QCH
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 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C15 | sing | 1.48Å | 1.47Å | |
| C8 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C16 | sing | 1.47Å | 1.49Å | |
| C9 | C24 | sing | 1.51Å | 1.49Å | |
| C10 | C25 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O38 | sing | 1.36Å | 1.38Å | |
| C12 | O37 | sing | 1.36Å | 1.38Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C18 | sing | 1.53Å | 1.52Å | |
| C14 | C20 | sing | 1.53Å | 1.52Å | |
| C15 | N30 | sing | 1.35Å | 1.37Å | |
| C15 | O34 | doub | 1.22Å | 1.22Å | |
| C16 | O32 | doub | 1.21Å | 1.26Å | |
| C16 | O35 | sing | 1.35Å | 1.27Å | |
| C17 | C27 | sing | 1.51Å | 1.51Å | |
| C17 | O33 | doub | 1.21Å | 1.26Å | |
| C17 | O36 | sing | 1.34Å | 1.26Å | |
| C19 | C22 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | O37 | sing | 1.43Å | 1.42Å | |
| C21 | C23 | sing | 1.54Å | 1.49Å | |
| C22 | C28 | sing | 1.53Å | 1.51Å | |
| C24 | N31 | sing | 1.47Å | 1.50Å | |
| C25 | N31 | sing | 1.47Å | 1.52Å | |
| C26 | N31 | sing | 1.47Å | 1.49Å | |
| C27 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | N30 | sing | 1.46Å | 1.43Å | |
| C29 | C23 | sing | 1.53Å | 1.52Å | |
| O38 | C23 | sing | 1.43Å | 1.43Å | |
| 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 | |
| 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 | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.6° | 120.2° |
| C1 | C2 | C4 | 119.9° | 120.2° |
| C2 | C1 | H1 | 120.2° | 119.9° |
| C1 | C2 | H2 | 120.0° | 119.8° |
| C1 | C3 | C7 | 120.2° | 119.8° |
| C3 | C1 | H1 | 120.2° | 119.9° |
| C1 | C3 | H3 | 119.9° | 120.1° |
| C2 | C4 | C9 | 121.0° | 120.2° |
| C4 | C2 | H2 | 120.1° | 119.9° |
| C2 | C4 | H4 | 119.5° | 119.9° |
| C3 | C7 | C9 | 120.4° | 119.8° |
| C3 | C7 | C15 | 118.0° | 120.1° |
| C7 | C3 | H3 | 119.9° | 120.1° |
| C4 | C9 | C7 | 118.9° | 119.8° |
| C4 | C9 | C24 | 118.1° | 120.1° |
| C9 | C4 | H4 | 119.5° | 119.9° |
| C6 | C5 | C10 | 121.2° | 120.3° |
| C5 | C6 | C11 | 119.3° | 120.4° |
| C6 | C5 | H5 | 119.4° | 119.9° |
| C5 | C6 | H6 | 120.3° | 119.8° |
| C5 | C10 | C8 | 119.7° | 120.0° |
| C5 | C10 | C25 | 117.5° | 120.1° |
| C10 | C5 | H5 | 119.4° | 119.8° |
| C6 | C11 | C12 | 120.0° | 119.9° |
| C6 | C11 | O38 | 117.5° | 119.4° |
| C11 | C6 | H6 | 120.3° | 119.8° |
| C9 | C7 | C15 | 121.6° | 120.1° |
| C7 | C9 | C24 | 123.0° | 120.1° |
| C7 | C15 | N30 | 114.4° | 120.0° |
| C7 | C15 | O34 | 121.9° | 120.0° |
| C10 | C8 | C12 | 118.8° | 119.7° |
| C10 | C8 | C16 | 121.0° | 120.1° |
| C8 | C10 | C25 | 122.7° | 120.0° |
