QOE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.38Å | |
| C3 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| O35 | C34 | sing | 1.43Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C12 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.32Å | |
| N13 | C14 | sing | 1.46Å | 1.45Å | |
| C12 | O37 | doub | 1.21Å | 1.21Å | |
| C34 | C14 | sing | 1.53Å | 1.48Å | |
| C34 | C36 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | O33 | doub | 1.21Å | 1.21Å | |
| C15 | N16 | sing | 1.35Å | 1.32Å | |
| N16 | C17 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.48Å | |
| C17 | C31 | sing | 1.51Å | 1.35Å | |
| C18 | C19 | sing | 1.53Å | 1.46Å | |
| O32 | C31 | doub | 1.21Å | 1.20Å | |
| O20 | C19 | sing | 1.43Å | 1.37Å | |
| C31 | N30 | sing | 1.38Å | 1.36Å | |
| C19 | C21 | sing | 1.53Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| N30 | C28 | sing | 1.49Å | 1.44Å | |
| C22 | N23 | sing | 1.48Å | 1.44Å | |
| N23 | C24 | sing | 1.37Å | 1.38Å | |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | C24 | sing | 1.51Å | 1.35Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 121.8° | 120.0° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C5 | C4 | H1 | 120.1° | 120.0° |
| C4 | C5 | H2 | 119.1° | 120.0° |
| C5 | C6 | C7 | 118.1° | 120.0° |
| C6 | C5 | H2 | 119.1° | 120.0° |
| C5 | C6 | H3 | 121.0° | 120.0° |
| C4 | C3 | C2 | 122.9° | 120.0° |
| C4 | C3 | C8 | 118.5° | 120.0° |
| C3 | C4 | H1 | 120.1° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C7 | C6 | H3 | 121.0° | 120.1° |
| C6 | C7 | H4 | 119.9° | 120.0° |
| C2 | C3 | C8 | 118.5° | 120.0° |
| C3 | C2 | C1 | 117.8° | 109.4° |
| C3 | C2 | H35 | 107.4° | 109.5° |
| C3 | C2 | H36 | 107.4° | 109.5° |
| C3 | C8 | C7 | 121.5° | 120.0° |
| C3 | C8 | H5 | 119.3° | 120.0° |
| O35 | C34 | C14 | 106.8° | 109.5° |
| O35 | C34 | C36 | 107.1° | 109.4° |
| O35 | C34 | H27 | 112.0° | 109.4° |
| C34 | O35 | H31 | 109.5° | 114.0° |
| C2 | C1 | C12 | 112.6° | 109.5° |
| C2 | C1 | H33 | 108.7° | 109.5° |
| C2 | C1 | H34 | 108.7° | 109.5° |
| C1 | C2 | H35 | 107.4° | 109.4° |
| C1 | C2 | H36 | 107.4° | 109.5° |
| C1 | C12 | N13 | 117.9° | 120.0° |
| C1 | C12 | O37 | 119.6° | 120.0° |
| C12 | C1 | H33 | 108.7° | 109.4° |
| C12 | C1 | H34 | 108.7° | 109.5° |
| C8 | C7 | H4 | 119.9° | 120.0° |
| C7 | C8 | H5 | 119.3° | 120.0° |
