O4N
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 | 1.40Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C18 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C21 | sing | 1.48Å | 1.47Å | |
| C12 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C22 | sing | 1.47Å | 1.52Å | |
| C13 | C31 | sing | 1.51Å | 1.53Å | |
| C14 | C26 | sing | 1.51Å | 1.53Å | |
| C15 | C27 | sing | 1.51Å | 1.54Å | |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | O37 | sing | 1.36Å | 1.34Å | |
| C17 | O38 | sing | 1.36Å | 1.42Å | |
| C18 | O39 | sing | 1.36Å | 1.38Å | |
| C19 | C20 | doub | 1.31Å | 1.34Å | |
| C20 | C28 | sing | 1.51Å | 1.49Å | |
| C21 | N32 | sing | 1.35Å | 1.33Å | |
| C21 | O35 | doub | 1.22Å | 1.22Å | |
| C22 | O34 | sing | 1.35Å | 1.30Å | |
| C22 | O36 | doub | 1.22Å | 1.26Å | |
| C23 | O37 | sing | 1.44Å | 1.42Å | |
| C23 | O38 | sing | 1.44Å | 1.47Å | |
| C24 | C29 | sing | 1.53Å | 1.56Å | |
| C25 | O39 | sing | 1.43Å | 1.44Å | |
| C26 | N33 | sing | 1.47Å | 1.54Å | |
| C27 | N33 | sing | 1.47Å | 1.58Å | |
| C28 | N33 | sing | 1.47Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | N32 | sing | 1.46Å | 1.44Å | |
| 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 | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | 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 | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.8° | 120.2° |
| C1 | C2 | C4 | 119.1° | 120.3° |
| C2 | C1 | H1 | 120.1° | 119.9° |
| C1 | C2 | H2 | 120.4° | 119.9° |
| C1 | C3 | C11 | 119.6° | 119.8° |
| C3 | C1 | H1 | 120.1° | 119.9° |
| C1 | C3 | H3 | 120.2° | 120.1° |
| C2 | C4 | C14 | 122.4° | 120.2° |
| C4 | C2 | H2 | 120.5° | 119.8° |
| C2 | C4 | H4 | 118.8° | 120.0° |
| C3 | C11 | C14 | 121.1° | 119.8° |
| C3 | C11 | C21 | 118.2° | 120.1° |
| C11 | C3 | H3 | 120.2° | 120.1° |
| C4 | C14 | C11 | 118.1° | 119.8° |
| C4 | C14 | C26 | 117.2° | 120.1° |
| C14 | C4 | H4 | 118.8° | 119.9° |
| C8 | C5 | C15 | 121.7° | 120.4° |
| C5 | C8 | C16 | 118.0° | 120.4° |
| C8 | C5 | H5 | 119.1° | 119.8° |
| C5 | C8 | H8 | 121.0° | 119.8° |
| C5 | C15 | C12 | 118.6° | 120.0° |
| C5 | C15 | C27 | 118.1° | 120.0° |
| C15 | C5 | H5 | 119.1° | 119.8° |
| C9 | C6 | C13 | 120.7° | 120.1° |
| C6 | C9 | C18 | 119.6° | 119.9° |
| C9 | C6 | H6 | 119.6° | 119.9° |
| C6 | C9 | H9 | 120.2° | 120.0° |
