QOB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C40 | sing | 1.51Å | 1.38Å | |
| C41 | C40 | sing | 1.53Å | 1.51Å | |
| C41 | C2 | sing | 1.53Å | 1.50Å | |
| O35 | C34 | sing | 1.43Å | 1.39Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C12 | sing | 1.51Å | 1.50Å | |
| N13 | C12 | sing | 1.35Å | 1.32Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| C12 | O37 | doub | 1.21Å | 1.21Å | |
| C34 | C14 | sing | 1.53Å | 1.48Å | |
| C34 | C36 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C15 | O33 | doub | 1.21Å | 1.20Å | |
| C15 | N16 | sing | 1.35Å | 1.31Å | |
| N16 | C17 | sing | 1.47Å | 1.44Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C17 | C31 | sing | 1.51Å | 1.35Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| O32 | C31 | doub | 1.21Å | 1.21Å | |
| O20 | C19 | sing | 1.43Å | 1.37Å | |
| C31 | N30 | sing | 1.38Å | 1.35Å | |
| C19 | C21 | sing | 1.53Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| N30 | C28 | sing | 1.49Å | 1.44Å | |
| C22 | N23 | sing | 1.48Å | 1.44Å | |
| N23 | C24 | sing | 1.37Å | 1.37Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.49Å | |
| C26 | C24 | sing | 1.51Å | 1.36Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C24 | O25 | doub | 1.21Å | 1.22Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| N30 | H19 | sing | 0.97Å | 1.00Å | |
| N23 | H20 | sing | 0.97Å | 1.00Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| O20 | H22 | sing | 0.97Å | 0.95Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| N16 | H25 | sing | 0.97Å | 1.00Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| O35 | H31 | sing | 0.97Å | 0.95Å | |
| N13 | H32 | sing | 0.97Å | 1.00Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 119.7° | 120.0° |
| C7 | C6 | C5 | 119.9° | 120.0° |
| C7 | C6 | H3 | 120.1° | 120.0° |
| C6 | C7 | H4 | 120.2° | 120.0° |
| C7 | C8 | C3 | 119.9° | 120.0° |
| C8 | C7 | H4 | 120.1° | 120.0° |
| C7 | C8 | H5 | 120.1° | 120.0° |
| C6 | C5 | C4 | 120.1° | 120.0° |
| C6 | C5 | H2 | 119.9° | 120.0° |
| C5 | C6 | H3 | 120.0° | 119.9° |
| C8 | C3 | C4 | 120.0° | 120.0° |
| C8 | C3 | C40 | 119.3° | 120.0° |
| C3 | C8 | H5 | 120.0° | 120.0° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | H1 | 119.8° | 120.0° |
| C4 | C5 | H2 | 120.0° | 120.0° |
| C4 | C3 | C40 | 120.8° | 120.0° |
| C3 | C4 | H1 | 119.7° | 120.0° |
