CMQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.22Å | 1.22Å | |
| C1 | O1 | sing | 1.35Å | 1.44Å | |
| C1 | N1 | sing | 1.35Å | 1.31Å | |
| O1 | C2 | sing | 1.45Å | 1.43Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.47Å | 1.44Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C10 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C15 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | sing | 1.43Å | 1.43Å | |
| C16 | C24 | sing | 1.53Å | 1.56Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | O5 | sing | 1.36Å | 1.36Å | |
| C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C22 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 118.7° | 120.0° |
| O2 | C1 | N1 | 125.6° | 120.0° |
| O1 | C1 | N1 | 115.7° | 120.0° |
| C1 | O1 | C2 | 113.9° | 120.0° |
| C1 | N1 | C9 | 123.6° | 120.0° |
| C1 | N1 | HN1 | 118.2° | 120.0° |
| O1 | C2 | C3 | 115.6° | 109.5° |
| O1 | C2 | H21A | 107.5° | 109.5° |
| O1 | C2 | H22A | 106.1° | 109.5° |
| C3 | C2 | H21A | 107.5° | 109.4° |
| C3 | C2 | H22A | 106.1° | 109.5° |
| C2 | C3 | C4 | 117.9° | 120.0° |
| C2 | C3 | C8 | 121.0° | 120.0° |
| H21A | C2 | H22A | 114.4° | 109.4° |
| C4 | C3 | C8 | 121.2° | 119.9° |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C3 | C8 | C7 | 118.7° | 120.1° |
| C3 | C8 | H8 | 120.6° | 119.9° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | C6 | 120.0° | 119.9° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C5 | C6 | H6 | 119.5° | 119.9° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | H8 | 120.6° | 120.0° |
| C9 | N1 | HN1 | 118.2° | 120.0° |
| N1 | C9 | C11 | 109.6° | 109.5° |
| N1 | C9 | C10 | 104.3° | 109.5° |
| N1 | C9 | H9 | 111.8° | 109.5° |
| C11 | C9 | C10 | 106.7° | 109.5° |
| C11 | C9 | H9 | 109.6° | 109.4° |
| C9 | C11 | C12 | 111.4° | 109.5° |
| C9 | C11 | H111 | 108.8° | 109.4° |
| C9 | C11 | H112 | 108.4° | 109.5° |
| C10 | C9 | H9 | 114.5° | 109.5° |
| C9 | C10 | O3 | 120.5° | 120.0° |
| C9 | C10 | N2 | 116.3° | 120.0° |
| C12 | C11 | H111 | 108.8° | 109.5° |
| C12 | C11 | H112 | 108.4° | 109.5° |
| C11 | C12 | C13 | 110.7° | 109.5° |
| C11 | C12 | C14 | 109.8° | 109.5° |
| C11 | C12 | H12 | 108.2° | 109.5° |
| H111 | C11 | H112 | 111.0° | 109.5° |
| C13 | C12 | C14 | 108.6° | 109.5° |
| C13 | C12 | H12 | 109.3° | 109.4° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C14 | C12 | H12 | 110.2° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.4° |
| C12 | C14 | H142 | 109.5° | 109.4° |
| C12 | C14 | H143 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| O3 | C10 | N2 | 123.2° | 120.0° |
| C10 | N2 | C15 | 121.4° | 120.0° |
| C10 | N2 | HN2 | 119.3° | 120.0° |