| C12 | C8 | C16 | 120.2° | 120.2° |
| C8 | C12 | C11 | 121.0° | 119.7° |
| C8 | C12 | O37 | 116.8° | 119.4° |
| C8 | C16 | O32 | 121.0° | 120.0° |
| C8 | C16 | O35 | 114.6° | 119.9° |
| C9 | C24 | N31 | 115.8° | 109.5° |
| C9 | C24 | H241 | 107.9° | 109.5° |
| C9 | C24 | H242 | 107.9° | 109.5° |
| C10 | C25 | N31 | 109.6° | 109.5° |
| C10 | C25 | H251 | 109.4° | 109.5° |
| C10 | C25 | H252 | 109.4° | 109.4° |
| C12 | C11 | O38 | 122.5° | 120.7° |
| C11 | C12 | O37 | 122.2° | 120.9° |
| C11 | O38 | C23 | 108.3° | 116.7° |
| C12 | O37 | C21 | 113.3° | 116.7° |
| C14 | C13 | C18 | 109.5° | 109.5° |
| C13 | C14 | C20 | 109.9° | 109.5° |
| C14 | C13 | H131 | 109.4° | 109.5° |
| C14 | C13 | H132 | 109.5° | 109.5° |
| C13 | C14 | H141 | 109.4° | 109.4° |
| C13 | C14 | H142 | 109.4° | 109.5° |
| C13 | C18 | C19 | 111.7° | 109.5° |
| C18 | C13 | H131 | 109.5° | 109.5° |
| C18 | C13 | H132 | 109.4° | 109.5° |
| C13 | C18 | H181 | 108.9° | 109.4° |
| C13 | C18 | H182 | 108.9° | 109.5° |
| C14 | C20 | C22 | 111.0° | 109.5° |
| C20 | C14 | H141 | 109.4° | 109.5° |
| C20 | C14 | H142 | 109.3° | 109.5° |
| C14 | C20 | H201 | 109.1° | 109.4° |
| C14 | C20 | H202 | 109.1° | 109.5° |
| N30 | C15 | O34 | 123.7° | 120.0° |
| C15 | N30 | C28 | 120.4° | 120.0° |
| C15 | N30 | H30 | 119.8° | 119.9° |
| O32 | C16 | O35 | 124.0° | 120.0° |
| C16 | O35 | H35 | 109.5° | 116.9° |
| C27 | C17 | O33 | 116.3° | 120.0° |
| C27 | C17 | O36 | 113.9° | 120.0° |
| C17 | C27 | C29 | 104.4° | 109.5° |
| C17 | C27 | H271 | 110.7° | 109.5° |
| C17 | C27 | H272 | 110.7° | 109.5° |
| O33 | C17 | O36 | 129.7° | 120.0° |
| C17 | O36 | H36 | 109.5° | 117.0° |
| C22 | C19 | C18 | 109.4° | 109.5° |
| C19 | C22 | C20 | 110.5° | 109.5° |
| C19 | C22 | C28 | 111.9° | 109.5° |
| C22 | C19 | H191 | 109.5° | 109.5° |
| C22 | C19 | H192 | 109.5° | 109.5° |
| C19 | C22 | H22 | 107.8° | 109.4° |
| C19 | C18 | H181 | 108.9° | 109.5° |
| C19 | C18 | H182 | 108.9° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C20 | C22 | C28 | 110.8° | 109.5° |
| C22 | C20 | H201 | 109.1° | 109.5° |
| C22 | C20 | H202 | 109.1° | 109.5° |
| C20 | C22 | H22 | 107.8° | 109.4° |
| O37 | C21 | C23 | 109.5° | 108.2° |
| O37 | C21 | H211 | 109.5° | 109.7° |
| O37 | C21 | H212 | 109.5° | 109.7° |
| C21 | C23 | C29 | 105.0° | 109.7° |
| C21 | C23 | O38 | 109.7° | 108.2° |
| C23 | C21 | H211 | 109.5° | 109.8° |
| C23 | C21 | H212 | 109.5° | 109.7° |
| C21 | C23 | H23 | 109.8° | 109.7° |
| C22 | C28 | N30 | 108.4° | 109.5° |
| C28 | C22 | H22 | 107.9° | 109.5° |
| C22 | C28 | H281 | 109.7° | 109.4° |
| C22 | C28 | H282 | 109.8° | 109.5° |