| C3 | C40 | C41 | 113.8° | 109.4° |
| C3 | C40 | H39 | 108.4° | 109.5° |
| C3 | C40 | H40 | 108.4° | 109.6° |
| C40 | C41 | C2 | 114.9° | 109.5° |
| C40 | C41 | H37 | 108.1° | 109.5° |
| C40 | C41 | H38 | 108.1° | 109.5° |
| C41 | C40 | H39 | 108.4° | 109.4° |
| C41 | C40 | H40 | 108.4° | 109.5° |
| C41 | C2 | C1 | 115.0° | 109.5° |
| C41 | C2 | H35 | 108.1° | 109.4° |
| C41 | C2 | H36 | 108.1° | 109.4° |
| C2 | C41 | H37 | 108.1° | 109.5° |
| C2 | C41 | H38 | 108.1° | 109.5° |
| O35 | C34 | C14 | 106.3° | 109.5° |
| O35 | C34 | C36 | 108.4° | 109.5° |
| O35 | C34 | H27 | 111.8° | 109.5° |
| C34 | O35 | H31 | 109.5° | 114.0° |
| C2 | C1 | C12 | 112.8° | 109.4° |
| C2 | C1 | H33 | 108.6° | 109.5° |
| C2 | C1 | H34 | 108.6° | 109.5° |
| C1 | C2 | H35 | 108.0° | 109.5° |
| C1 | C2 | H36 | 108.1° | 109.5° |
| C1 | C12 | N13 | 116.5° | 119.9° |
| C1 | C12 | O37 | 119.3° | 120.0° |
| C12 | C1 | H33 | 108.6° | 109.5° |
| C12 | C1 | H34 | 108.7° | 109.5° |
| C12 | N13 | C14 | 124.7° | 119.9° |
| N13 | C12 | O37 | 124.2° | 120.0° |
| C12 | N13 | H32 | 117.6° | 120.1° |
| N13 | C14 | C34 | 103.6° | 109.4° |
| N13 | C14 | C15 | 109.1° | 109.4° |
| N13 | C14 | H26 | 112.7° | 109.5° |
| C14 | N13 | H32 | 117.6° | 120.0° |
| C14 | C34 | C36 | 109.6° | 109.4° |
| C34 | C14 | C15 | 107.0° | 109.5° |
| C34 | C14 | H26 | 112.0° | 109.5° |
| C14 | C34 | H27 | 110.4° | 109.5° |
| C36 | C34 | H27 | 110.2° | 109.5° |
| C34 | C36 | H28 | 109.5° | 109.5° |
| C34 | C36 | H29 | 109.4° | 109.5° |
| C34 | C36 | H30 | 109.4° | 109.5° |
| C14 | C15 | O33 | 118.8° | 120.0° |
| C14 | C15 | N16 | 117.6° | 120.0° |
| C15 | C14 | H26 | 112.0° | 109.5° |
| O33 | C15 | N16 | 123.6° | 120.0° |
| C15 | N16 | C17 | 119.8° | 120.0° |
| C15 | N16 | H25 | 120.1° | 120.0° |
| N16 | C17 | C18 | 107.7° | 109.5° |
| N16 | C17 | C31 | 109.3° | 109.4° |
| N16 | C17 | H6 | 110.1° | 109.5° |
| C17 | N16 | H25 | 120.1° | 120.0° |
| C18 | C17 | C31 | 108.7° | 109.4° |
| C17 | C18 | C19 | 110.9° | 109.4° |
| C18 | C17 | H6 | 109.4° | 109.5° |
| C17 | C18 | H23 | 109.1° | 109.4° |
| C17 | C18 | H24 | 109.1° | 109.5° |
| C17 | C31 | O32 | 121.7° | 120.9° |
| C17 | C31 | N30 | 118.9° | 118.2° |
| C31 | C17 | H6 | 111.5° | 109.5° |
| C18 | C19 | O20 | 107.7° | 109.4° |
| C18 | C19 | C21 | 108.7° | 109.4° |
| C18 | C19 | H21 | 110.7° | 109.5° |
| C19 | C18 | H23 | 109.1° | 109.5° |
