 144.6° |
| C18 | C9 | C4 | H4 | 3.2° | 0.0° |
| C9 | C18 | C21 | H211 | 169.7° | 175.4° |
| C9 | C18 | C21 | H212 | 51.3° | 55.5° |
| C9 | C18 | C19 | H19 | 90.6° | 91.8° |
| C10 | C21 | C18 | C19 | 171.2° | 179.7° |
| C10 | C21 | C18 | H211 | 120.8° | 120.0° |
| C10 | C21 | C18 | H212 | 120.8° | 120.0° |
| C21 | C10 | C5 | H5 | 0.6° | 0.4° |
| C10 | C21 | C18 | H18 | 52.0° | 57.5° |
| C10 | C21 | H211 | H212 | 117.6° | 119.9° |
| C11 | C12 | O36 | C17 | 21.9° | 17.4° |
| C12 | C11 | O37 | C20 | 31.2° | 17.3° |
| C12 | C11 | C6 | H6 | 179.5° | 179.9° |
| O37 | C11 | C12 | O36 | 1.1° | 0.6° |
| C11 | O37 | C20 | C17 | 38.7° | 46.1° |
| C11 | O37 | C20 | C24 | 165.3° | 165.9° |
| O37 | C11 | C6 | H6 | 0.8° | 0.4° |
| C11 | O37 | C20 | H20 | 79.9° | 73.6° |
| C12 | O36 | C17 | C20 | 12.9° | 46.2° |
| C12 | O36 | C17 | H171 | 133.8° | 73.4° |
| C12 | O36 | C17 | H172 | 108.0° | 166.0° |
| O33 | C13 | O31 | H31 | 0.0° | 5.2° |
| C22 | C14 | N29 | O34 | 179.8° | 179.9° |
| C22 | C14 | N29 | C19 | 171.7° | 180.0° |
| C14 | C22 | C25 | H221 | 120.5° | 120.1° |
| C14 | C22 | C25 | H222 | 120.5° | 119.9° |
| C14 | C22 | C25 | C26 | 123.6° | 179.9° |
| C14 | C22 | H221 | H222 | 118.5° | 120.0° |
| C22 | C14 | N29 | H29 | 8.3° | 0.1° |
| C14 | C22 | C25 | H251 | 116.3° | 60.0° |
| C14 | C22 | C25 | H252 | 3.5° | 60.0° |
| C14 | N29 | C19 | C16 | 137.2° | 90.0° |
| C14 | N29 | C19 | C18 | 96.7° | 157.1° |
| C14 | N29 | C19 | H29 | 180.0° | 180.0° |
| N29 | C14 | C22 | C25 | 23.8° | 180.0° |
| N29 | C14 | C22 | H221 | 96.7° | 59.9° |
| N29 | C14 | C22 | H222 | 144.3° | 60.1° |
| C14 | N29 | C19 | H19 | 21.5° | 33.6° |
| O34 | C14 | N29 | C19 | 8.6° | 0.1° |
| O34 | C14 | C22 | C25 | 156.4° | 0.1° |
| O34 | C14 | C22 | H221 | 83.1° | 119.9° |
| O34 | C14 | C22 | H222 | 35.9° | 120.0° |
| O34 | C14 | N29 | H29 | 171.4° | 180.0° |
| C23 | C15 | O32 | O35 | 178.7° | 180.0° |
| C15 | C23 | C24 | C20 | 112.7° | 180.0° |
| C15 | C23 | C24 | H231 | 118.8° | 120.0° |
| C15 | C23 | C24 | H232 | 118.8° | 120.1° |
| C15 | C23 | H231 | H232 | 123.4° | 120.0° |
| C23 | C15 | O32 | H32 | 178.6° | 180.0° |
| C15 | C23 | C24 | H241 | 126.7° | 60.0° |
| C15 | C23 | C24 | H242 | 7.8° | 60.0° |
| O32 | C15 | C23 | C24 | 136.9° | 180.0° |
| O32 | C15 | C23 | H231 | 104.3° | 60.0° |
| O32 | C15 | C23 | H232 | 18.0° | 60.0° |
| O35 | C15 | C23 | C24 | 44.3° | 0.0° |
| O35 | C15 | C23 | H231 | 74.5° | 120.0° |
| O35 | C15 | C23 | H232 | 163.1° | 120.0° |
| O35 | C15 | O32 | H32 | 0.0° | 0.1° |
| C16 | C19 | C18 | N29 | 127.6° | 118.2° |
| C16 | C19 | C18 | H19 | 113.6° | 118.2° |
| C16 | C19 | C18 | C21 | 105.9° | 92.6° |
