QGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.34Å | 1.35Å | Aromatic |
| C2 | C5 | sing | 1.47Å | 1.48Å | Aromatic |
| C1 | N3 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C6 | sing | 1.46Å | 1.47Å | |
| C4 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
| C6 | C13 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| O31 | C13 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C32 | sing | 1.47Å | 1.50Å | |
| C13 | C11 | sing | 1.51Å | 1.53Å | |
| O34 | C32 | doub | 1.21Å | 1.31Å | |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | O33 | sing | 1.35Å | 1.22Å | |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C25 | sing | 1.48Å | 1.49Å | |
| C9 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C14 | sing | 1.51Å | 1.55Å | |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C21 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C27 | sing | 1.52Å | 1.51Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.55Å | 1.56Å | |
| C27 | N30 | sing | 1.47Å | 1.48Å | |
| C14 | C20 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | O29 | sing | 1.36Å | 1.39Å | |
| C28 | O29 | sing | 1.44Å | 1.46Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| C10 | H24 | sing | 1.08Å | 1.08Å | |
| N30 | H25 | sing | 1.01Å | 1.00Å | |
| N30 | H26 | sing | 1.01Å | 1.00Å | |
| O31 | H28 | sing | 0.97Å | 0.95Å | |
| O33 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C5 | 106.1° | 106.9° |
| C2 | C1 | N3 | 110.3° | 109.9° |
| C2 | C1 | H1 | 124.8° | 125.0° |
| C1 | C2 | H2 | 126.9° | 126.6° |
| C2 | C5 | C18 | 130.6° | 133.9° |
| C2 | C5 | C4 | 105.5° | 106.0° |
| C5 | C2 | H2 | 126.9° | 126.5° |
| C1 | N3 | C4 | 111.0° | 109.9° |
| C1 | N3 | C6 | 119.8° | 125.0° |
| N3 | C1 | H1 | 124.8° | 125.1° |
| C18 | C5 | C4 | 123.8° | 120.1° |
| C5 | C18 | C17 | 116.6° | 120.0° |
| C5 | C18 | H8 | 121.7° | 120.0° |
| C5 | C4 | N3 | 106.9° | 107.3° |
| C5 | C4 | C15 | 118.7° | 119.3° |
| C18 | C17 | C16 | 121.4° | 120.6° |
| C18 | C17 | H7 | 119.3° | 119.7° |
| C17 | C18 | H8 | 121.7° | 119.9° |
| C4 | N3 | C6 | 129.0° | 125.1° |
| N3 | C4 | C15 | 134.4° | 133.4° |
| N3 | C6 | C13 | 110.8° | 109.5° |
| N3 | C6 | H21 | 109.2° | 109.5° |
| N3 | C6 | H22 | 109.1° | 109.5° |
| C4 | C15 | C16 | 117.9° | 119.6° |
| C4 | C15 | C32 | 126.2° | 120.2° |
| C6 | C13 | O31 | 111.2° | 109.5° |
| C6 | C13 | C11 | 111.6° | 109.5° |
| C6 | C13 | H4 | 106.8° | 109.5° |
| C13 | C6 | H21 | 109.1° | 109.5° |
| C13 | C6 | H22 | 109.2° | 109.5° |