| C19 | C18 | H24 | 109.1° | 109.5° |
| O32 | C31 | N30 | 119.4° | 120.9° |
| O20 | C19 | C21 | 105.8° | 109.5° |
| O20 | C19 | H21 | 112.6° | 109.5° |
| C19 | O20 | H22 | 109.5° | 113.9° |
| C31 | N30 | C28 | 121.2° | 113.2° |
| C31 | N30 | H19 | 119.4° | 123.4° |
| C19 | C21 | C22 | 111.0° | 109.4° |
| C19 | C21 | H7 | 109.1° | 109.5° |
| C19 | C21 | H8 | 109.1° | 109.5° |
| C21 | C19 | H21 | 111.1° | 109.5° |
| C21 | C22 | N23 | 108.4° | 108.6° |
| C22 | C21 | H7 | 109.1° | 109.5° |
| C22 | C21 | H8 | 109.1° | 109.4° |
| C21 | C22 | H9 | 109.7° | 109.6° |
| C21 | C22 | H10 | 109.7° | 109.6° |
| N30 | C28 | C29 | 109.8° | 109.7° |
| N30 | C28 | C27 | 109.9° | 108.2° |
| N30 | C28 | H13 | 109.9° | 109.7° |
| C28 | N30 | H19 | 119.4° | 123.4° |
| C22 | N23 | C24 | 123.5° | 115.3° |
| N23 | C22 | H9 | 109.7° | 109.6° |
| N23 | C22 | H10 | 109.7° | 109.6° |
| C22 | N23 | H20 | 118.2° | 122.4° |
| N23 | C24 | C26 | 114.8° | 118.7° |
| N23 | C24 | O25 | 122.6° | 120.6° |
| C24 | N23 | H20 | 118.3° | 122.3° |
| C29 | C28 | C27 | 109.0° | 109.7° |
| C29 | C28 | H13 | 109.1° | 109.7° |
| C28 | C29 | H16 | 109.5° | 109.5° |
| C28 | C29 | H17 | 109.5° | 109.5° |
| C28 | C29 | H18 | 109.5° | 109.4° |
| C28 | C27 | C26 | 108.8° | 109.5° |
| C27 | C28 | H13 | 109.2° | 109.8° |
| C28 | C27 | H14 | 109.6° | 109.5° |
| C28 | C27 | H15 | 109.6° | 109.4° |
| C24 | C26 | C27 | 114.1° | 109.5° |
| C26 | C24 | O25 | 122.6° | 120.6° |
| C24 | C26 | H11 | 108.3° | 109.5° |
| C24 | C26 | H12 | 108.3° | 109.5° |
| C27 | C26 | H11 | 108.3° | 109.5° |
| C27 | C26 | H12 | 108.3° | 109.5° |
| C26 | C27 | H14 | 109.7° | 109.5° |
| C26 | C27 | H15 | 109.7° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.8° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H16 | C29 | H18 | 109.5° | 109.4° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.4° | 109.5° |
| H28 | C36 | H29 | 109.5° | 109.5° |
| H28 | C36 | H30 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.4° |
| H33 | C1 | H34 | 109.4° | 109.5° |
| H35 | C2 | H36 | 109.5° | 109.5° |
| H37 | C41 | H38 | 109.5° | 109.4° |
| H39 | C40 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.0° | 0.3° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H2 | 179.9° | 179.9° |
| C6 | C7 | C8 | H5 | 179.9° | 179.9° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C7 | C8 | C3 | H5 | 180.0° | 179.8° |