| C16 | C19 | N29 | H19 | 115.8° | 123.5° |
| C19 | C16 | H161 | H162 | 124.0° | 122.1° |
| C16 | C19 | C18 | H18 | 134.7° | 145.2° |
| C16 | C19 | N29 | H29 | 42.7° | 90.0° |
| C20 | C17 | O36 | H171 | 120.9° | 119.6° |
| C20 | C17 | O36 | H172 | 120.9° | 119.8° |
| C17 | C20 | C24 | O37 | 131.9° | 118.9° |
| C17 | C20 | C24 | H20 | 112.5° | 120.6° |
| C17 | C20 | O37 | H20 | 118.6° | 119.7° |
| C17 | C20 | C24 | C23 | 161.5° | 175.0° |
| C20 | C17 | H171 | H172 | 117.2° | 120.6° |
| C17 | C20 | C24 | H241 | 78.0° | 54.9° |
| C17 | C20 | C24 | H242 | 40.9° | 65.1° |
| O36 | C17 | C20 | C24 | 145.1° | 179.3° |
| O36 | C17 | C20 | O37 | 16.7° | 59.6° |
| O36 | C17 | H171 | H172 | 117.2° | 120.6° |
| O36 | C17 | C20 | H20 | 102.5° | 60.1° |
| C19 | C18 | C21 | H18 | 119.2° | 122.1° |
| C18 | C19 | N29 | H19 | 118.1° | 123.5° |
| C18 | C19 | C16 | H161 | 94.1° | 92.6° |
| C18 | C19 | C16 | H162 | 143.1° | 145.3° |
| C19 | C18 | C21 | H211 | 50.4° | 59.7° |
| C19 | C18 | C21 | H212 | 68.0° | 60.3° |
| C18 | C19 | N29 | H29 | 83.4° | 23.0° |
| C21 | C18 | C19 | N29 | 21.6° | 25.6° |
| C18 | C21 | H211 | H212 | 117.6° | 120.0° |
| C21 | C18 | C19 | H19 | 140.4° | 149.2° |
| N29 | C19 | C16 | H161 | 36.1° | 25.6° |
| N29 | C19 | C16 | H162 | 86.7° | 96.5° |
| N29 | C19 | C18 | H18 | 97.7° | 96.5° |
| C24 | C20 | O37 | H20 | 114.8° | 120.5° |
| C20 | C24 | C23 | H241 | 120.6° | 120.0° |
| C20 | C24 | C23 | H242 | 120.5° | 120.0° |
| C20 | C24 | C23 | H231 | 128.5° | 60.0° |
| C20 | C24 | C23 | H232 | 6.1° | 59.9° |
| C24 | C20 | C17 | H171 | 24.2° | 59.7° |
| C24 | C20 | C17 | H172 | 94.0° | 60.9° |
| C20 | C24 | H241 | H242 | 118.3° | 120.0° |
| O37 | C20 | C24 | C23 | 29.5° | 66.1° |
| O37 | C20 | C17 | H171 | 104.2° | 60.0° |
| O37 | C20 | C17 | H172 | 137.6° | 179.4° |
| O37 | C20 | C24 | H241 | 150.1° | 173.8° |
| O37 | C20 | C24 | H242 | 91.0° | 53.8° |
| C22 | C25 | C26 | H251 | 120.1° | 120.0° |
| C22 | C25 | C26 | H252 | 120.1° | 120.1° |
| C22 | C25 | C26 | C27 | 164.1° | 180.0° |
| C25 | C22 | H221 | H222 | 118.5° | 119.9° |
| C22 | C25 | H251 | H252 | 119.7° | 120.0° |
| C22 | C25 | C26 | H261 | 43.8° | 60.1° |
| C22 | C25 | C26 | H262 | 75.5° | 59.9° |
| C24 | C23 | H231 | H232 | 123.4° | 120.0° |
| C23 | C24 | C20 | H20 | 86.1° | 54.4° |
| C23 | C24 | H241 | H242 | 118.3° | 120.0° |
| C25 | C26 | C27 | H261 | 120.4° | 119.9° |
| C25 | C26 | C27 | H262 | 120.4° | 120.1° |
| C25 | C26 | C27 | C28 | 173.2° | 180.0° |
| C26 | C25 | C22 | H221 | 3.1° | 60.0° |
| C26 | C25 | C22 | H222 | 115.9° | 60.0° |
| C26 | C25 | H251 | H252 | 119.7° | 120.0° |
| C25 | C26 | H261 | H262 | 118.9° | 120.0° |
| C25 | C26 | C27 | H271 | 53.3° | 60.1° |