| C17 | C16 | C15 | 121.5° | 120.5° |
| C17 | C16 | H6 | 119.2° | 119.8° |
| C16 | C17 | H7 | 119.3° | 119.7° |
| O31 | C13 | C11 | 111.8° | 109.5° |
| O31 | C13 | H4 | 108.2° | 109.5° |
| C13 | O31 | H28 | 109.5° | 114.0° |
| C16 | C15 | C32 | 115.7° | 120.2° |
| C15 | C16 | H6 | 119.2° | 119.7° |
| C15 | C32 | O34 | 115.5° | 120.0° |
| C15 | C32 | O33 | 121.6° | 120.0° |
| C13 | C11 | C10 | 120.8° | 120.0° |
| C13 | C11 | C12 | 120.4° | 119.9° |
| C11 | C13 | H4 | 107.1° | 109.5° |
| O34 | C32 | O33 | 122.9° | 120.0° |
| C10 | C11 | C12 | 118.9° | 120.1° |
| C11 | C10 | C9 | 122.0° | 119.9° |
| C11 | C10 | H24 | 119.0° | 120.0° |
| C11 | C12 | C7 | 120.2° | 120.2° |
| C11 | C12 | H3 | 119.9° | 119.9° |
| C32 | O33 | H29 | 109.5° | 117.0° |
| C10 | C9 | C25 | 120.3° | 120.2° |
| C10 | C9 | C8 | 119.0° | 119.7° |
| C9 | C10 | H24 | 119.0° | 120.0° |
| C12 | C7 | C8 | 120.4° | 120.1° |
| C12 | C7 | C14 | 117.9° | 119.9° |
| C7 | C12 | H3 | 119.9° | 119.9° |
| C25 | C9 | C8 | 120.7° | 120.1° |
| C9 | C25 | C26 | 121.4° | 120.2° |
| C9 | C25 | C24 | 118.3° | 120.2° |
| C9 | C8 | C7 | 119.6° | 119.9° |
| C9 | C8 | H23 | 120.2° | 120.0° |
| C8 | C7 | C14 | 121.5° | 120.0° |
| C7 | C8 | H23 | 120.2° | 120.1° |
| C7 | C14 | C19 | 112.4° | 109.4° |
| C7 | C14 | C20 | 109.3° | 109.5° |
| C7 | C14 | H5 | 107.3° | 109.5° |
| C26 | C25 | C24 | 120.1° | 119.5° |
| C25 | C26 | C21 | 118.1° | 119.9° |
| C25 | C26 | H17 | 121.0° | 120.1° |
| C25 | C24 | C23 | 120.6° | 120.2° |
| C25 | C24 | H16 | 119.7° | 119.9° |
| C26 | C21 | C27 | 130.7° | 132.1° |
| C26 | C21 | C22 | 121.8° | 120.9° |
| C21 | C26 | H17 | 120.9° | 120.0° |
| C19 | C14 | C20 | 113.1° | 109.4° |
| C19 | C14 | H5 | 107.3° | 109.5° |
| C14 | C19 | H9 | 109.5° | 109.5° |
| C14 | C19 | H10 | 109.5° | 109.5° |
| C14 | C19 | H11 | 109.5° | 109.5° |
| C24 | C23 | C22 | 118.0° | 120.4° |
| C24 | C23 | H15 | 121.0° | 119.8° |
| C23 | C24 | H16 | 119.7° | 119.9° |
| C27 | C21 | C22 | 107.5° | 107.0° |
| C21 | C27 | C28 | 101.7° | 101.9° |
| C21 | C27 | N30 | 109.7° | 111.0° |
| C21 | C27 | H18 | 111.6° | 111.0° |
| C21 | C22 | C23 | 121.4° | 119.1° |
| C21 | C22 | O29 | 116.1° | 111.2° |
| C28 | C27 | N30 | 110.6° | 110.9° |
| C27 | C28 | O29 | 108.6° | 102.8° |
| C28 | C27 | H18 | 110.9° | 110.9° |
| C27 | C28 | H19 | 109.7° | 110.7° |
| C27 | C28 | H20 | 109.7° | 110.7° |
| N30 | C27 | H18 | 112.0° | 110.9° |
| C27 | N30 | H25 | 109.5° | 111.0° |
| C27 | N30 | H26 | 109.5° | 111.0° |
| C20 | C14 | H5 | 107.2° | 109.5° |