| C15 | N2 | HN2 | 119.3° | 120.0° |
| N2 | C15 | C16 | 105.1° | 109.5° |
| N2 | C15 | C17 | 104.3° | 109.4° |
| N2 | C15 | H15 | 117.6° | 109.5° |
| C16 | C15 | C17 | 115.4° | 109.5° |
| C16 | C15 | H15 | 107.1° | 109.5° |
| C15 | C16 | O4 | 108.3° | 109.5° |
| C15 | C16 | C24 | 113.6° | 109.4° |
| C15 | C16 | H16 | 108.1° | 109.4° |
| C17 | C15 | H15 | 107.8° | 109.5° |
| C15 | C17 | C18 | 112.5° | 109.5° |
| C15 | C17 | H171 | 108.5° | 109.5° |
| C15 | C17 | H172 | 107.8° | 109.4° |
| O4 | C16 | C24 | 111.3° | 109.5° |
| O4 | C16 | H16 | 110.5° | 109.5° |
| C16 | O4 | HO4 | 109.5° | 106.8° |
| C24 | C16 | H16 | 104.9° | 109.5° |
| C16 | C24 | H241 | 109.5° | 109.4° |
| C16 | C24 | H242 | 109.5° | 109.4° |
| C16 | C24 | H243 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.4° |
| C18 | C17 | H171 | 108.5° | 109.5° |
| C18 | C17 | H172 | 107.8° | 109.5° |
| C17 | C18 | C19 | 121.6° | 119.9° |
| C17 | C18 | C20 | 119.7° | 119.9° |
| H171 | C17 | H172 | 111.9° | 109.4° |
| C19 | C18 | C20 | 118.7° | 120.1° |
| C18 | C19 | C21 | 121.7° | 120.0° |
| C18 | C19 | H19 | 119.2° | 120.0° |
| C18 | C20 | C22 | 120.1° | 120.1° |
| C18 | C20 | H20 | 120.0° | 120.0° |
| C21 | C19 | H19 | 119.1° | 120.0° |
| C19 | C21 | C23 | 118.9° | 120.0° |
| C19 | C21 | H21 | 120.5° | 120.0° |
| C23 | C21 | H21 | 120.6° | 120.0° |
| C21 | C23 | O5 | 121.3° | 120.1° |
| C21 | C23 | C22 | 119.5° | 119.9° |
| O5 | C23 | C22 | 118.9° | 120.0° |
| C23 | O5 | HO5 | 109.5° | 106.8° |
| C23 | C22 | C20 | 121.1° | 119.9° |
| C23 | C22 | H22 | 119.5° | 120.0° |
| C20 | C22 | H22 | 119.5° | 120.1° |
| C22 | C20 | H20 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | N1 | 178.5° | 180.0° |
| O2 | C1 | O1 | C2 | 24.0° | 0.0° |
| O2 | C1 | N1 | C9 | 4.3° | 5.2° |
| O2 | C1 | N1 | HN1 | 175.7° | 174.8° |
| C1 | O1 | C2 | C3 | 176.1° | 180.0° |
| C1 | O1 | C2 | H21A | 56.1° | 60.0° |
| C1 | O1 | C2 | H22A | 66.7° | 60.0° |
| O1 | C1 | N1 | C9 | 177.3° | 174.9° |
| O1 | C1 | N1 | HN1 | 2.6° | 5.1° |
| N1 | C1 | O1 | C2 | 157.5° | 179.9° |
| C1 | N1 | C9 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C9 | C11 | 135.9° | 83.6° |
| C1 | N1 | C9 | C10 | 110.2° | 156.5° |
| C1 | N1 | C9 | H9 | 14.1° | 36.4° |
| O1 | C2 | C3 | H21A | 120.0° | 120.0° |
| O1 | C2 | C3 | H22A | 117.2° | 120.0° |
| O1 | C2 | H21A | H22A | 117.5° | 120.0° |
| O1 | C2 | C3 | C4 | 142.1° | 89.9° |
| O1 | C2 | C3 | C8 | 38.5° | 90.3° |
| C3 | C2 | H21A | H22A | 117.5° | 120.0° |
| C2 | C3 | C4 | C8 | 179.4° | 179.8° |
| C2 | C3 | C4 | C5 | 178.1° | 180.0° |
| C2 | C3 | C4 | H4 | 1.9° | 0.0° |
| C2 | C3 | C8 | C7 | 178.3° | 179.8° |