| C6 | C13 | C7 | 119.4° | 120.1° |
| C6 | C13 | C31 | 117.0° | 119.9° |
| C13 | C6 | H6 | 119.7° | 120.0° |
| C10 | C7 | C13 | 119.9° | 120.1° |
| C7 | C10 | C18 | 120.5° | 120.0° |
| C10 | C7 | H7 | 120.1° | 120.0° |
| C7 | C10 | H10 | 119.8° | 120.0° |
| C7 | C13 | C31 | 123.6° | 120.0° |
| C13 | C7 | H7 | 120.1° | 120.0° |
| C8 | C16 | C17 | 122.2° | 119.9° |
| C8 | C16 | O37 | 128.0° | 131.5° |
| C16 | C8 | H8 | 121.0° | 119.8° |
| C9 | C18 | C10 | 120.0° | 119.9° |
| C9 | C18 | O39 | 116.7° | 120.0° |
| C18 | C9 | H9 | 120.2° | 120.0° |
| C10 | C18 | O39 | 123.2° | 120.1° |
| C18 | C10 | H10 | 119.7° | 120.0° |
| C14 | C11 | C21 | 120.7° | 120.1° |
| C11 | C14 | C26 | 124.7° | 120.1° |
| C11 | C21 | N32 | 116.6° | 120.0° |
| C11 | C21 | O35 | 120.8° | 120.0° |
| C15 | C12 | C17 | 119.4° | 119.7° |
| C15 | C12 | C22 | 121.1° | 120.1° |
| C12 | C15 | C27 | 123.4° | 120.1° |
| C17 | C12 | C22 | 119.6° | 120.2° |
| C12 | C17 | C16 | 120.2° | 119.7° |
| C12 | C17 | O38 | 126.3° | 131.6° |
| C12 | C22 | O34 | 115.2° | 120.0° |
| C12 | C22 | O36 | 119.1° | 120.0° |
| C13 | C31 | C30 | 109.2° | 109.5° |
| C13 | C31 | N32 | 114.4° | 109.5° |
| C13 | C31 | H31 | 108.5° | 109.4° |
| C14 | C26 | N33 | 116.2° | 109.5° |
| C14 | C26 | H261 | 107.7° | 109.5° |
| C14 | C26 | H262 | 107.8° | 109.5° |
| C15 | C27 | N33 | 108.5° | 109.5° |
| C15 | C27 | H271 | 109.7° | 109.5° |
| C15 | C27 | H272 | 109.7° | 109.5° |
| C17 | C16 | O37 | 109.7° | 108.6° |
| C16 | C17 | O38 | 113.5° | 108.8° |
| C16 | O37 | C23 | 104.9° | 105.5° |
| C17 | O38 | C23 | 97.9° | 105.5° |
| C18 | O39 | C25 | 116.4° | 117.0° |
| C19 | C20 | C28 | 127.4° | 120.0° |
| C20 | C19 | H191 | 120.0° | 120.0° |
| C20 | C19 | H192 | 120.0° | 120.0° |
| C19 | C20 | H20 | 116.3° | 120.0° |
| C20 | C28 | N33 | 114.8° | 109.4° |
| C28 | C20 | H20 | 116.3° | 120.0° |
| C20 | C28 | H281 | 108.1° | 109.5° |
| C20 | C28 | H282 | 108.1° | 109.5° |
| N32 | C21 | O35 | 122.5° | 120.0° |
| C21 | N32 | C31 | 122.6° | 120.0° |
| C21 | N32 | H32 | 118.7° | 120.0° |
| O34 | C22 | O36 | 125.5° | 120.0° |
| C22 | O34 | H34 | 109.5° | 116.9° |
| O37 | C23 | O38 | 112.7° | 103.7° |
| O37 | C23 | H231 | 108.6° | 110.6° |
| O37 | C23 | H232 | 108.6° | 110.6° |
| O38 | C23 | H231 | 108.6° | 110.5° |
| O38 | C23 | H232 | 108.6° | 110.6° |
| C24 | C29 | C30 | 105.4° | 109.4° |