| C24 | N31 | C25 | 116.5° | 111.0° |
| C24 | N31 | C26 | 106.3° | 111.0° |
| N31 | C24 | H241 | 107.9° | 109.4° |
| N31 | C24 | H242 | 107.9° | 109.5° |
| C25 | N31 | C26 | 115.1° | 111.0° |
| N31 | C25 | H251 | 109.5° | 109.5° |
| N31 | C25 | H252 | 109.5° | 109.5° |
| N31 | C26 | H261 | 109.5° | 109.5° |
| N31 | C26 | H262 | 109.5° | 109.4° |
| N31 | C26 | H263 | 109.5° | 109.5° |
| C27 | C29 | C23 | 111.8° | 109.5° |
| C29 | C27 | H271 | 110.7° | 109.5° |
| C29 | C27 | H272 | 110.7° | 109.5° |
| C27 | C29 | H291 | 108.9° | 109.5° |
| C27 | C29 | H292 | 108.9° | 109.5° |
| C28 | N30 | H30 | 119.8° | 120.0° |
| N30 | C28 | H281 | 109.8° | 109.5° |
| N30 | C28 | H282 | 109.7° | 109.5° |
| C29 | C23 | O38 | 112.1° | 109.7° |
| C29 | C23 | H23 | 109.4° | 109.8° |
| C23 | C29 | H291 | 108.9° | 109.5° |
| C23 | C29 | H292 | 108.9° | 109.5° |
| O38 | C23 | H23 | 110.6° | 109.8° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.8° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H291 | C29 | H292 | 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 | C7 | 0.1° | 0.0° |
| C1 | C2 | C4 | C9 | 0.1° | 0.0° |
| C2 | C1 | C3 | H3 | 179.9° | 180.0° |
| C1 | C2 | C4 | H4 | 180.0° | 180.0° |
| C3 | C1 | C2 | C4 | 0.2° | 0.0° |
| C1 | C3 | C7 | H3 | 180.0° | 180.0° |
| C1 | C3 | C7 | C9 | 0.2° | 0.0° |
| C1 | C3 | C7 | C15 | 179.9° | 180.0° |
| C3 | C1 | C2 | H2 | 179.8° | 180.0° |
| C2 | C4 | C9 | H4 | 180.0° | 180.0° |
| C2 | C4 | C9 | C7 | 0.2° | 0.0° |
| C2 | C4 | C9 | C24 | 179.8° | 180.0° |
| C4 | C2 | C1 | H1 | 179.8° | 179.7° |
| C3 | C7 | C9 | C4 | 0.3° | 0.0° |
| C3 | C7 | C9 | C15 | 179.7° | 180.0° |
| C3 | C7 | C9 | C24 | 179.9° | 180.0° |
| C3 | C7 | C15 | N30 | 45.9° | 0.0° |
| C3 | C7 | C15 | O34 | 134.8° | 180.0° |
| C7 | C3 | C1 | H1 | 179.9° | 179.7° |
| C4 | C9 | C7 | C24 | 179.6° | 180.0° |
| C4 | C9 | C7 | C15 | 180.0° | 180.0° |
| C4 | C9 | C24 | N31 | 79.1° | 100.0° |
| C9 | C4 | C2 | H2 | 180.0° | 180.0° |
| C4 | C9 | C24 | H241 | 41.8° | 20.0° |
| C4 | C9 | C24 | H242 | 160.0° | 140.0° |
| C6 | C5 | C10 | H5 | 180.0° | 179.7° |
| C5 | C6 | C11 | H6 | 180.0° | 180.0° |
| C6 | C5 | C10 | C8 | 0.4° | 0.0° |
| C6 | C5 | C10 | C25 | 179.6° | 179.9° |
| C5 | C6 | C11 | C12 | 1.7° | 0.1° |
| C5 | C6 | C11 | O38 | 178.8° | 179.7° |
| C10 | C5 | C6 | C11 | 1.4° | 0.0° |
| C5 | C10 | C8 | C25 | 179.1° | 179.9° |
| C5 | C10 | C8 | C12 | 0.2° | 0.0° |
| C5 | C10 | C8 | C16 | 178.1° | 180.0° |
| C5 | C10 | C25 | N31 | 106.9° | 104.5° |
| C10 | C5 | C6 | H6 | 178.6° | 180.0° |
| C5 | C10 | C25 | H251 | 133.1° | 135.4° |