| C14 | C20 | H12 | 109.5° | 109.4° |
| C14 | C20 | H13 | 109.5° | 109.5° |
| C14 | C20 | H14 | 109.5° | 109.5° |
| C23 | C22 | O29 | 122.5° | 129.7° |
| C22 | C23 | H15 | 121.0° | 119.8° |
| C22 | O29 | C28 | 104.7° | 109.3° |
| O29 | C28 | H19 | 109.7° | 110.8° |
| O29 | C28 | H20 | 109.7° | 110.7° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H11 | 109.4° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H12 | C20 | H13 | 109.4° | 109.5° |
| H12 | C20 | H14 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H19 | C28 | H20 | 109.4° | 110.8° |
| H21 | C6 | H22 | 109.5° | 109.5° |
| H25 | N30 | H26 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C5 | H2 | 180.0° | 180.0° |
| C2 | C1 | N3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C5 | C18 | 179.4° | 180.0° |
| C1 | C2 | C5 | C4 | 0.7° | 0.3° |
| C2 | C1 | N3 | C4 | 1.1° | 0.3° |
| C2 | C1 | N3 | C6 | 176.6° | 179.8° |
| C5 | C2 | C1 | N3 | 1.1° | 0.0° |
| C2 | C5 | C18 | C4 | 179.9° | 179.7° |
| C2 | C5 | C18 | C17 | 178.8° | 179.2° |
| C2 | C5 | C4 | N3 | 0.0° | 0.4° |
| C2 | C5 | C4 | C15 | 179.6° | 179.9° |
| C5 | C2 | C1 | H1 | 178.9° | 179.7° |
| C2 | C5 | C18 | H8 | 1.2° | 0.1° |
| C1 | N3 | C4 | C5 | 0.6° | 0.4° |
| C1 | N3 | C4 | C6 | 175.0° | 180.0° |
| C1 | N3 | C4 | C15 | 178.8° | 180.0° |
| C1 | N3 | C6 | C13 | 110.4° | 102.7° |
| N3 | C1 | C2 | H2 | 178.9° | 180.0° |
| C1 | N3 | C6 | H21 | 9.8° | 137.3° |
| C1 | N3 | C6 | H22 | 129.4° | 17.3° |
| C5 | C18 | C17 | H8 | 180.0° | 179.1° |
| C18 | C5 | C4 | N3 | 180.0° | 179.8° |
| C18 | C5 | C4 | C15 | 0.5° | 0.2° |
| C5 | C18 | C17 | C16 | 2.5° | 0.9° |
| C18 | C5 | C2 | H2 | 0.6° | 0.0° |
| C5 | C18 | C17 | H7 | 177.5° | 179.8° |
| C4 | C5 | C18 | C17 | 1.1° | 0.5° |
| C5 | C4 | N3 | C15 | 179.4° | 179.6° |
| C5 | C4 | N3 | C6 | 175.6° | 179.6° |
| C5 | C4 | C15 | C16 | 0.8° | 0.4° |
| C5 | C4 | C15 | C32 | 175.5° | 179.6° |
| C4 | C5 | C2 | H2 | 179.3° | 179.7° |
| C4 | C5 | C18 | H8 | 178.9° | 179.6° |
| C18 | C17 | C16 | H7 | 180.0° | 179.2° |
| C18 | C17 | C16 | C15 | 2.3° | 0.7° |
| C18 | C17 | C16 | H6 | 177.8° | 179.3° |
| C4 | N3 | C6 | C13 | 64.2° | 77.3° |
| N3 | C4 | C15 | C16 | 179.8° | 180.0° |
| N3 | C4 | C15 | C32 | 5.1° | 0.1° |
| C4 | N3 | C1 | H1 | 178.9° | 180.0° |
| C4 | N3 | C6 | H21 | 175.6° | 42.7° |
| C4 | N3 | C6 | H22 | 56.0° | 162.7° |
| C6 | N3 | C4 | C15 | 3.8° | 0.0° |
| N3 | C6 | C13 | H21 | 120.2° | 120.0° |
| N3 | C6 | C13 | H22 | 120.2° | 120.0° |