| C7 | C8 | C3 | C4 | 0.6° | 0.6° |
| C7 | C8 | C3 | C40 | 179.6° | 180.0° |
| C8 | C7 | C6 | H3 | 179.7° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.7° | 0.3° |
| C6 | C5 | C4 | H1 | 179.3° | 180.0° |
| C5 | C6 | C7 | H4 | 179.7° | 179.9° |
| C8 | C3 | C4 | C5 | 0.9° | 0.6° |
| C8 | C3 | C4 | C40 | 179.0° | 179.4° |
| C8 | C3 | C40 | C41 | 108.1° | 90.0° |
| C8 | C3 | C4 | H1 | 179.1° | 179.7° |
| C3 | C8 | C7 | H4 | 180.0° | 179.8° |
| C8 | C3 | C40 | H39 | 131.3° | 29.9° |
| C8 | C3 | C40 | H40 | 12.6° | 150.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C40 | 179.9° | 180.0° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C4 | C3 | C40 | C41 | 70.9° | 90.6° |
| C3 | C4 | C5 | H2 | 179.3° | 179.8° |
| C4 | C3 | C8 | H5 | 179.4° | 179.6° |
| C4 | C3 | C40 | H39 | 49.7° | 149.5° |
| C4 | C3 | C40 | H40 | 168.4° | 29.4° |
| C3 | C40 | C41 | H39 | 120.6° | 120.0° |
| C3 | C40 | C41 | H40 | 120.7° | 120.1° |
| C3 | C40 | C41 | C2 | 179.2° | 180.0° |
| C40 | C3 | C4 | H1 | 0.0° | 0.3° |
| C40 | C3 | C8 | H5 | 0.4° | 0.3° |
| C3 | C40 | C41 | H37 | 58.4° | 60.0° |
| C3 | C40 | C41 | H38 | 60.1° | 60.0° |
| C3 | C40 | H39 | H40 | 118.0° | 120.1° |
| C40 | C41 | C2 | H37 | 120.8° | 120.0° |
| C40 | C41 | C2 | H38 | 120.8° | 120.0° |
| C40 | C41 | C2 | C1 | 179.9° | 180.0° |
| C40 | C41 | C2 | H35 | 59.3° | 60.0° |
| C40 | C41 | C2 | H36 | 59.1° | 60.0° |
| C40 | C41 | H37 | H38 | 117.5° | 120.0° |
| C41 | C40 | H39 | H40 | 118.0° | 120.0° |
| C41 | C2 | C1 | H35 | 120.8° | 120.0° |
| C41 | C2 | C1 | H36 | 120.8° | 120.0° |
| C41 | C2 | C1 | C12 | 179.9° | 180.0° |
| C41 | C2 | C1 | H33 | 59.4° | 60.0° |
| C41 | C2 | C1 | H34 | 59.6° | 60.0° |
| C41 | C2 | H35 | H36 | 117.5° | 120.0° |
| C2 | C41 | H37 | H38 | 117.6° | 120.0° |
| C2 | C41 | C40 | H39 | 60.2° | 60.0° |
| C2 | C41 | C40 | H40 | 58.5° | 60.0° |
| O35 | C34 | C14 | N13 | 63.5° | 55.6° |
| O35 | C34 | C14 | C36 | 117.0° | 120.0° |
| O35 | C34 | C14 | H27 | 121.4° | 120.0° |
| O35 | C34 | C36 | H27 | 122.6° | 120.0° |
| O35 | C34 | C14 | C15 | 178.7° | 175.5° |
| O35 | C34 | C14 | H26 | 58.2° | 64.4° |
| O35 | C34 | C36 | H28 | 180.0° | 66.0° |
| O35 | C34 | C36 | H29 | 60.0° | 54.0° |
| O35 | C34 | C36 | H30 | 60.0° | 174.0° |
| C2 | C1 | C12 | H33 | 120.5° | 120.0° |
| C2 | C1 | C12 | H34 | 120.5° | 119.9° |