| C29 | C24 | H241 | 109.5° | 109.4° |
| C29 | C24 | H242 | 109.5° | 109.5° |
| C29 | C24 | H243 | 109.5° | 109.5° |
| C24 | C29 | H291 | 110.5° | 109.5° |
| C24 | C29 | H292 | 110.5° | 109.5° |
| O39 | C25 | H251 | 109.5° | 109.4° |
| O39 | C25 | H252 | 109.5° | 109.5° |
| O39 | C25 | H253 | 109.5° | 109.5° |
| C26 | N33 | C27 | 118.8° | 111.0° |
| C26 | N33 | C28 | 108.2° | 110.9° |
| N33 | C26 | H261 | 107.8° | 109.4° |
| N33 | C26 | H262 | 107.8° | 109.4° |
| C27 | N33 | C28 | 115.5° | 111.0° |
| N33 | C27 | H271 | 109.7° | 109.5° |
| N33 | C27 | H272 | 109.7° | 109.4° |
| N33 | C28 | H281 | 108.1° | 109.4° |
| N33 | C28 | H282 | 108.1° | 109.5° |
| C29 | C30 | C31 | 110.7° | 109.4° |
| C30 | C29 | H291 | 110.5° | 109.5° |
| C30 | C29 | H292 | 110.5° | 109.4° |
| C29 | C30 | H301 | 109.2° | 109.5° |
| C29 | C30 | H302 | 109.2° | 109.4° |
| C30 | C31 | N32 | 106.2° | 109.5° |
| C30 | C31 | H31 | 108.9° | 109.5° |
| C31 | C30 | H301 | 109.2° | 109.5° |
| C31 | C30 | H302 | 109.1° | 109.5° |
| N32 | C31 | H31 | 109.5° | 109.5° |
| C31 | N32 | H32 | 118.7° | 120.0° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H191 | C19 | H192 | 120.0° | 120.0° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 110.6° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.4° |
| H242 | C24 | H243 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.4° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
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° | 180.0° |
| C2 | C1 | C3 | C11 | 0.1° | 0.0° |
| C1 | C2 | C4 | C14 | 1.3° | 0.0° |
| C2 | C1 | C3 | H3 | 179.9° | 179.9° |
| C1 | C2 | C4 | H4 | 178.6° | 179.9° |
| C3 | C1 | C2 | C4 | 1.0° | 0.1° |
| C1 | C3 | C11 | H3 | 180.0° | 180.0° |
| C1 | C3 | C11 | C14 | 0.5° | 0.0° |
| C1 | C3 | C11 | C21 | 179.4° | 180.0° |
| C3 | C1 | C2 | H2 | 179.0° | 180.0° |
| C2 | C4 | C14 | H4 | 180.0° | 179.9° |
| C2 | C4 | C14 | C11 | 0.7° | 0.1° |
| C2 | C4 | C14 | C26 | 179.3° | 180.0° |
| C4 | C2 | C1 | H1 | 179.0° | 179.7° |
| C3 | C11 | C14 | C4 | 0.2° | 0.1° |
| C3 | C11 | C14 | C21 | 178.8° | 180.0° |
| C3 | C11 | C14 | C26 | 178.2° | 180.0° |
| C3 | C11 | C21 | N32 | 42.6° | 0.0° |
| C3 | C11 | C21 | O35 | 136.4° | 180.0° |
| C11 | C3 | C1 | H1 | 179.9° | 179.7° |
| C4 | C14 | C11 | C26 | 178.4° | 179.9° |