| N3 | C6 | C13 | O31 | 62.7° | 65.0° |
| N3 | C6 | C13 | C11 | 171.7° | 175.0° |
| C6 | N3 | C1 | H1 | 3.4° | 0.1° |
| N3 | C6 | C13 | H4 | 55.1° | 55.0° |
| N3 | C6 | H21 | H22 | 119.4° | 120.0° |
| C4 | C15 | C16 | C17 | 0.6° | 0.0° |
| C4 | C15 | C16 | C32 | 175.3° | 180.0° |
| C4 | C15 | C32 | O34 | 46.1° | 57.1° |
| C4 | C15 | C32 | O33 | 136.0° | 122.9° |
| C4 | C15 | C16 | H6 | 179.5° | 180.0° |
| C6 | C13 | O31 | C11 | 125.4° | 120.0° |
| C6 | C13 | O31 | H4 | 117.0° | 120.0° |
| C6 | C13 | C11 | H4 | 116.5° | 120.0° |
| C6 | C13 | C11 | C10 | 49.0° | 80.0° |
| C6 | C13 | C11 | C12 | 131.5° | 99.7° |
| C13 | C6 | H21 | H22 | 119.4° | 120.0° |
| C6 | C13 | O31 | H28 | 180.0° | 60.0° |
| C17 | C16 | C15 | H6 | 180.0° | 180.0° |
| C17 | C16 | C15 | C32 | 174.7° | 180.0° |
| C16 | C17 | C18 | H8 | 177.5° | 180.0° |
| O31 | C13 | C11 | H4 | 118.3° | 120.0° |
| O31 | C13 | C11 | C10 | 174.2° | 40.0° |
| O31 | C13 | C11 | C12 | 6.3° | 140.2° |
| O31 | C13 | C6 | H21 | 57.5° | 175.0° |
| O31 | C13 | C6 | H22 | 177.1° | 55.0° |
| C16 | C15 | C32 | O34 | 128.7° | 122.9° |
| C16 | C15 | C32 | O33 | 49.1° | 57.1° |
| C15 | C16 | C17 | H7 | 177.7° | 179.9° |
| C15 | C32 | O34 | O33 | 177.8° | 180.0° |
| C32 | C15 | C16 | H6 | 5.2° | 0.0° |
| C15 | C32 | O33 | H29 | 177.7° | 180.0° |
| C13 | C11 | C10 | C12 | 179.5° | 179.7° |
| C13 | C11 | C10 | C9 | 179.8° | 179.8° |
| C13 | C11 | C12 | C7 | 179.8° | 179.7° |
| C13 | C11 | C12 | H3 | 0.2° | 0.2° |
| C11 | C13 | C6 | H21 | 68.1° | 55.0° |
| C11 | C13 | C6 | H22 | 51.5° | 65.0° |
| C13 | C11 | C10 | H24 | 0.2° | 0.3° |
| C11 | C13 | O31 | H28 | 54.6° | 60.0° |
| O34 | C32 | O33 | H29 | 0.0° | 0.0° |
| C11 | C10 | C9 | H24 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 0.3° | 0.0° |
| C11 | C10 | C9 | C25 | 179.9° | 180.0° |
| C11 | C10 | C9 | C8 | 1.8° | 0.1° |
| C10 | C11 | C12 | H3 | 179.7° | 180.0° |
| C10 | C11 | C13 | H4 | 67.5° | 160.0° |
| C12 | C11 | C10 | C9 | 0.7° | 0.0° |
| C11 | C12 | C7 | H3 | 180.0° | 179.9° |
| C11 | C12 | C7 | C8 | 1.1° | 0.0° |
| C11 | C12 | C7 | C14 | 177.0° | 180.0° |
| C12 | C11 | C13 | H4 | 112.0° | 20.2° |
| C12 | C11 | C10 | H24 | 179.3° | 179.9° |
| C10 | C9 | C25 | C8 | 178.0° | 180.0° |
| C10 | C9 | C8 | C7 | 2.6° | 0.0° |
| C10 | C9 | C25 | C26 | 149.7° | 0.1° |
| C10 | C9 | C25 | C24 | 35.5° | 179.5° |
| C10 | C9 | C8 | H23 | 177.4° | 180.0° |
| C12 | C7 | C8 | C9 | 2.2° | 0.0° |
| C12 | C7 | C8 | C14 | 175.8° | 180.0° |
| C12 | C7 | C14 | C19 | 139.8° | 120.0° |