| C12 | N13 | C14 | 122.2° | 120.0° |
| N13 | C12 | O37 | 122.5° | 119.9° |
| C12 | N13 | H32 | 118.9° | 119.9° |
| N13 | C14 | C34 | 105.2° | 109.4° |
| N13 | C14 | C15 | 105.8° | 109.5° |
| N13 | C14 | H26 | 113.4° | 109.4° |
| C14 | N13 | H32 | 118.9° | 120.0° |
| C14 | C34 | C36 | 110.2° | 109.5° |
| C34 | C14 | C15 | 106.3° | 109.5° |
| C34 | C14 | H26 | 112.9° | 109.5° |
| C14 | C34 | H27 | 110.4° | 109.5° |
| C36 | C34 | H27 | 110.3° | 109.5° |
| C34 | C36 | H28 | 109.5° | 109.5° |
| C34 | C36 | H29 | 109.5° | 109.5° |
| C34 | C36 | H30 | 109.5° | 109.4° |
| C14 | C15 | O33 | 119.1° | 120.0° |
| C14 | C15 | N16 | 118.3° | 120.0° |
| C15 | C14 | H26 | 112.5° | 109.5° |
| O33 | C15 | N16 | 122.6° | 120.0° |
| C15 | N16 | C17 | 121.0° | 120.0° |
| C15 | N16 | H25 | 119.5° | 120.0° |
| N16 | C17 | C18 | 106.6° | 109.5° |
| N16 | C17 | C31 | 109.1° | 109.4° |
| N16 | C17 | H6 | 110.8° | 109.4° |
| C17 | N16 | H25 | 119.5° | 120.0° |
| C18 | C17 | C31 | 107.5° | 109.5° |
| C17 | C18 | C19 | 112.4° | 109.4° |
| C18 | C17 | H6 | 110.2° | 109.5° |
| C17 | C18 | H23 | 108.7° | 109.5° |
| C17 | C18 | H24 | 108.7° | 109.4° |
| C17 | C31 | O32 | 120.8° | 120.9° |
| C17 | C31 | N30 | 119.3° | 118.2° |
| C31 | C17 | H6 | 112.5° | 109.5° |
| C18 | C19 | O20 | 105.4° | 109.5° |
| C18 | C19 | C21 | 107.7° | 109.5° |
| C18 | C19 | H21 | 111.9° | 109.5° |
| C19 | C18 | H23 | 108.7° | 109.5° |
| C19 | C18 | H24 | 108.7° | 109.5° |
| O32 | C31 | N30 | 119.9° | 120.9° |
| O20 | C19 | C21 | 106.0° | 109.5° |
| O20 | C19 | H21 | 113.6° | 109.5° |
| C19 | O20 | H22 | 109.5° | 114.0° |
| C31 | N30 | C28 | 122.4° | 113.3° |
| C31 | N30 | H19 | 118.8° | 123.4° |
| C19 | C21 | C22 | 112.5° | 109.5° |
| C19 | C21 | H7 | 108.7° | 109.5° |
| C19 | C21 | H8 | 108.7° | 109.5° |
| C21 | C19 | H21 | 111.8° | 109.5° |
| C21 | C22 | N23 | 109.4° | 108.6° |
| C22 | C21 | H7 | 108.7° | 109.5° |
| C22 | C21 | H8 | 108.7° | 109.4° |
| C21 | C22 | H9 | 109.5° | 109.6° |
| C21 | C22 | H10 | 109.5° | 109.6° |
| N30 | C28 | C29 | 108.2° | 109.7° |
| N30 | C28 | C27 | 111.3° | 108.2° |
| N30 | C28 | H13 | 110.2° | 109.7° |
| C28 | N30 | H19 | 118.8° | 123.4° |
| C22 | N23 | C24 | 123.8° | 115.3° |
| N23 | C22 | H9 | 109.5° | 109.6° |
| N23 | C22 | H10 | 109.5° | 109.6° |
| C22 | N23 | H20 | 118.1° | 122.3° |
| N23 | C24 | C26 | 114.9° | 118.7° |