| C2 | C1 | C12 | N13 | 179.5° | 180.0° |
| C2 | C1 | C12 | O37 | 0.2° | 0.0° |
| C2 | C1 | H33 | H34 | 118.5° | 120.0° |
| C1 | C2 | H35 | H36 | 117.5° | 120.0° |
| C1 | C2 | C41 | H37 | 59.2° | 60.0° |
| C1 | C2 | C41 | H38 | 59.3° | 60.0° |
| C1 | C12 | N13 | O37 | 179.3° | 180.0° |
| C1 | C12 | N13 | C14 | 179.0° | 179.9° |
| C1 | C12 | N13 | H32 | 1.0° | 0.0° |
| C12 | C1 | H33 | H34 | 118.5° | 120.0° |
| C12 | C1 | C2 | H35 | 59.3° | 60.0° |
| C12 | C1 | C2 | H36 | 59.1° | 60.1° |
| C12 | N13 | C14 | H32 | 180.0° | 179.9° |
| C12 | N13 | C14 | C34 | 154.9° | 85.0° |
| C12 | N13 | C14 | C15 | 41.1° | 155.0° |
| C12 | N13 | C14 | H26 | 83.8° | 34.9° |
| N13 | C12 | C1 | H33 | 60.0° | 60.0° |
| N13 | C12 | C1 | H34 | 59.0° | 60.0° |
| C14 | N13 | C12 | O37 | 0.3° | 0.1° |
| N13 | C14 | C34 | C15 | 115.2° | 119.9° |
| N13 | C14 | C34 | H26 | 121.7° | 120.0° |
| N13 | C14 | C34 | C36 | 179.5° | 175.6° |
| N13 | C14 | C15 | H26 | 125.4° | 120.0° |
| N13 | C14 | C15 | O33 | 37.9° | 27.5° |
| N13 | C14 | C15 | N16 | 139.6° | 152.5° |
| N13 | C14 | C34 | H27 | 57.9° | 64.5° |
| O37 | C12 | N13 | H32 | 179.7° | 180.0° |
| O37 | C12 | C1 | H33 | 120.7° | 120.0° |
| O37 | C12 | C1 | H34 | 120.3° | 120.0° |
| C14 | C34 | C36 | H27 | 121.7° | 120.0° |
| C34 | C14 | C15 | H26 | 123.2° | 120.0° |
| C34 | C14 | C15 | O33 | 73.5° | 92.4° |
| C34 | C14 | C15 | N16 | 109.0° | 87.6° |
| C14 | C34 | C36 | H28 | 64.3° | 54.0° |
| C14 | C34 | C36 | H29 | 55.7° | 174.0° |
| C14 | C34 | C36 | H30 | 175.7° | 66.0° |
| C14 | C34 | O35 | H31 | 180.0° | 60.1° |
| C34 | C14 | N13 | H32 | 25.1° | 95.0° |
| C36 | C34 | C14 | C15 | 64.3° | 64.5° |
| C36 | C34 | C14 | H26 | 58.8° | 55.6° |
| C34 | C36 | H28 | H29 | 120.0° | 120.0° |
| C34 | C36 | H28 | H30 | 120.0° | 120.0° |
| C34 | C36 | H29 | H30 | 120.0° | 120.0° |
| C36 | C34 | O35 | H31 | 62.2° | 180.0° |
| C14 | C15 | O33 | N16 | 177.3° | 180.0° |
| C14 | C15 | N16 | C17 | 178.3° | 175.4° |
| C14 | C15 | N16 | H25 | 1.6° | 4.7° |
| C15 | C14 | C34 | H27 | 57.3° | 55.5° |
| C15 | C14 | N13 | H32 | 138.8° | 24.9° |
| O33 | C15 | N16 | C17 | 1.0° | 4.6° |
| O33 | C15 | N16 | H25 | 179.0° | 175.3° |
| O33 | C15 | C14 | H26 | 163.3° | 147.6° |
| C15 | N16 | C17 | H25 | 180.0° | 179.9° |
| C15 | N16 | C17 | C18 | 133.1° | 155.0° |
| C15 | N16 | C17 | C31 | 109.0° | 85.1° |
| C15 | N16 | C17 | H6 | 13.9° | 35.0° |