| C2 | C3 | C8 | H8 | 1.7° | 0.2° |
| H21A | C2 | C3 | C4 | 22.1° | 30.1° |
| H21A | C2 | C3 | C8 | 158.4° | 149.7° |
| H22A | C2 | C3 | C4 | 100.7° | 150.0° |
| H22A | C2 | C3 | C8 | 78.8° | 29.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.0° | 0.1° |
| C3 | C4 | C5 | H5 | 179.0° | 180.0° |
| C4 | C3 | C8 | C7 | 1.2° | 0.4° |
| C4 | C3 | C8 | H8 | 178.9° | 180.0° |
| C8 | C3 | C4 | C5 | 1.4° | 0.2° |
| C8 | C3 | C4 | H4 | 178.6° | 179.7° |
| C3 | C8 | C7 | C6 | 0.5° | 0.4° |
| C3 | C8 | C7 | H8 | 180.0° | 179.6° |
| C3 | C8 | C7 | H7 | 179.5° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.4° | 0.1° |
| C4 | C5 | C6 | H6 | 179.6° | 179.9° |
| H4 | C4 | C5 | C6 | 179.0° | 180.0° |
| H4 | C4 | C5 | H5 | 1.0° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.2° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| H5 | C5 | C6 | C7 | 179.6° | 180.0° |
| H5 | C5 | C6 | H6 | 0.4° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | H8 | 179.5° | 180.0° |
| H6 | C6 | C7 | C8 | 179.8° | 179.8° |
| H6 | C6 | C7 | H7 | 0.2° | 0.1° |
| H7 | C7 | C8 | H8 | 0.5° | 0.1° |
| N1 | C9 | C11 | C10 | 112.4° | 120.0° |
| N1 | C9 | C11 | H9 | 123.1° | 120.0° |
| N1 | C9 | C10 | H9 | 122.5° | 120.0° |
| N1 | C9 | C11 | C12 | 60.5° | 174.3° |
| N1 | C9 | C11 | H111 | 59.5° | 65.7° |
| N1 | C9 | C11 | H112 | 179.7° | 54.3° |
| N1 | C9 | C10 | O3 | 26.8° | 18.9° |
| N1 | C9 | C10 | N2 | 154.3° | 161.1° |
| HN1 | N1 | C9 | C11 | 44.1° | 96.4° |
| HN1 | N1 | C9 | C10 | 69.8° | 23.5° |
| HN1 | N1 | C9 | H9 | 165.9° | 143.6° |
| C11 | C9 | C10 | H9 | 121.5° | 120.0° |
| C9 | C11 | C12 | H111 | 120.0° | 119.9° |
| C9 | C11 | C12 | H112 | 119.1° | 120.0° |
| C9 | C11 | H111 | H112 | 119.2° | 120.0° |
| C9 | C11 | C12 | C13 | 164.0° | 65.7° |
| C9 | C11 | C12 | C14 | 76.1° | 174.3° |
| C9 | C11 | C12 | H12 | 44.2° | 54.3° |
| C11 | C9 | C10 | O3 | 89.2° | 101.1° |
| C11 | C9 | C10 | N2 | 89.7° | 79.0° |
| C10 | C9 | C11 | C12 | 172.9° | 65.7° |
| C10 | C9 | C11 | H111 | 52.9° | 54.3° |
| C10 | C9 | C11 | H112 | 67.9° | 174.3° |
| C9 | C10 | O3 | N2 | 178.9° | 179.9° |
| C9 | C10 | N2 | C15 | 179.8° | 179.1° |
| C9 | C10 | N2 | HN2 | 0.3° | 0.9° |
| H9 | C9 | C11 | C12 | 62.6° | 54.3° |
| H9 | C9 | C11 | H111 | 177.4° | 174.3° |
| H9 | C9 | C11 | H112 | 56.6° | 65.7° |
| H9 | C9 | C10 | O3 | 149.3° | 138.9° |
| H9 | C9 | C10 | N2 | 31.7° | 41.0° |
| C12 | C11 | H111 | H112 | 119.2° | 120.0° |
| C11 | C12 | C13 | C14 | 120.6° | 120.0° |
| C11 | C12 | C13 | H12 | 119.1° | 120.0° |
| C11 | C12 | C14 | H12 | 119.1° | 120.0° |
| C11 | C12 | C13 | H131 | 111.2° | 174.1° |