| N23 | C24 | O25 | 123.4° | 120.6° |
| C24 | N23 | H20 | 118.1° | 122.4° |
| C29 | C28 | C27 | 108.2° | 109.7° |
| C29 | C28 | H13 | 109.5° | 109.8° |
| C28 | C29 | H16 | 109.5° | 109.5° |
| C28 | C29 | H17 | 109.4° | 109.4° |
| C28 | C29 | H18 | 109.5° | 109.5° |
| C28 | C27 | C26 | 110.6° | 109.5° |
| C27 | C28 | H13 | 109.3° | 109.7° |
| C28 | C27 | H14 | 109.2° | 109.5° |
| C28 | C27 | H15 | 109.2° | 109.5° |
| C24 | C26 | C27 | 113.7° | 109.4° |
| C26 | C24 | O25 | 121.7° | 120.7° |
| C24 | C26 | H11 | 108.4° | 109.5° |
| C24 | C26 | H12 | 108.4° | 109.5° |
| C27 | C26 | H11 | 108.4° | 109.5° |
| C27 | C26 | H12 | 108.4° | 109.5° |
| C26 | C27 | H14 | 109.2° | 109.5° |
| C26 | C27 | H15 | 109.2° | 109.4° |
| H7 | C21 | H8 | 109.4° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.7° |
| H11 | C26 | H12 | 109.4° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H16 | C29 | H18 | 109.4° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H28 | C36 | H29 | 109.5° | 109.5° |
| H28 | C36 | H30 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H33 | C1 | H34 | 109.5° | 109.5° |
| H35 | C2 | H36 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | C2 | 179.7° | 179.7° |
| C5 | C4 | C3 | C8 | 0.0° | 0.1° |
| C4 | C5 | C6 | H3 | 179.5° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.6° | 0.1° |
| C6 | C5 | C4 | H1 | 179.8° | 179.7° |
| C5 | C6 | C7 | H4 | 179.4° | 180.0° |
| C4 | C3 | C2 | C8 | 179.7° | 179.6° |
| C4 | C3 | C2 | C1 | 51.3° | 90.0° |
| C4 | C3 | C8 | C7 | 0.1° | 0.2° |
| C3 | C4 | C5 | H2 | 179.7° | 179.9° |
| C4 | C3 | C8 | H5 | 179.9° | 180.0° |
| C4 | C3 | C2 | H35 | 172.5° | 29.9° |
| C4 | C3 | C2 | H36 | 69.9° | 150.0° |
| C6 | C7 | C8 | C3 | 0.4° | 0.2° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 179.4° | 179.9° |
| C6 | C7 | C8 | H5 | 179.6° | 180.0° |
| C3 | C2 | C1 | H35 | 121.2° | 120.0° |
| C3 | C2 | C1 | H36 | 121.2° | 120.0° |
| C3 | C2 | C1 | C12 | 179.7° | 180.0° |
| C2 | C3 | C8 | C7 | 179.7° | 179.8° |
| C2 | C3 | C4 | H1 | 0.3° | 0.0° |
| C2 | C3 | C8 | H5 | 0.4° | 0.4° |
| C3 | C2 | C1 | H33 | 59.9° | 60.0° |
| C3 | C2 | C1 | H34 | 59.2° | 60.0° |
| C3 | C2 | H35 | H36 | 116.2° | 120.0° |
| C8 | C3 | C2 | C1 | 129.0° | 90.4° |
| C3 | C8 | C7 | H5 | 180.0° | 179.8° |
| C8 | C3 | C4 | H1 | 180.0° | 179.6° |
| C3 | C8 | C7 | H4 | 179.6° | 179.9° |