| C4 | C14 | C11 | C21 | 179.1° | 180.0° |
| C4 | C14 | C26 | N33 | 82.2° | 100.1° |
| C14 | C4 | C2 | H2 | 178.6° | 180.0° |
| C4 | C14 | C26 | H261 | 38.7° | 19.9° |
| C4 | C14 | C26 | H262 | 156.8° | 140.0° |
| C8 | C5 | C15 | H5 | 180.0° | 179.8° |
| C5 | C8 | C16 | H8 | 180.0° | 180.0° |
| C8 | C5 | C15 | C12 | 0.9° | 0.0° |
| C8 | C5 | C15 | C27 | 178.9° | 180.0° |
| C5 | C8 | C16 | C17 | 0.3° | 0.1° |
| C5 | C8 | C16 | O37 | 176.4° | 180.0° |
| C15 | C5 | C8 | C16 | 0.2° | 0.1° |
| C5 | C15 | C12 | C27 | 179.8° | 179.9° |
| C5 | C15 | C12 | C17 | 1.9° | 0.0° |
| C5 | C15 | C12 | C22 | 176.5° | 179.9° |
| C5 | C15 | C27 | N33 | 109.4° | 105.3° |
| C15 | C5 | C8 | H8 | 179.8° | 180.0° |
| C5 | C15 | C27 | H271 | 130.7° | 14.7° |
| C5 | C15 | C27 | H272 | 10.5° | 134.7° |
| C9 | C6 | C13 | H6 | 180.0° | 179.7° |
| C9 | C6 | C13 | C7 | 2.2° | 0.0° |
| C6 | C9 | C18 | H9 | 180.0° | 179.9° |
| C6 | C9 | C18 | C10 | 0.3° | 0.0° |
| C9 | C6 | C13 | C31 | 178.4° | 180.0° |
| C6 | C9 | C18 | O39 | 176.4° | 179.9° |
| C6 | C13 | C7 | C10 | 1.4° | 0.1° |
| C6 | C13 | C7 | C31 | 179.4° | 180.0° |
| C13 | C6 | C9 | C18 | 1.3° | 0.0° |
| C6 | C13 | C31 | C30 | 116.7° | 100.0° |
| C6 | C13 | C31 | N32 | 124.5° | 140.0° |
| C13 | C6 | C9 | H9 | 178.7° | 180.0° |
| C6 | C13 | C7 | H7 | 178.6° | 180.0° |
| C6 | C13 | C31 | H31 | 1.9° | 20.0° |
| C10 | C7 | C13 | H7 | 180.0° | 179.9° |
| C7 | C10 | C18 | C9 | 1.1° | 0.0° |
| C7 | C10 | C18 | H10 | 180.0° | 179.9° |
| C10 | C7 | C13 | C31 | 179.3° | 180.0° |
| C7 | C10 | C18 | O39 | 176.9° | 180.0° |
| C13 | C7 | C10 | C18 | 0.3° | 0.1° |
| C7 | C13 | C31 | C30 | 64.0° | 80.0° |
| C7 | C13 | C31 | N32 | 54.9° | 40.1° |
| C7 | C13 | C6 | H6 | 177.8° | 179.7° |
| C13 | C7 | C10 | H10 | 179.7° | 180.0° |
| C7 | C13 | C31 | H31 | 177.5° | 160.0° |
| C8 | C16 | C17 | C12 | 0.7° | 0.0° |
| C8 | C16 | C17 | O37 | 177.3° | 179.9° |
| C8 | C16 | C17 | O38 | 178.4° | 179.9° |
| C8 | C16 | O37 | C23 | 175.5° | 162.8° |
| C16 | C8 | C5 | H5 | 179.8° | 179.7° |
| C9 | C18 | C10 | O39 | 175.8° | 180.0° |
| C9 | C18 | O39 | C25 | 174.7° | 180.0° |
| C18 | C9 | C6 | H6 | 178.7° | 179.7° |
| C9 | C18 | C10 | H10 | 178.9° | 179.9° |
| C10 | C18 | O39 | C25 | 9.4° | 0.0° |
| C10 | C18 | C9 | H9 | 179.6° | 180.0° |
| C18 | C10 | C7 | H7 | 179.7° | 180.0° |
| C14 | C11 | C21 | N32 | 136.3° | 180.0° |