| C11 | C12 | C13 | H132 | 128.8° | 65.9° |
| C11 | C12 | C13 | H133 | 8.8° | 54.1° |
| C11 | C12 | C14 | H141 | 49.2° | 60.0° |
| C11 | C12 | C14 | H142 | 169.2° | 60.0° |
| C11 | C12 | C14 | H143 | 70.8° | 180.0° |
| H111 | C11 | C12 | C13 | 44.0° | 174.4° |
| H111 | C11 | C12 | C14 | 163.9° | 54.4° |
| H111 | C11 | C12 | H12 | 75.8° | 65.7° |
| H112 | C11 | C12 | C13 | 76.9° | 54.3° |
| H112 | C11 | C12 | C14 | 43.0° | 65.7° |
| H112 | C11 | C12 | H12 | 163.4° | 174.3° |
| C13 | C12 | C14 | H12 | 119.8° | 119.9° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | H141 | 170.3° | 60.1° |
| C13 | C12 | C14 | H142 | 69.7° | 180.0° |
| C13 | C12 | C14 | H143 | 50.3° | 60.0° |
| C14 | C12 | C13 | H131 | 9.4° | 54.0° |
| C14 | C12 | C13 | H132 | 110.6° | 174.1° |
| C14 | C12 | C13 | H133 | 129.4° | 66.0° |
| C12 | C14 | H141 | H142 | 120.0° | 119.9° |
| C12 | C14 | H141 | H143 | 120.0° | 120.0° |
| C12 | C14 | H142 | H143 | 120.0° | 120.0° |
| H12 | C12 | C13 | H131 | 129.7° | 66.0° |
| H12 | C12 | C13 | H132 | 9.7° | 54.1° |
| H12 | C12 | C13 | H133 | 110.3° | 174.1° |
| H12 | C12 | C14 | H141 | 69.9° | 180.0° |
| H12 | C12 | C14 | H142 | 50.1° | 60.0° |
| H12 | C12 | C14 | H143 | 170.1° | 60.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.1° |
| O3 | C10 | N2 | C15 | 1.3° | 1.0° |
| O3 | C10 | N2 | HN2 | 178.7° | 179.0° |
| C10 | N2 | C15 | HN2 | 180.0° | 180.0° |
| C10 | N2 | C15 | C16 | 122.3° | 85.0° |
| C10 | N2 | C15 | C17 | 116.0° | 155.0° |
| C10 | N2 | C15 | H15 | 3.4° | 35.1° |
| N2 | C15 | C16 | C17 | 114.3° | 120.0° |
| N2 | C15 | C16 | H15 | 125.8° | 120.0° |
| N2 | C15 | C17 | H15 | 125.8° | 119.9° |
| N2 | C15 | C16 | O4 | 48.2° | 60.0° |
| N2 | C15 | C16 | C24 | 76.0° | 60.0° |
| N2 | C15 | C16 | H16 | 168.1° | 180.0° |
| N2 | C15 | C17 | C18 | 146.3° | 65.0° |
| N2 | C15 | C17 | H171 | 93.7° | 55.1° |
| N2 | C15 | C17 | H172 | 27.6° | 175.0° |
| HN2 | N2 | C15 | C16 | 57.7° | 95.0° |
| HN2 | N2 | C15 | C17 | 64.1° | 25.0° |
| HN2 | N2 | C15 | H15 | 176.6° | 145.0° |
| C16 | C15 | C17 | H15 | 119.5° | 120.1° |
| C15 | C16 | O4 | C24 | 125.6° | 120.0° |
| C15 | C16 | O4 | H16 | 118.3° | 120.0° |
| C15 | C16 | C24 | H16 | 117.9° | 120.0° |
| C15 | C16 | O4 | HO4 | 64.8° | 60.0° |
| C15 | C16 | C24 | H241 | 130.9° | 60.0° |
| C15 | C16 | C24 | H242 | 10.9° | 180.0° |
| C15 | C16 | C24 | H243 | 109.1° | 60.0° |
| C16 | C15 | C17 | C18 | 99.0° | 175.0° |
| C16 | C15 | C17 | H171 | 21.0° | 64.9° |
| C16 | C15 | C17 | H172 | 142.3° | 55.0° |
| C17 | C15 | C16 | O4 | 66.0° | 60.0° |
| C17 | C15 | C16 | C24 | 169.7° | 180.0° |
| C17 | C15 | C16 | H16 | 53.8° | 60.0° |