| C8 | C3 | C2 | H35 | 7.8° | 149.7° |
| C8 | C3 | C2 | H36 | 109.8° | 29.6° |
| O35 | C34 | C14 | N13 | 64.3° | 55.5° |
| O35 | C34 | C14 | C36 | 116.0° | 120.0° |
| O35 | C34 | C14 | H27 | 122.0° | 120.0° |
| O35 | C34 | C36 | H27 | 122.1° | 119.9° |
| O35 | C34 | C14 | C15 | 176.2° | 175.5° |
| O35 | C34 | C14 | H26 | 59.9° | 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° | 120.0° |
| C2 | C1 | C12 | N13 | 179.8° | 180.0° |
| C2 | C1 | C12 | O37 | 0.8° | 0.0° |
| C2 | C1 | H33 | H34 | 118.6° | 120.0° |
| C1 | C2 | H35 | H36 | 116.2° | 120.0° |
| C1 | C12 | N13 | O37 | 178.9° | 180.0° |
| C1 | C12 | N13 | C14 | 178.0° | 180.0° |
| C1 | C12 | N13 | H32 | 2.0° | 0.0° |
| C12 | C1 | H33 | H34 | 118.6° | 120.0° |
| C12 | C1 | C2 | H35 | 58.4° | 60.0° |
| C12 | C1 | C2 | H36 | 59.1° | 60.0° |
| C8 | C7 | C6 | H3 | 179.4° | 180.0° |
| C12 | N13 | C14 | H32 | 180.0° | 179.9° |
| C12 | N13 | C14 | C34 | 167.4° | 85.0° |
| C12 | N13 | C14 | C15 | 55.1° | 155.0° |
| C12 | N13 | C14 | H26 | 68.6° | 34.9° |
| N13 | C12 | C1 | H33 | 59.8° | 60.0° |
| N13 | C12 | C1 | H34 | 59.3° | 60.0° |
| C14 | N13 | C12 | O37 | 0.9° | 0.0° |
| N13 | C14 | C34 | C15 | 111.9° | 120.0° |
| N13 | C14 | C34 | H26 | 124.2° | 119.9° |
| N13 | C14 | C34 | C36 | 179.8° | 175.5° |
| N13 | C14 | C15 | H26 | 124.3° | 120.0° |
| N13 | C14 | C15 | O33 | 35.5° | 27.6° |
| N13 | C14 | C15 | N16 | 143.3° | 152.5° |
| N13 | C14 | C34 | H27 | 57.8° | 64.5° |
| O37 | C12 | N13 | H32 | 179.2° | 180.0° |
| O37 | C12 | C1 | H33 | 121.3° | 120.0° |
| O37 | C12 | C1 | H34 | 119.6° | 120.0° |
| C14 | C34 | C36 | H27 | 122.1° | 120.1° |
| C34 | C14 | C15 | H26 | 124.1° | 120.0° |
| C34 | C14 | C15 | O33 | 76.0° | 92.4° |
| C34 | C14 | C15 | N16 | 105.1° | 87.6° |
| C14 | C34 | C36 | H28 | 64.2° | 54.0° |
| C14 | C34 | C36 | H29 | 55.8° | 174.0° |
| C14 | C34 | C36 | H30 | 175.8° | 66.0° |
| C14 | C34 | O35 | H31 | 180.0° | 60.0° |
| C34 | C14 | N13 | H32 | 12.5° | 95.0° |
| C36 | C34 | C14 | C15 | 67.8° | 64.5° |
| C36 | C34 | C14 | H26 | 56.0° | 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 | 62.1° | 180.0° |
| C14 | C15 | O33 | N16 | 178.8° | 180.0° |
| C14 | C15 | N16 | C17 | 177.9° | 175.3° |
| C14 | C15 | N16 | H25 | 2.1° | 4.7° |
| C15 | C14 | C34 | H27 | 54.2° | 55.6° |
| C15 | C14 | N13 | H32 | 124.8° | 25.0° |