| C25 | C26 | C27 | H272 | 66.9° | 59.9° |
| C26 | C27 | C28 | H271 | 119.9° | 120.0° |
| C26 | C27 | C28 | H272 | 119.9° | 120.1° |
| C26 | C27 | C28 | N30 | 173.8° | 180.0° |
| C27 | C26 | C25 | H251 | 75.8° | 60.1° |
| C27 | C26 | C25 | H252 | 44.0° | 59.9° |
| C27 | C26 | H261 | H262 | 118.9° | 120.0° |
| C26 | C27 | H271 | H272 | 120.4° | 120.0° |
| C26 | C27 | C28 | H281 | 66.3° | 60.0° |
| C26 | C27 | C28 | H282 | 54.0° | 60.0° |
| C27 | C28 | N30 | H281 | 119.9° | 119.9° |
| C27 | C28 | N30 | H282 | 119.9° | 120.0° |
| C28 | C27 | C26 | H261 | 66.4° | 60.0° |
| C28 | C27 | C26 | H262 | 52.8° | 59.9° |
| C28 | C27 | H271 | H272 | 120.4° | 120.0° |
| C27 | C28 | H281 | H282 | 120.4° | 120.0° |
| C27 | C28 | N30 | H301 | 180.0° | 180.0° |
| C27 | C28 | N30 | H302 | 60.0° | 56.2° |
| N30 | C28 | C27 | H271 | 53.9° | 60.0° |
| N30 | C28 | C27 | H272 | 66.3° | 60.0° |
| N30 | C28 | H281 | H282 | 120.4° | 120.1° |
| C28 | N30 | H301 | H302 | 120.0° | 123.9° |
| H1 | C1 | C2 | H2 | 0.1° | 0.4° |
| H1 | C1 | C3 | H3 | 0.2° | 0.3° |
| H2 | C2 | C4 | H4 | 0.3° | 0.1° |
| H5 | C5 | C6 | H6 | 0.8° | 0.3° |
| H161 | C16 | C19 | H19 | 152.5° | 149.2° |
| H162 | C16 | C19 | H19 | 29.7° | 27.1° |
| H18 | C18 | C21 | H211 | 68.8° | 62.5° |
| H18 | C18 | C21 | H212 | 172.8° | 177.5° |
| H18 | C18 | C19 | H19 | 21.1° | 27.0° |
| H221 | C22 | C25 | H251 | 123.2° | 179.9° |
| H221 | C22 | C25 | H252 | 117.0° | 60.1° |
| H222 | C22 | C25 | H251 | 4.2° | 60.0° |
| H222 | C22 | C25 | H252 | 124.0° | 180.0° |
| H29 | N29 | C19 | H19 | 158.5° | 146.5° |
| H231 | C23 | C24 | H241 | 7.9° | 60.0° |
| H231 | C23 | C24 | H242 | 111.0° | 180.0° |
| H232 | C23 | C24 | H241 | 114.4° | 180.0° |
| H232 | C23 | C24 | H242 | 126.7° | 60.0° |
| H171 | C17 | C20 | H20 | 136.6° | 179.7° |
| H172 | C17 | C20 | H20 | 18.4° | 59.7° |
| H20 | C20 | C24 | H241 | 34.5° | 65.6° |
| H20 | C20 | C24 | H242 | 153.4° | 174.4° |
| H251 | C25 | C26 | H261 | 163.9° | 180.0° |
| H251 | C25 | C26 | H262 | 44.6° | 60.0° |
| H252 | C25 | C26 | H261 | 76.3° | 60.0° |
| H252 | C25 | C26 | H262 | 164.4° | 180.0° |
| H261 | C26 | C27 | H271 | 173.7° | 180.0° |
| H261 | C26 | C27 | H272 | 53.4° | 60.0° |
| H262 | C26 | C27 | H271 | 67.1° | 60.0° |
| H262 | C26 | C27 | H272 | 172.7° | 180.0° |
| H271 | C27 | C28 | H281 | 173.8° | 180.0° |
| H271 | C27 | C28 | H282 | 65.9° | 60.0° |
| H272 | C27 | C28 | H281 | 53.5° | 60.0° |
| H272 | C27 | C28 | H282 | 173.8° | 180.0° |
| H281 | C28 | N30 | H301 | 60.1° | 60.1° |
| H281 | C28 | N30 | H302 | 179.8° | 176.1° |
| H282 | C28 | N30 | H301 | 60.1° | 60.0° |
| H282 | C28 | N30 | H302 | 59.9° | 63.8° |