| C15 | C17 | C18 | H171 | 120.0° | 120.1° |
| C15 | C17 | C18 | H172 | 118.7° | 120.0° |
| C15 | C17 | H171 | H172 | 118.8° | 119.9° |
| C15 | C17 | C18 | C19 | 129.5° | 90.2° |
| C15 | C17 | C18 | C20 | 48.0° | 90.0° |
| H15 | C15 | C16 | O4 | 174.0° | 180.0° |
| H15 | C15 | C16 | C24 | 49.8° | 60.0° |
| H15 | C15 | C16 | H16 | 66.2° | 60.0° |
| H15 | C15 | C17 | C18 | 20.5° | 54.9° |
| H15 | C15 | C17 | H171 | 140.5° | 175.0° |
| H15 | C15 | C17 | H172 | 98.2° | 65.0° |
| O4 | C16 | C24 | H16 | 119.6° | 120.0° |
| O4 | C16 | C24 | H241 | 8.3° | 180.0° |
| O4 | C16 | C24 | H242 | 111.7° | 60.0° |
| O4 | C16 | C24 | H243 | 128.3° | 60.0° |
| C24 | C16 | O4 | HO4 | 169.6° | 60.0° |
| C16 | C24 | H241 | H242 | 120.0° | 120.0° |
| C16 | C24 | H241 | H243 | 120.0° | 120.0° |
| C16 | C24 | H242 | H243 | 120.0° | 120.0° |
| H16 | C16 | O4 | HO4 | 53.5° | 180.0° |
| H16 | C16 | C24 | H241 | 111.2° | 59.9° |
| H16 | C16 | C24 | H242 | 128.7° | 60.1° |
| H16 | C16 | C24 | H243 | 8.7° | 180.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.1° |
| C18 | C17 | H171 | H172 | 118.7° | 120.0° |
| C17 | C18 | C19 | C20 | 177.6° | 179.8° |
| C17 | C18 | C19 | C21 | 178.8° | 179.7° |
| C17 | C18 | C19 | H19 | 1.2° | 0.2° |
| C17 | C18 | C20 | C22 | 178.9° | 180.0° |
| C17 | C18 | C20 | H20 | 1.1° | 0.0° |
| H171 | C17 | C18 | C19 | 9.6° | 149.7° |
| H171 | C17 | C18 | C20 | 168.0° | 30.1° |
| H172 | C17 | C18 | C19 | 111.7° | 29.8° |
| H172 | C17 | C18 | C20 | 70.7° | 150.0° |
| C18 | C19 | C21 | H19 | 180.0° | 179.5° |
| C18 | C19 | C21 | C23 | 2.0° | 0.5° |
| C18 | C19 | C21 | H21 | 178.0° | 179.7° |
| C19 | C18 | C20 | C22 | 1.3° | 0.3° |
| C19 | C18 | C20 | H20 | 178.7° | 179.8° |
| C20 | C18 | C19 | C21 | 1.2° | 0.5° |
| C20 | C18 | C19 | H19 | 178.8° | 179.9° |
| C18 | C20 | C22 | C23 | 2.2° | 0.0° |
| C18 | C20 | C22 | H20 | 180.0° | 180.0° |
| C18 | C20 | C22 | H22 | 177.8° | 179.9° |
| C19 | C21 | C23 | H21 | 180.0° | 179.8° |
| C19 | C21 | C23 | O5 | 177.6° | 179.8° |
| C19 | C21 | C23 | C22 | 2.8° | 0.3° |
| H19 | C19 | C21 | C23 | 178.0° | 179.9° |
| H19 | C19 | C21 | H21 | 2.0° | 0.2° |
| C21 | C23 | O5 | C22 | 174.8° | 180.0° |
| C21 | C23 | O5 | HO5 | 114.1° | 90.0° |
| C21 | C23 | C22 | C20 | 3.0° | 0.0° |
| C21 | C23 | C22 | H22 | 177.0° | 179.9° |
| H21 | C21 | C23 | O5 | 2.4° | 0.0° |
| H21 | C21 | C23 | C22 | 177.2° | 179.9° |
| O5 | C23 | C22 | C20 | 177.8° | 180.0° |
| O5 | C23 | C22 | H22 | 2.1° | 0.0° |
| C22 | C23 | O5 | HO5 | 60.7° | 90.0° |
| C23 | C22 | C20 | H22 | 180.0° | 180.0° |
| C23 | C22 | C20 | H20 | 177.8° | 180.0° |
| H22 | C22 | C20 | H20 | 2.2° | 0.0° |