| O33 | C15 | N16 | C17 | 0.9° | 4.6° |
| O33 | C15 | N16 | H25 | 179.1° | 175.3° |
| O33 | C15 | C14 | H26 | 159.9° | 147.6° |
| C15 | N16 | C17 | H25 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 129.8° | 155.0° |
| C15 | N16 | C17 | C31 | 114.5° | 85.0° |
| C15 | N16 | C17 | H6 | 9.8° | 35.0° |
| N16 | C15 | C14 | H26 | 19.0° | 32.5° |
| N16 | C17 | C18 | C31 | 116.8° | 120.0° |
| N16 | C17 | C18 | H6 | 120.3° | 120.0° |
| N16 | C17 | C31 | H6 | 123.3° | 119.9° |
| N16 | C17 | C18 | C19 | 139.0° | 162.2° |
| N16 | C17 | C31 | O32 | 20.0° | 63.4° |
| N16 | C17 | C31 | N30 | 160.6° | 116.7° |
| N16 | C17 | C18 | H23 | 18.6° | 42.2° |
| N16 | C17 | C18 | H24 | 100.5° | 77.8° |
| C18 | C17 | C31 | H6 | 121.5° | 120.1° |
| C17 | C18 | C19 | H23 | 120.4° | 120.0° |
| C17 | C18 | C19 | H24 | 120.5° | 120.0° |
| C18 | C17 | C31 | O32 | 95.2° | 56.6° |
| C17 | C18 | C19 | O20 | 80.9° | 104.2° |
| C18 | C17 | C31 | N30 | 84.3° | 123.3° |
| C17 | C18 | C19 | C21 | 166.2° | 135.8° |
| C17 | C18 | C19 | H21 | 43.0° | 15.8° |
| C17 | C18 | H23 | H24 | 118.7° | 120.0° |
| C18 | C17 | N16 | H25 | 50.2° | 25.0° |
| C31 | C17 | C18 | C19 | 104.2° | 77.8° |
| C17 | C31 | O32 | N30 | 179.5° | 179.9° |
| C17 | C31 | N30 | C28 | 179.4° | 179.5° |
| C17 | C31 | N30 | H19 | 0.6° | 0.5° |
| C31 | C17 | C18 | H23 | 135.4° | 162.2° |
| C31 | C17 | C18 | H24 | 16.3° | 42.1° |
| C31 | C17 | N16 | H25 | 65.5° | 95.0° |
| C18 | C19 | O20 | C21 | 114.0° | 120.0° |
| C18 | C19 | O20 | H21 | 122.8° | 120.0° |
| C18 | C19 | C21 | H21 | 123.3° | 120.0° |
| C18 | C19 | C21 | C22 | 103.7° | 150.5° |
| C19 | C18 | C17 | H6 | 18.7° | 42.2° |
| C18 | C19 | C21 | H7 | 135.8° | 30.5° |
| C18 | C19 | C21 | H8 | 16.8° | 89.5° |
| C18 | C19 | O20 | H22 | 180.0° | 180.0° |
| C19 | C18 | H23 | H24 | 118.7° | 120.1° |
| O32 | C31 | N30 | C28 | 0.1° | 0.4° |
| O32 | C31 | C17 | H6 | 143.3° | 176.6° |
| O32 | C31 | N30 | H19 | 179.9° | 179.6° |
| O20 | C19 | C21 | H21 | 124.3° | 120.0° |
| O20 | C19 | C21 | C22 | 143.9° | 89.5° |
| O20 | C19 | C21 | H7 | 23.4° | 150.4° |
| O20 | C19 | C21 | H8 | 95.6° | 30.4° |
| O20 | C19 | C18 | H23 | 39.5° | 15.8° |
| O20 | C19 | C18 | H24 | 158.6° | 135.9° |
| C31 | N30 | C28 | H19 | 180.0° | 179.9° |
| C31 | N30 | C28 | C29 | 105.7° | 121.2° |
| C31 | N30 | C28 | C27 | 135.5° | 119.2° |