| C14 | C11 | C21 | O35 | 44.8° | 0.0° |
| C11 | C14 | C26 | N33 | 96.2° | 80.0° |
| C14 | C11 | C3 | H3 | 179.4° | 180.0° |
| C11 | C14 | C4 | H4 | 179.3° | 180.0° |
| C11 | C14 | C26 | H261 | 142.8° | 160.0° |
| C11 | C14 | C26 | H262 | 24.8° | 39.9° |
| C21 | C11 | C14 | C26 | 0.6° | 0.0° |
| C11 | C21 | N32 | O35 | 178.9° | 180.0° |
| C11 | C21 | N32 | C31 | 168.5° | 180.0° |
| C21 | C11 | C3 | H3 | 0.6° | 0.0° |
| C11 | C21 | N32 | H32 | 11.5° | 0.0° |
| C15 | C12 | C17 | C22 | 178.4° | 180.0° |
| C15 | C12 | C17 | C16 | 1.8° | 0.0° |
| C15 | C12 | C17 | O38 | 177.1° | 180.0° |
| C15 | C12 | C22 | O34 | 145.8° | 95.0° |
| C15 | C12 | C22 | O36 | 29.1° | 85.0° |
| C12 | C15 | C27 | N33 | 70.4° | 74.6° |
| C12 | C15 | C5 | H5 | 179.1° | 179.8° |
| C12 | C15 | C27 | H271 | 49.5° | 165.3° |
| C12 | C15 | C27 | H272 | 169.7° | 45.3° |
| C17 | C12 | C15 | C27 | 177.9° | 179.9° |
| C12 | C17 | C16 | O38 | 179.1° | 180.0° |
| C12 | C17 | C16 | O37 | 178.0° | 180.0° |
| C17 | C12 | C22 | O34 | 32.5° | 85.0° |
| C17 | C12 | C22 | O36 | 152.6° | 95.1° |
| C12 | C17 | O38 | C23 | 175.5° | 162.8° |
| C22 | C12 | C15 | C27 | 3.7° | 0.0° |
| C22 | C12 | C17 | C16 | 176.5° | 180.0° |
| C22 | C12 | C17 | O38 | 4.5° | 0.1° |
| C12 | C22 | O34 | O36 | 174.5° | 180.0° |
| C12 | C22 | O34 | H34 | 174.5° | 180.0° |
| C13 | C31 | N32 | C21 | 87.6° | 155.0° |
| C13 | C31 | C30 | C29 | 173.9° | 175.0° |
| C13 | C31 | C30 | N32 | 123.9° | 120.0° |
| C13 | C31 | C30 | H31 | 118.3° | 120.0° |
| C13 | C31 | N32 | H31 | 122.0° | 119.9° |
| C31 | C13 | C6 | H6 | 1.6° | 0.3° |
| C31 | C13 | C7 | H7 | 0.7° | 0.1° |
| C13 | C31 | N32 | H32 | 92.4° | 25.0° |
| C13 | C31 | C30 | H301 | 53.7° | 55.0° |
| C13 | C31 | C30 | H302 | 65.9° | 65.1° |
| C14 | C26 | N33 | H261 | 121.0° | 120.0° |
| C14 | C26 | N33 | H262 | 121.0° | 120.0° |
| C14 | C26 | N33 | C27 | 65.6° | 170.0° |
| C14 | C26 | N33 | C28 | 160.1° | 66.0° |
| C26 | C14 | C4 | H4 | 0.7° | 0.1° |
| C14 | C26 | H261 | H262 | 116.9° | 120.1° |
| C15 | C27 | N33 | C26 | 177.5° | 76.9° |
| C15 | C27 | N33 | H271 | 119.9° | 120.0° |
| C15 | C27 | N33 | H272 | 119.9° | 120.0° |
| C15 | C27 | N33 | C28 | 46.4° | 159.2° |
| C27 | C15 | C5 | H5 | 1.1° | 0.2° |
| C15 | C27 | H271 | H272 | 120.4° | 120.0° |
| C17 | C16 | O37 | C23 | 7.5° | 17.3° |