| N16 | C15 | C14 | H26 | 14.2° | 32.4° |
| N16 | C17 | C18 | C31 | 118.4° | 119.9° |
| N16 | C17 | C18 | H6 | 119.6° | 120.0° |
| N16 | C17 | C31 | H6 | 121.9° | 120.0° |
| N16 | C17 | C18 | C19 | 137.6° | 162.2° |
| N16 | C17 | C31 | O32 | 15.4° | 63.3° |
| N16 | C17 | C31 | N30 | 164.9° | 116.7° |
| N16 | C17 | C18 | H23 | 17.4° | 42.2° |
| N16 | C17 | C18 | H24 | 102.1° | 77.8° |
| C18 | C17 | C31 | H6 | 120.7° | 120.0° |
| C17 | C18 | C19 | H23 | 120.2° | 120.0° |
| C17 | C18 | C19 | H24 | 120.2° | 120.0° |
| C18 | C17 | C31 | O32 | 101.9° | 56.6° |
| C17 | C18 | C19 | O20 | 75.2° | 104.2° |
| C18 | C17 | C31 | N30 | 77.8° | 123.4° |
| C17 | C18 | C19 | C21 | 170.6° | 135.9° |
| C17 | C18 | C19 | H21 | 48.3° | 15.9° |
| C17 | C18 | H23 | H24 | 119.3° | 120.0° |
| C18 | C17 | N16 | H25 | 46.9° | 24.9° |
| C31 | C17 | C18 | C19 | 104.0° | 77.9° |
| C17 | C31 | O32 | N30 | 179.7° | 180.0° |
| C17 | C31 | N30 | C28 | 178.9° | 179.5° |
| C17 | C31 | N30 | H19 | 1.1° | 0.5° |
| C31 | C17 | C18 | H23 | 135.8° | 162.1° |
| C31 | C17 | C18 | H24 | 16.3° | 42.1° |
| C31 | C17 | N16 | H25 | 71.1° | 95.0° |
| C18 | C19 | O20 | C21 | 116.1° | 120.0° |
| C18 | C19 | O20 | H21 | 122.4° | 120.0° |
| C18 | C19 | C21 | H21 | 122.1° | 120.0° |
| C18 | C19 | C21 | C22 | 103.3° | 150.5° |
| C19 | C18 | C17 | H6 | 18.0° | 42.2° |
| C18 | C19 | C21 | H7 | 136.5° | 30.6° |
| C18 | C19 | C21 | H8 | 17.0° | 89.6° |
| C18 | C19 | O20 | H22 | 180.0° | 180.0° |
| C19 | C18 | H23 | H24 | 119.4° | 120.1° |
| O32 | C31 | N30 | C28 | 0.8° | 0.5° |
| O32 | C31 | C17 | H6 | 137.4° | 176.7° |
| O32 | C31 | N30 | H19 | 179.2° | 179.5° |
| O20 | C19 | C21 | H21 | 122.5° | 120.0° |
| O20 | C19 | C21 | C22 | 141.4° | 89.5° |
| O20 | C19 | C21 | H7 | 21.1° | 150.5° |
| O20 | C19 | C21 | H8 | 98.4° | 30.4° |
| O20 | C19 | C18 | H23 | 45.0° | 15.8° |
| O20 | C19 | C18 | H24 | 164.5° | 135.9° |
| C31 | N30 | C28 | H19 | 180.0° | 180.0° |
| C31 | N30 | C28 | C29 | 100.1° | 121.2° |
| C31 | N30 | C28 | C27 | 140.0° | 119.1° |
| N30 | C31 | C17 | H6 | 42.9° | 3.3° |
| C31 | N30 | C28 | H13 | 19.8° | 0.6° |
| C19 | C21 | C22 | H7 | 120.2° | 120.0° |
| C19 | C21 | C22 | H8 | 120.2° | 120.0° |
| C19 | C21 | C22 | N23 | 50.4° | 92.8° |
| C19 | C21 | H7 | H8 | 119.3° | 120.1° |
| C19 | C21 | C22 | H9 | 69.4° | 26.9° |