| N30 | C31 | C17 | H6 | 37.2° | 3.2° |
| C31 | N30 | C28 | H13 | 14.1° | 0.5° |
| C19 | C21 | C22 | H7 | 120.5° | 120.1° |
| C19 | C21 | C22 | H8 | 120.5° | 120.0° |
| C19 | C21 | C22 | N23 | 52.4° | 92.8° |
| C19 | C21 | H7 | H8 | 118.6° | 120.0° |
| C19 | C21 | C22 | H9 | 67.5° | 26.9° |
| C19 | C21 | C22 | H10 | 172.4° | 147.5° |
| C21 | C19 | O20 | H22 | 66.0° | 60.0° |
| C21 | C19 | C18 | H23 | 73.3° | 104.2° |
| C21 | C19 | C18 | H24 | 45.8° | 15.9° |
| C21 | C22 | N23 | H9 | 120.0° | 119.8° |
| C21 | C22 | N23 | H10 | 120.0° | 119.8° |
| C21 | C22 | N23 | C24 | 133.4° | 67.5° |
| C22 | C21 | H7 | H8 | 118.6° | 119.9° |
| C21 | C22 | H9 | H10 | 120.1° | 120.5° |
| C21 | C22 | N23 | H20 | 46.6° | 112.5° |
| C22 | C21 | C19 | H21 | 19.6° | 30.5° |
| N30 | C28 | C29 | C27 | 120.7° | 118.7° |
| N30 | C28 | C29 | H13 | 120.2° | 120.7° |
| N30 | C28 | C27 | H13 | 122.0° | 119.7° |
| N30 | C28 | C27 | C26 | 60.3° | 83.0° |
| N30 | C28 | C27 | H14 | 179.5° | 37.0° |
| N30 | C28 | C27 | H15 | 59.8° | 157.0° |
| N30 | C28 | C29 | H16 | 180.0° | 178.7° |
| N30 | C28 | C29 | H17 | 60.0° | 61.3° |
| N30 | C28 | C29 | H18 | 60.0° | 58.7° |
| C22 | N23 | C24 | H20 | 180.0° | 180.0° |
| C22 | N23 | C24 | C26 | 178.8° | 179.8° |
| C22 | N23 | C24 | O25 | 2.6° | 0.2° |
| N23 | C22 | C21 | H7 | 172.9° | 27.2° |
| N23 | C22 | C21 | H8 | 68.0° | 147.2° |
| N23 | C22 | H9 | H10 | 120.0° | 120.4° |
| N23 | C24 | C26 | O25 | 178.6° | 180.0° |
| N23 | C24 | C26 | C27 | 128.1° | 167.2° |
| C24 | N23 | C22 | H9 | 13.5° | 52.3° |
| C24 | N23 | C22 | H10 | 106.6° | 172.8° |
| N23 | C24 | C26 | H11 | 111.3° | 47.2° |
| N23 | C24 | C26 | H12 | 7.5° | 72.8° |
| C29 | C28 | C27 | H13 | 119.2° | 120.6° |
| C29 | C28 | C27 | C26 | 179.1° | 157.3° |
| C29 | C28 | C27 | H14 | 60.8° | 82.7° |
| C29 | C28 | C27 | H15 | 58.9° | 37.4° |
| C28 | C29 | H16 | H17 | 120.0° | 119.9° |
| C28 | C29 | H16 | H18 | 120.0° | 120.0° |
| C28 | C29 | H17 | H18 | 120.0° | 120.0° |
| C29 | C28 | N30 | H19 | 74.3° | 58.7° |
| C28 | C27 | C26 | C24 | 100.0° | 78.7° |
| C28 | C27 | C26 | H14 | 120.1° | 120.0° |
| C28 | C27 | C26 | H15 | 120.2° | 120.0° |
| C28 | C27 | C26 | H11 | 139.4° | 161.3° |
| C28 | C27 | C26 | H12 | 20.7° | 41.3° |
| C28 | C27 | H14 | H15 | 119.5° | 120.0° |
| C27 | C28 | C29 | H16 | 59.2° | 60.0° |
| C27 | C28 | C29 | H17 | 179.3° | 180.0° |