| C16 | C17 | O38 | C23 | 5.5° | 17.3° |
| C17 | C16 | C8 | H8 | 179.7° | 180.0° |
| O37 | C16 | C17 | O38 | 1.1° | 0.0° |
| C16 | O37 | C23 | O38 | 11.5° | 27.1° |
| O37 | C16 | C8 | H8 | 3.6° | 0.1° |
| C16 | O37 | C23 | H231 | 132.0° | 145.6° |
| C16 | O37 | C23 | H232 | 108.9° | 91.4° |
| C17 | O38 | C23 | O37 | 10.2° | 27.1° |
| C17 | O38 | C23 | H231 | 130.7° | 145.7° |
| C17 | O38 | C23 | H232 | 110.3° | 91.5° |
| O39 | C18 | C9 | H9 | 3.5° | 0.0° |
| O39 | C18 | C10 | H10 | 3.1° | 0.1° |
| C18 | O39 | C25 | H251 | 180.0° | 60.0° |
| C18 | O39 | C25 | H252 | 60.0° | 60.0° |
| C18 | O39 | C25 | H253 | 60.0° | 179.9° |
| C19 | C20 | C28 | H20 | 180.0° | 180.0° |
| C19 | C20 | C28 | N33 | 95.3° | 123.3° |
| C20 | C19 | H191 | H192 | 180.0° | 180.0° |
| C19 | C20 | C28 | H281 | 25.5° | 116.8° |
| C19 | C20 | C28 | H282 | 143.9° | 3.3° |
| C20 | C28 | N33 | C26 | 70.0° | 164.3° |
| C20 | C28 | N33 | C27 | 66.0° | 71.8° |
| C20 | C28 | N33 | H281 | 120.8° | 120.0° |
| C20 | C28 | N33 | H282 | 120.8° | 120.0° |
| C28 | C20 | C19 | H191 | 0.0° | 180.0° |
| C28 | C20 | C19 | H192 | 180.0° | 0.0° |
| C20 | C28 | H281 | H282 | 117.5° | 120.0° |
| C21 | N32 | C31 | C30 | 151.8° | 85.0° |
| C21 | N32 | C31 | H32 | 180.0° | 180.0° |
| C21 | N32 | C31 | H31 | 34.4° | 35.1° |
| O35 | C21 | N32 | C31 | 12.6° | 0.0° |
| O35 | C21 | N32 | H32 | 167.4° | 180.0° |
| O36 | C22 | O34 | H34 | 0.0° | 0.1° |
| O37 | C23 | O38 | H231 | 120.5° | 118.5° |
| O37 | C23 | O38 | H232 | 120.5° | 118.6° |
| O37 | C23 | H231 | H232 | 118.5° | 122.9° |
| O38 | C23 | H231 | H232 | 118.5° | 122.8° |
| C24 | C29 | C30 | H291 | 119.4° | 120.0° |
| C24 | C29 | C30 | H292 | 119.3° | 119.9° |
| C24 | C29 | C30 | C31 | 172.0° | 180.0° |
| C29 | C24 | H241 | H242 | 120.0° | 120.0° |
| C29 | C24 | H241 | H243 | 120.0° | 120.0° |
| C29 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C29 | H291 | H292 | 121.9° | 120.0° |
| C24 | C29 | C30 | H301 | 51.8° | 59.9° |
| C24 | C29 | C30 | H302 | 67.8° | 60.0° |
| O39 | C25 | H251 | H252 | 120.0° | 120.0° |
| O39 | C25 | H251 | H253 | 120.0° | 120.0° |
| O39 | C25 | H252 | H253 | 120.0° | 120.0° |
| C26 | N33 | C27 | C28 | 131.1° | 123.9° |
| N33 | C26 | H261 | H262 | 116.9° | 119.9° |
| C26 | N33 | C27 | H271 | 62.6° | 43.2° |
| C26 | N33 | C27 | H272 | 57.6° | 163.1° |