| C19 | C21 | C22 | H10 | 170.2° | 147.5° |
| C21 | C19 | O20 | H22 | 63.9° | 60.0° |
| C21 | C19 | C18 | H23 | 69.1° | 104.2° |
| C21 | C19 | C18 | H24 | 50.4° | 15.9° |
| C21 | C22 | N23 | H9 | 119.8° | 119.7° |
| C21 | C22 | N23 | H10 | 119.8° | 119.8° |
| C21 | C22 | N23 | C24 | 128.8° | 67.5° |
| C22 | C21 | H7 | H8 | 119.3° | 120.0° |
| C21 | C22 | H9 | H10 | 120.5° | 120.5° |
| C21 | C22 | N23 | H20 | 51.2° | 112.5° |
| C22 | C21 | C19 | H21 | 18.8° | 30.5° |
| N30 | C28 | C29 | C27 | 120.4° | 118.7° |
| N30 | C28 | C29 | H13 | 120.4° | 120.6° |
| N30 | C28 | C27 | H13 | 120.6° | 119.7° |
| N30 | C28 | C27 | C26 | 55.8° | 83.0° |
| N30 | C28 | C27 | H14 | 175.7° | 37.0° |
| N30 | C28 | C27 | H15 | 64.2° | 157.0° |
| N30 | C28 | C29 | H16 | 180.0° | 178.7° |
| N30 | C28 | C29 | H17 | 60.0° | 61.2° |
| N30 | C28 | C29 | H18 | 60.0° | 58.7° |
| C22 | N23 | C24 | H20 | 180.0° | 180.0° |
| C22 | N23 | C24 | C26 | 179.0° | 179.8° |
| C22 | N23 | C24 | O25 | 2.3° | 0.1° |
| N23 | C22 | C21 | H7 | 170.6° | 27.2° |
| N23 | C22 | C21 | H8 | 69.9° | 147.3° |
| N23 | C22 | H9 | H10 | 120.5° | 120.5° |
| N23 | C24 | C26 | O25 | 178.7° | 179.9° |
| N23 | C24 | C26 | C27 | 135.7° | 167.2° |
| C24 | N23 | C22 | H9 | 9.0° | 52.2° |
| C24 | N23 | C22 | H10 | 111.4° | 172.7° |
| N23 | C24 | C26 | H11 | 103.6° | 47.2° |
| N23 | C24 | C26 | H12 | 15.0° | 72.7° |
| C29 | C28 | C27 | H13 | 119.1° | 120.6° |
| C29 | C28 | C27 | C26 | 176.1° | 157.3° |
| C29 | C28 | C27 | H14 | 64.0° | 82.7° |
| C29 | C28 | C27 | H15 | 56.2° | 37.3° |
| C28 | C29 | H16 | H17 | 120.0° | 120.1° |
| C28 | C29 | H16 | H18 | 120.0° | 120.0° |
| C28 | C29 | H17 | H18 | 120.0° | 120.0° |
| C29 | C28 | N30 | H19 | 79.9° | 58.8° |
| C28 | C27 | C26 | C24 | 99.8° | 78.7° |
| C28 | C27 | C26 | H14 | 119.9° | 120.0° |
| C28 | C27 | C26 | H15 | 119.9° | 120.0° |
| C28 | C27 | C26 | H11 | 139.5° | 161.3° |
| C28 | C27 | C26 | H12 | 20.9° | 41.4° |
| C28 | C27 | H14 | H15 | 120.3° | 120.0° |
| C27 | C28 | C29 | H16 | 59.6° | 60.0° |
| C27 | C28 | C29 | H17 | 179.6° | 180.0° |
| C27 | C28 | C29 | H18 | 60.4° | 60.0° |
| C27 | C28 | N30 | H19 | 40.0° | 60.9° |
| C24 | C26 | C27 | H11 | 120.7° | 120.0° |
| C24 | C26 | C27 | H12 | 120.7° | 120.1° |
| C24 | C26 | H11 | H12 | 117.9° | 120.0° |
| C24 | C26 | C27 | H14 | 140.3° | 41.3° |
| C24 | C26 | C27 | H15 | 20.1° | 161.3° |