| C12 | C7 | C14 | C20 | 93.9° | 120.0° |
| C12 | C7 | C14 | H5 | 22.1° | 0.0° |
| C12 | C7 | C8 | H23 | 177.8° | 179.9° |
| C25 | C9 | C8 | C7 | 179.4° | 180.0° |
| C9 | C25 | C26 | C24 | 174.7° | 179.5° |
| C9 | C25 | C26 | C21 | 177.6° | 180.0° |
| C9 | C25 | C24 | C23 | 178.6° | 179.9° |
| C9 | C25 | C24 | H16 | 1.4° | 0.1° |
| C9 | C25 | C26 | H17 | 2.4° | 0.6° |
| C25 | C9 | C8 | H23 | 0.6° | 0.1° |
| C25 | C9 | C10 | H24 | 0.1° | 0.1° |
| C9 | C8 | C7 | H23 | 180.0° | 179.9° |
| C9 | C8 | C7 | C14 | 178.0° | 180.0° |
| C8 | C9 | C25 | C26 | 32.3° | 180.0° |
| C8 | C9 | C25 | C24 | 142.5° | 0.5° |
| C8 | C9 | C10 | H24 | 178.1° | 180.0° |
| C8 | C7 | C14 | C19 | 44.3° | 60.0° |
| C8 | C7 | C14 | C20 | 82.0° | 60.0° |
| C8 | C7 | C12 | H3 | 178.9° | 180.0° |
| C8 | C7 | C14 | H5 | 162.0° | 180.0° |
| C7 | C14 | C19 | C20 | 124.3° | 120.0° |
| C7 | C14 | C19 | H5 | 117.7° | 120.0° |
| C7 | C14 | C20 | H5 | 116.0° | 120.0° |
| C14 | C7 | C12 | H3 | 2.9° | 0.0° |
| C7 | C14 | C19 | H9 | 180.0° | 180.0° |
| C7 | C14 | C19 | H10 | 60.0° | 60.0° |
| C7 | C14 | C19 | H11 | 60.0° | 60.0° |
| C7 | C14 | C20 | H12 | 180.0° | 60.0° |
| C7 | C14 | C20 | H13 | 60.0° | 180.0° |
| C7 | C14 | C20 | H14 | 60.0° | 59.9° |
| C14 | C7 | C8 | H23 | 2.0° | 0.0° |
| C25 | C26 | C21 | H17 | 180.0° | 179.5° |
| C26 | C25 | C24 | C23 | 3.7° | 0.4° |
| C25 | C26 | C21 | C27 | 179.9° | 179.9° |
| C25 | C26 | C21 | C22 | 1.7° | 0.2° |
| C26 | C25 | C24 | H16 | 176.3° | 179.6° |
| C24 | C25 | C26 | C21 | 2.9° | 0.5° |
| C25 | C24 | C23 | H16 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 3.2° | 0.0° |
| C25 | C24 | C23 | H15 | 176.8° | 180.0° |
| C24 | C25 | C26 | H17 | 177.1° | 180.0° |
| C26 | C21 | C27 | C22 | 178.5° | 179.7° |
| C26 | C21 | C27 | C28 | 174.4° | 164.0° |
| C26 | C21 | C27 | N30 | 68.6° | 45.9° |
| C26 | C21 | C22 | C23 | 1.3° | 0.2° |
| C26 | C21 | C22 | O29 | 179.0° | 179.6° |
| C26 | C21 | C27 | H18 | 56.1° | 77.9° |
| C19 | C14 | C20 | H5 | 118.0° | 120.0° |
| C14 | C19 | H9 | H10 | 120.0° | 120.0° |
| C14 | C19 | H9 | H11 | 120.0° | 120.1° |
| C14 | C19 | H10 | H11 | 120.0° | 120.0° |
| C19 | C14 | C20 | H12 | 54.0° | 180.0° |
| C19 | C14 | C20 | H13 | 66.0° | 60.0° |
| C19 | C14 | C20 | H14 | 174.0° | 60.0° |
| C24 | C23 | C22 | C21 | 2.1° | 0.3° |
| C24 | C23 | C22 | H15 | 180.0° | 180.0° |
| C24 | C23 | C22 | O29 | 178.4° | 179.5° |
| C21 | C27 | C28 | N30 | 116.4° | 118.2° |
| C21 | C27 | C28 | H18 | 118.7° | 118.2° |