| C26 | N33 | C28 | H281 | 50.8° | 75.8° |
| C26 | N33 | C28 | H282 | 169.2° | 44.3° |
| C27 | N33 | C26 | H261 | 173.5° | 70.0° |
| C27 | N33 | C26 | H262 | 55.4° | 50.0° |
| N33 | C27 | H271 | H272 | 120.4° | 120.0° |
| C27 | N33 | C28 | H281 | 173.2° | 48.2° |
| C27 | N33 | C28 | H282 | 54.8° | 168.2° |
| C28 | N33 | C26 | H261 | 39.2° | 54.0° |
| C28 | N33 | C26 | H262 | 78.9° | 174.0° |
| C28 | N33 | C27 | H271 | 166.2° | 80.7° |
| C28 | N33 | C27 | H272 | 73.5° | 39.2° |
| N33 | C28 | C20 | H20 | 84.7° | 56.8° |
| N33 | C28 | H281 | H282 | 117.6° | 120.0° |
| C29 | C30 | C31 | H301 | 120.2° | 120.0° |
| C29 | C30 | C31 | H302 | 120.2° | 119.9° |
| C29 | C30 | C31 | N32 | 62.2° | 65.0° |
| C29 | C30 | C31 | H31 | 55.6° | 55.1° |
| C30 | C29 | C24 | H241 | 180.0° | 180.0° |
| C30 | C29 | C24 | H242 | 60.0° | 60.1° |
| C30 | C29 | C24 | H243 | 60.0° | 60.0° |
| C30 | C29 | H291 | H292 | 121.9° | 120.0° |
| C29 | C30 | H301 | H302 | 119.5° | 119.9° |
| C30 | C31 | N32 | H31 | 117.4° | 120.1° |
| C30 | C31 | N32 | H32 | 28.2° | 95.0° |
| C31 | C30 | C29 | H291 | 68.6° | 60.0° |
| C31 | C30 | C29 | H292 | 52.7° | 60.1° |
| C31 | C30 | H301 | H302 | 119.4° | 120.1° |
| N32 | C31 | C30 | H301 | 177.6° | 175.0° |
| N32 | C31 | C30 | H302 | 58.0° | 54.9° |
| H1 | C1 | C2 | H2 | 1.0° | 0.3° |
| H1 | C1 | C3 | H3 | 0.1° | 0.3° |
| H2 | C2 | C4 | H4 | 1.4° | 0.0° |
| H5 | C5 | C8 | H8 | 0.2° | 0.2° |
| H6 | C6 | C9 | H9 | 1.3° | 0.3° |
| H7 | C7 | C10 | H10 | 0.3° | 0.1° |
| H31 | C31 | N32 | H32 | 145.6° | 144.9° |
| H31 | C31 | C30 | H301 | 64.6° | 65.0° |
| H31 | C31 | C30 | H302 | 175.8° | 175.0° |
| H191 | C19 | C20 | H20 | 180.0° | 0.0° |
| H192 | C19 | C20 | H20 | 0.0° | 180.0° |
| H20 | C20 | C28 | H281 | 154.5° | 63.2° |
| H20 | C20 | C28 | H282 | 36.1° | 176.8° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H241 | C24 | C29 | H291 | 60.7° | 60.0° |
| H241 | C24 | C29 | H292 | 60.6° | 60.0° |
| H242 | C24 | C29 | H291 | 59.4° | 60.0° |
| H242 | C24 | C29 | H292 | 179.3° | NaN° |
| H243 | C24 | C29 | H291 | 179.3° | 180.0° |
| H243 | C24 | C29 | H292 | 59.4° | 59.9° |
| H291 | C29 | C30 | H301 | 171.2° | 179.9° |
| H291 | C29 | C30 | H302 | 51.6° | 60.0° |
| H292 | C29 | C30 | H301 | 67.5° | 60.0° |
| H292 | C29 | C30 | H302 | 172.8° | 180.0° |
| H251 | C25 | H252 | H253 | 119.9° | 120.0° |