| C26 | C24 | N23 | H20 | 1.0° | 0.2° |
| C27 | C26 | C24 | O25 | 45.6° | 12.9° |
| C27 | C26 | H11 | H12 | 117.9° | 120.0° |
| C26 | C27 | C28 | H13 | 64.8° | 36.7° |
| C26 | C27 | H14 | H15 | 120.3° | 120.0° |
| O25 | C24 | C26 | H11 | 75.0° | 132.9° |
| O25 | C24 | C26 | H12 | 166.3° | 107.2° |
| O25 | C24 | N23 | H20 | 177.7° | 179.9° |
| H1 | C4 | C5 | H2 | 0.7° | 0.1° |
| H2 | C5 | C6 | H3 | 0.1° | 0.1° |
| H3 | C6 | C7 | H4 | 0.3° | 0.1° |
| H4 | C7 | C8 | H5 | 0.0° | 0.0° |
| H6 | C17 | C18 | H23 | 102.3° | 77.8° |
| H6 | C17 | C18 | H24 | 138.2° | 162.2° |
| H6 | C17 | N16 | H25 | 166.1° | 145.0° |
| H7 | C21 | C22 | H9 | 50.8° | 146.9° |
| H7 | C21 | C22 | H10 | 69.6° | 92.6° |
| H7 | C21 | C19 | H21 | 101.4° | 89.5° |
| H8 | C21 | C22 | H9 | 170.3° | 93.1° |
| H8 | C21 | C22 | H10 | 49.9° | 27.5° |
| H8 | C21 | C19 | H21 | 139.1° | 150.4° |
| H9 | C22 | N23 | H20 | 171.0° | 127.8° |
| H10 | C22 | N23 | H20 | 68.6° | 7.2° |
| H11 | C26 | C27 | H14 | 19.7° | 78.7° |
| H11 | C26 | C27 | H15 | 100.6° | 41.3° |
| H12 | C26 | C27 | H14 | 99.0° | 161.4° |
| H12 | C26 | C27 | H15 | 140.8° | 78.6° |
| H13 | C28 | C27 | H14 | 55.1° | 156.7° |
| H13 | C28 | C27 | H15 | 175.3° | 83.4° |
| H13 | C28 | C29 | H16 | 59.6° | 60.7° |
| H13 | C28 | C29 | H17 | 60.4° | 59.3° |
| H13 | C28 | C29 | H18 | 179.6° | 179.3° |
| H13 | C28 | N30 | H19 | 160.2° | 179.4° |
| H16 | C29 | H17 | H18 | 120.0° | 120.0° |
| H21 | C19 | O20 | H22 | 57.6° | 60.0° |
| H21 | C19 | C18 | H23 | 168.5° | 135.8° |
| H21 | C19 | C18 | H24 | 71.9° | 104.1° |
| H26 | C14 | C34 | H27 | 179.6° | 175.5° |
| H26 | C14 | N13 | H32 | 96.2° | 145.0° |
| H27 | C34 | C36 | H28 | 57.4° | 174.0° |
| H27 | C34 | C36 | H29 | 177.4° | 66.0° |
| H27 | C34 | C36 | H30 | 62.6° | 54.0° |
| H27 | C34 | O35 | H31 | 59.5° | 60.0° |
| H28 | C36 | H29 | H30 | 120.0° | 120.0° |
| H33 | C1 | C2 | H35 | 179.8° | 180.0° |
| H33 | C1 | C2 | H36 | 61.4° | 60.0° |
| H34 | C1 | C2 | H35 | 61.3° | 59.9° |
| H34 | C1 | C2 | H36 | 179.6° | 180.0° |
| H35 | C2 | C41 | H37 | 180.0° | 180.0° |
| H35 | C2 | C41 | H38 | 61.5° | 60.0° |
| H36 | C2 | C41 | H37 | 61.6° | 60.0° |
| H36 | C2 | C41 | H38 | 179.9° | 180.0° |
| H37 | C41 | C40 | H39 | 179.0° | 180.0° |
| H37 | C41 | C40 | H40 | 62.3° | 60.0° |
| H38 | C41 | C40 | H39 | 60.6° | 60.0° |
| H38 | C41 | C40 | H40 | 179.3° | 180.0° |