| C21 | C27 | N30 | H18 | 124.5° | 123.8° |
| C27 | C21 | C22 | C23 | 180.0° | 179.5° |
| C27 | C21 | C22 | O29 | 0.3° | 0.7° |
| C21 | C27 | C28 | O29 | 11.4° | 25.4° |
| C27 | C21 | C26 | H17 | 0.1° | 0.7° |
| C21 | C27 | C28 | H19 | 131.3° | 92.9° |
| C21 | C27 | C28 | H20 | 108.5° | 143.7° |
| C21 | C27 | N30 | H25 | 180.0° | 180.0° |
| C21 | C27 | N30 | H26 | 60.0° | 56.1° |
| C22 | C21 | C27 | C28 | 7.1° | 15.7° |
| C22 | C21 | C27 | N30 | 110.0° | 133.9° |
| C21 | C22 | C23 | O29 | 179.6° | 179.8° |
| C21 | C22 | O29 | C28 | 7.2° | 18.7° |
| C21 | C22 | C23 | H15 | 177.9° | 179.7° |
| C22 | C21 | C26 | H17 | 178.3° | 179.6° |
| C22 | C21 | C27 | H18 | 125.3° | 102.4° |
| C28 | C27 | N30 | H18 | 124.2° | 123.7° |
| C27 | C28 | O29 | C22 | 11.4° | 27.7° |
| C27 | C28 | O29 | H19 | 119.9° | 118.3° |
| C27 | C28 | O29 | H20 | 119.9° | 118.3° |
| C27 | C28 | H19 | H20 | 120.4° | 123.3° |
| C28 | C27 | N30 | H25 | 68.7° | 67.5° |
| C28 | C27 | N30 | H26 | 51.4° | 56.5° |
| N30 | C27 | C28 | O29 | 105.0° | 143.6° |
| N30 | C27 | C28 | H19 | 14.9° | 25.2° |
| N30 | C27 | C28 | H20 | 135.1° | 98.1° |
| C27 | N30 | H25 | H26 | 120.0° | 123.9° |
| C20 | C14 | C19 | H9 | 55.7° | 60.0° |
| C20 | C14 | C19 | H10 | 175.7° | 180.0° |
| C20 | C14 | C19 | H11 | 64.3° | 60.0° |
| C14 | C20 | H12 | H13 | 120.0° | 120.0° |
| C14 | C20 | H12 | H14 | 120.0° | 120.0° |
| C14 | C20 | H13 | H14 | 120.0° | 120.0° |
| C23 | C22 | O29 | C28 | 172.5° | 161.5° |
| C22 | C23 | C24 | H16 | 176.8° | 180.0° |
| O29 | C22 | C23 | H15 | 1.6° | 0.5° |
| C22 | O29 | C28 | H19 | 131.3° | 90.6° |
| C22 | O29 | C28 | H20 | 108.5° | 146.0° |
| O29 | C28 | C27 | H18 | 130.1° | 92.7° |
| O29 | C28 | H19 | H20 | 120.4° | 123.3° |
| H1 | C1 | C2 | H2 | 1.1° | 0.3° |
| H4 | C13 | C6 | H21 | 175.3° | 65.0° |
| H4 | C13 | C6 | H22 | 65.1° | 175.1° |
| H4 | C13 | O31 | H28 | 63.1° | 180.0° |
| H5 | C14 | C19 | H9 | 62.3° | 60.0° |
| H5 | C14 | C19 | H10 | 57.7° | 60.0° |
| H5 | C14 | C19 | H11 | 177.7° | 180.0° |
| H5 | C14 | C20 | H12 | 64.1° | 60.0° |
| H5 | C14 | C20 | H13 | 175.9° | 60.0° |
| H5 | C14 | C20 | H14 | 56.0° | 180.0° |
| H6 | C16 | C17 | H7 | 2.3° | 0.1° |
| H7 | C17 | C18 | H8 | 2.5° | 0.7° |
| H9 | C19 | H10 | H11 | 120.0° | 120.0° |
| H12 | C20 | H13 | H14 | 120.0° | 120.0° |
| H15 | C23 | C24 | H16 | 3.2° | 0.0° |
| H18 | C27 | C28 | H19 | 110.0° | 148.9° |
| H18 | C27 | C28 | H20 | 10.2° | 25.6° |
| H18 | C27 | N30 | H25 | 55.5° | 56.2° |
| H18 | C27 | N30 | H26 | 175.6° | 179.8° |