| C5 | C10 | C25 | H252 | 13.1° | 15.4° |
| C6 | C11 | C12 | C8 | 1.1° | 0.2° |
| C6 | C11 | C12 | O38 | 179.5° | 179.8° |
| C6 | C11 | C12 | O37 | 179.5° | 179.6° |
| C6 | C11 | O38 | C23 | 155.6° | 162.9° |
| C11 | C6 | C5 | H5 | 178.6° | 179.7° |
| C9 | C7 | C15 | N30 | 133.8° | 180.0° |
| C9 | C7 | C15 | O34 | 45.5° | 0.0° |
| C7 | C9 | C24 | N31 | 101.3° | 80.0° |
| C9 | C7 | C3 | H3 | 179.8° | 180.0° |
| C7 | C9 | C4 | H4 | 179.8° | 180.0° |
| C7 | C9 | C24 | H241 | 137.8° | 160.0° |
| C7 | C9 | C24 | H242 | 19.7° | 40.0° |
| C15 | C7 | C9 | C24 | 0.4° | 0.0° |
| C7 | C15 | N30 | O34 | 179.3° | 180.0° |
| C7 | C15 | N30 | C28 | 177.0° | 180.0° |
| C15 | C7 | C3 | H3 | 0.1° | 0.0° |
| C7 | C15 | N30 | H30 | 3.0° | 0.0° |
| C10 | C8 | C12 | C16 | 178.3° | 180.0° |
| C10 | C8 | C12 | C11 | 0.1° | 0.1° |
| C10 | C8 | C12 | O37 | 178.6° | 179.7° |
| C10 | C8 | C16 | O32 | 35.6° | 95.5° |
| C10 | C8 | C16 | O35 | 137.5° | 84.6° |
| C8 | C10 | C25 | N31 | 72.3° | 75.5° |
| C8 | C10 | C5 | H5 | 179.6° | 179.7° |
| C8 | C10 | C25 | H251 | 47.8° | 44.5° |
| C8 | C10 | C25 | H252 | 167.7° | 164.5° |
| C12 | C8 | C10 | C25 | 179.0° | 180.0° |
| C8 | C12 | C11 | O37 | 178.4° | 179.8° |
| C8 | C12 | C11 | O38 | 179.4° | 179.6° |
| C12 | C8 | C16 | O32 | 146.1° | 84.5° |
| C12 | C8 | C16 | O35 | 40.8° | 95.4° |
| C8 | C12 | O37 | C21 | 171.6° | 162.7° |
| C16 | C8 | C10 | C25 | 2.7° | 0.1° |
| C16 | C8 | C12 | C11 | 178.5° | 179.9° |
| C16 | C8 | C12 | O37 | 3.0° | 0.3° |
| C8 | C16 | O32 | O35 | 172.5° | 179.9° |
| C8 | C16 | O35 | H35 | 172.9° | 180.0° |
| C9 | C24 | N31 | H241 | 120.9° | 120.0° |
| C9 | C24 | N31 | H242 | 120.9° | 120.0° |
| C9 | C24 | N31 | C25 | 67.8° | 170.0° |
| C9 | C24 | N31 | C26 | 162.4° | 66.0° |
| C24 | C9 | C4 | H4 | 0.2° | 0.0° |
| C9 | C24 | H241 | H242 | 117.1° | 120.1° |
| C10 | C25 | N31 | C24 | 173.5° | 175.6° |
| C10 | C25 | N31 | H251 | 120.0° | 120.0° |
| C10 | C25 | N31 | H252 | 120.0° | 119.9° |
| C10 | C25 | N31 | C26 | 48.0° | 60.5° |
| C25 | C10 | C5 | H5 | 0.4° | 0.2° |
| C10 | C25 | H251 | H252 | 119.9° | 120.0° |
| C11 | C12 | O37 | C21 | 9.9° | 17.5° |
| C12 | C11 | O38 | C23 | 24.8° | 17.3° |
| C12 | C11 | C6 | H6 | 178.3° | 179.9° |
| O38 | C11 | C12 | O37 | 1.0° | 0.6° |
| C11 | O38 | C23 | C21 | 56.3° | 46.2° |
| C11 | O38 | C23 | C29 | 172.7° | 165.8° |
| O38 | C11 | C6 | H6 | 1.2° | 0.3° |
| C11 | O38 | C23 | H23 | 64.9° | 73.5° |
| C12 | O37 | C21 | C23 | 41.1° | 46.3° |
| C12 | O37 | C21 | H211 | 78.9° | 73.4° |
| C12 | O37 | C21 | H212 | 161.1° | 166.0° |
| C14 | C13 | C18 | H131 | 120.0° | 120.0° |