| C27 | C28 | C29 | H18 | 60.7° | 60.0° |
| C27 | C28 | N30 | H19 | 44.5° | 60.9° |
| C24 | C26 | C27 | H11 | 120.6° | 120.0° |
| C24 | C26 | C27 | H12 | 120.6° | 120.0° |
| C24 | C26 | H11 | H12 | 118.1° | 120.0° |
| C24 | C26 | C27 | H14 | 139.9° | 41.4° |
| C24 | C26 | C27 | H15 | 20.2° | 161.4° |
| C26 | C24 | N23 | H20 | 1.2° | 0.2° |
| C27 | C26 | C24 | O25 | 53.2° | 12.8° |
| C27 | C26 | H11 | H12 | 118.1° | 120.0° |
| C26 | C27 | C28 | H13 | 61.7° | 36.6° |
| C26 | C27 | H14 | H15 | 119.5° | 120.0° |
| O25 | C24 | C26 | H11 | 67.4° | 132.8° |
| O25 | C24 | C26 | H12 | 173.9° | 107.2° |
| O25 | C24 | N23 | H20 | 177.4° | 179.8° |
| H1 | C4 | C5 | H2 | 0.3° | 0.4° |
| H2 | C5 | C6 | H3 | 0.6° | 0.0° |
| H3 | C6 | C7 | H4 | 0.6° | 0.1° |
| H4 | C7 | C8 | H5 | 0.4° | 0.1° |
| H6 | C17 | C18 | H23 | 101.7° | 77.8° |
| H6 | C17 | C18 | H24 | 139.2° | 162.2° |
| H6 | C17 | N16 | H25 | 170.1° | 145.0° |
| H7 | C21 | C22 | H9 | 52.9° | 147.0° |
| H7 | C21 | C22 | H10 | 67.1° | 92.5° |
| H7 | C21 | C19 | H21 | 100.9° | 89.6° |
| H8 | C21 | C22 | H9 | 172.0° | 93.0° |
| H8 | C21 | C22 | H10 | 51.9° | 27.5° |
| H8 | C21 | C19 | H21 | 140.1° | 150.4° |
| H9 | C22 | N23 | H20 | 166.5° | 127.7° |
| H10 | C22 | N23 | H20 | 73.4° | 7.2° |
| H11 | C26 | C27 | H14 | 19.3° | 78.6° |
| H11 | C26 | C27 | H15 | 100.4° | 41.4° |
| H12 | C26 | C27 | H14 | 99.4° | 161.4° |
| H12 | C26 | C27 | H15 | 140.9° | 78.6° |
| H13 | C28 | C27 | H14 | 58.5° | 156.7° |
| H13 | C28 | C27 | H15 | 178.2° | 83.3° |
| H13 | C28 | C29 | H16 | 59.8° | 60.6° |
| H13 | C28 | C29 | H17 | 60.2° | 59.3° |
| H13 | C28 | C29 | H18 | 179.8° | 179.4° |
| H13 | C28 | N30 | H19 | 165.9° | 179.4° |
| H16 | C29 | H17 | H18 | 120.0° | 120.0° |
| H21 | C19 | O20 | H22 | 57.2° | 60.0° |
| H21 | C19 | C18 | H23 | 163.4° | 135.8° |
| H21 | C19 | C18 | H24 | 77.5° | 104.2° |
| H26 | C14 | C34 | H27 | 178.0° | 175.6° |
| H26 | C14 | N13 | H32 | 111.4° | 145.0° |
| H27 | C34 | C36 | H28 | 57.9° | 174.0° |
| H27 | C34 | C36 | H29 | 177.9° | 65.9° |
| H27 | C34 | C36 | H30 | 62.1° | 54.1° |
| H27 | C34 | O35 | H31 | 59.0° | 60.0° |
| H28 | C36 | H29 | H30 | 120.0° | 120.0° |
| H33 | C1 | C2 | H35 | 178.9° | 180.0° |
| H33 | C1 | C2 | H36 | 61.3° | 60.0° |
| H34 | C1 | C2 | H35 | 62.0° | 60.0° |
| H34 | C1 | C2 | H36 | 179.6° | 180.0° |