| C14 | C13 | C18 | H132 | 120.0° | 120.0° |
| C13 | C14 | C20 | H141 | 120.0° | 119.9° |
| C13 | C14 | C20 | H142 | 120.1° | 120.0° |
| C14 | C13 | C18 | C19 | 24.5° | 60.0° |
| C13 | C14 | C20 | C22 | 40.7° | 60.0° |
| C14 | C13 | H131 | H132 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 119.8° | 120.0° |
| C14 | C13 | C18 | H181 | 144.9° | 60.0° |
| C14 | C13 | C18 | H182 | 95.8° | 180.0° |
| C13 | C14 | C20 | H201 | 160.9° | 60.0° |
| C13 | C14 | C20 | H202 | 79.6° | 180.0° |
| C18 | C13 | C14 | C20 | 67.3° | 60.0° |
| C13 | C18 | C19 | C22 | 39.0° | 60.0° |
| C13 | C18 | C19 | H181 | 120.3° | 120.0° |
| C13 | C18 | C19 | H182 | 120.3° | 120.0° |
| C18 | C13 | H131 | H132 | 120.0° | 120.0° |
| C18 | C13 | C14 | H141 | 52.7° | 180.0° |
| C18 | C13 | C14 | H142 | 172.6° | 60.1° |
| C13 | C18 | H181 | H182 | 119.0° | 120.0° |
| C13 | C18 | C19 | H191 | 81.0° | 60.0° |
| C13 | C18 | C19 | H192 | 159.0° | 180.0° |
| C14 | C20 | C22 | C19 | 23.7° | 59.9° |
| C14 | C20 | C22 | H201 | 120.2° | 120.0° |
| C14 | C20 | C22 | H202 | 120.2° | 120.1° |
| C14 | C20 | C22 | C28 | 148.3° | NaN° |
| C20 | C14 | C13 | H131 | 52.7° | 180.0° |
| C20 | C14 | C13 | H132 | 172.6° | 60.0° |
| C20 | C14 | H141 | H142 | 119.8° | 120.0° |
| C14 | C20 | H201 | H202 | 119.3° | 120.0° |
| C14 | C20 | C22 | H22 | 93.9° | 60.0° |
| C15 | N30 | C28 | C22 | 110.1° | 180.0° |
| C15 | N30 | C28 | H30 | 180.0° | 180.0° |
| C15 | N30 | C28 | H281 | 130.1° | 60.0° |
| C15 | N30 | C28 | H282 | 9.8° | 60.0° |
| O34 | C15 | N30 | C28 | 2.4° | 0.0° |
| O34 | C15 | N30 | H30 | 177.6° | 180.0° |
| O32 | C16 | O35 | H35 | 0.0° | 0.1° |
| C27 | C17 | O33 | O36 | 178.0° | 180.0° |
| C17 | C27 | C29 | H271 | 119.2° | 120.0° |
| C17 | C27 | C29 | H272 | 119.2° | 120.0° |
| C17 | C27 | C29 | C23 | 79.3° | 180.0° |
| C17 | C27 | H271 | H272 | 122.3° | 120.0° |
| C27 | C17 | O36 | H36 | 178.0° | 180.0° |
| C17 | C27 | C29 | H291 | 41.1° | 60.0° |
| C17 | C27 | C29 | H292 | 160.3° | 60.0° |
| O33 | C17 | C27 | C29 | 45.9° | 0.0° |
| O33 | C17 | C27 | H271 | 73.3° | 120.0° |
| O33 | C17 | C27 | H272 | 165.1° | 120.0° |
| O33 | C17 | O36 | H36 | 0.0° | 0.0° |
| O36 | C17 | C27 | C29 | 135.8° | 180.0° |
| O36 | C17 | C27 | H271 | 105.0° | 60.0° |
| O36 | C17 | C27 | H272 | 16.6° | 60.0° |
| C22 | C19 | C18 | H191 | 120.0° | 120.0° |
| C22 | C19 | C18 | H192 | 120.0° | 120.1° |
| C19 | C22 | C20 | C28 | 124.6° | 120.1° |
| C19 | C22 | C20 | H22 | 117.6° | 119.9° |
| C19 | C22 | C28 | H22 | 118.4° | 120.0° |
| C19 | C22 | C28 | N30 | 148.3° | 175.0° |
| C22 | C19 | C18 | H181 | 81.3° | 60.0° |
| C22 | C19 | C18 | H182 | 159.4° | 180.0° |
| C19 | C22 | C20 | H201 | 96.5° | 60.1° |
| C19 | C22 | C20 | H202 | 143.9° | 180.0° |
| C22 | C19 | H191 | H192 | 120.0° | 120.0° |
| C19 | C22 | C28 | H281 | 28.4° | 55.0° |
| C19 | C22 | C28 | H282 | 91.9° | 65.0° |
| C18 | C19 | C22 | C20 | 65.9° | 59.9° |
| C18 | C19 | C22 | C28 | 170.1° | 180.0° |
| C19 | C18 | C13 | H131 | 95.5° | 180.0° |
| C19 | C18 | C13 | H132 | 144.6° | 60.0° |
| C19 | C18 | H181 | H182 | 119.0° | 120.0° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | C22 | H22 | 51.7° | 60.0° |
| C20 | C22 | C28 | H22 | 117.7° | 120.0° |
| C20 | C22 | C28 | N30 | 87.9° | 65.0° |
| C22 | C20 | C14 | H141 | 79.4° | 179.9° |
| C22 | C20 | C14 | H142 | 160.7° | 60.1° |
| C22 | C20 | H201 | H202 | 119.3° | 120.0° |
| C20 | C22 | C19 | H191 | 54.0° | 60.1° |
| C20 | C22 | C19 | H192 | 174.1° | 180.0° |
| C20 | C22 | C28 | H281 | 152.3° | 175.0° |
| C20 | C22 | C28 | H282 | 31.9° | 55.0° |
| O37 | C21 | C23 | H211 | 120.0° | 119.7° |
| O37 | C21 | C23 | H212 | 120.0° | 119.7° |
| O37 | C21 | C23 | C29 | 172.0° | 179.3° |
| O37 | C21 | C23 | O38 | 67.3° | 59.7° |
| O37 | C21 | H211 | H212 | 120.0° | 120.6° |
| O37 | C21 | C23 | H23 | 54.5° | 60.1° |
| C21 | C23 | C29 | C27 | 172.1° | 175.0° |
| C21 | C23 | C29 | O38 | 119.1° | 118.8° |
| C21 | C23 | C29 | H23 | 117.8° | 120.6° |
| C21 | C23 | O38 | H23 | 121.3° | 119.7° |
| C23 | C21 | H211 | H212 | 120.0° | 120.6° |
| C21 | C23 | C29 | H291 | 67.5° | 55.0° |
| C21 | C23 | C29 | H292 | 51.8° | 65.0° |
| C22 | C28 | N30 | H281 | 119.8° | 120.0° |
| C22 | C28 | N30 | H282 | 119.8° | 120.0° |
| C28 | C22 | C20 | H201 | 28.1° | 60.0° |
| C28 | C22 | C20 | H202 | 91.5° | 59.9° |
| C22 | C28 | N30 | H30 | 69.9° | 0.0° |
| C28 | C22 | C19 | H191 | 69.9° | 60.0° |
| C28 | C22 | C19 | H192 | 50.1° | 60.0° |
| C22 | C28 | H281 | H282 | 120.5° | 120.0° |
| C24 | N31 | C25 | C26 | 125.4° | 124.0° |
| N31 | C24 | H241 | H242 | 117.1° | 119.9° |
| C24 | N31 | C25 | H251 | 66.5° | 55.6° |
| C24 | N31 | C25 | H252 | 53.5° | 64.5° |
| C24 | N31 | C26 | H261 | 180.0° | 64.0° |
| C24 | N31 | C26 | H262 | 60.0° | 175.9° |
| C24 | N31 | C26 | H263 | 60.0° | 55.9° |
| C25 | N31 | C24 | H241 | 171.3° | 70.0° |
| C25 | N31 | C24 | H242 | 53.2° | 49.9° |
| N31 | C25 | H251 | H252 | 120.0° | 120.0° |
| C25 | N31 | C26 | H261 | 49.5° | 59.9° |
| C25 | N31 | C26 | H262 | 169.5° | 60.1° |
| C25 | N31 | C26 | H263 | 70.5° | 179.9° |
| C26 | N31 | C24 | H241 | 41.5° | 54.0° |
| C26 | N31 | C24 | H242 | 76.6° | 173.9° |
| C26 | N31 | C25 | H251 | 168.0° | 179.5° |
| C26 | N31 | C25 | H252 | 72.0° | 59.5° |
| N31 | C26 | H261 | H262 | 120.0° | 120.0° |
| N31 | C26 | H261 | H263 | 120.0° | 120.0° |
| N31 | C26 | H262 | H263 | 120.0° | 120.0° |
| C27 | C29 | C23 | H291 | 120.4° | 120.0° |
| C27 | C29 | C23 | H292 | 120.3° | 120.0° |
| C27 | C29 | C23 | O38 | 53.0° | 66.2° |
| C29 | C27 | H271 | H272 | 122.4° | 120.0° |
| C27 | C29 | C23 | H23 | 70.1° | 54.4° |
| C27 | C29 | H291 | H292 | 118.9° | 120.0° |
| N30 | C28 | C22 | H22 | 29.8° | 55.0° |
| N30 | C28 | H281 | H282 | 120.5° | 120.0° |
| C29 | C23 | O38 | H23 | 122.4° | 120.7° |
| C23 | C29 | C27 | H271 | 161.5° | 60.0° |
| C23 | C29 | C27 | H272 | 39.9° | 60.0° |
| C29 | C23 | C21 | H211 | 68.0° | 59.7° |
| C29 | C23 | C21 | H212 | 52.0° | 61.0° |
| C23 | C29 | H291 | H292 | 119.0° | 120.0° |
| O38 | C23 | C21 | H211 | 52.6° | 60.0° |
| O38 | C23 | C21 | H212 | 172.7° | 179.4° |
| O38 | C23 | C29 | H291 | 173.4° | 173.8° |
| O38 | C23 | C29 | H292 | 67.3° | 53.7° |
| H1 | C1 | C2 | H2 | 0.2° | 0.3° |
| H1 | C1 | C3 | H3 | 0.1° | 0.3° |
| H2 | C2 | C4 | H4 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 1.4° | 0.3° |
| H131 | C13 | C14 | H141 | 172.7° | 60.0° |
| H131 | C13 | C14 | H142 | 67.4° | 60.0° |
| H131 | C13 | C18 | H181 | 24.9° | 60.0° |
| H131 | C13 | C18 | H182 | 144.2° | 60.0° |
| H132 | C13 | C14 | H141 | 67.3° | 60.0° |
| H132 | C13 | C14 | H142 | 52.6° | 179.9° |
| H132 | C13 | C18 | H181 | 95.1° | 180.0° |
| H132 | C13 | C18 | H182 | 24.2° | 59.9° |
| H141 | C14 | C20 | H201 | 40.8° | 59.9° |
| H141 | C14 | C20 | H202 | 160.4° | 60.0° |
| H142 | C14 | C20 | H201 | 79.0° | 180.0° |
| H142 | C14 | C20 | H202 | 40.5° | 60.0° |
| H181 | C18 | C19 | H191 | 158.7° | 180.0° |
| H181 | C18 | C19 | H192 | 38.7° | 60.1° |
| H182 | C18 | C19 | H191 | 39.4° | 60.0° |
| H182 | C18 | C19 | H192 | 80.6° | 60.0° |
| H201 | C20 | C22 | H22 | 145.9° | 180.0° |
| H202 | C20 | C22 | H22 | 26.3° | 60.1° |
| H30 | N30 | C28 | H281 | 49.9° | 120.0° |
| H30 | N30 | C28 | H282 | 170.2° | 120.0° |
| H271 | C27 | C29 | H291 | 78.1° | 180.0° |
| H271 | C27 | C29 | H292 | 41.2° | 60.0° |
| H272 | C27 | C29 | H291 | 160.2° | 60.0° |
| H272 | C27 | C29 | H292 | 80.5° | 180.0° |
| H191 | C19 | C22 | H22 | 171.6° | 180.0° |
| H192 | C19 | C22 | H22 | 68.4° | 60.1° |
| H22 | C22 | C28 | H281 | 90.0° | 65.0° |
| H22 | C22 | C28 | H282 | 149.7° | 175.0° |
| H211 | C21 | C23 | H23 | 174.4° | 179.7° |
| H212 | C21 | C23 | H23 | 65.5° | 59.6° |
| H23 | C23 | C29 | H291 | 50.3° | 65.5° |
| H23 | C23 | C29 | H292 | 169.6° | 174.4° |
| H261 | C26 | H262 | H263 | 119.9° | 120.0° |
