4Q1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | sing | 1.51Å | 1.50Å | |
| O47 | C45 | doub | 1.21Å | 1.22Å | |
| C37 | C38 | doub | 1.31Å | 1.34Å | |
| C37 | C36 | sing | 1.51Å | 1.52Å | |
| C38 | C40 | sing | 1.51Å | 1.50Å | |
| C45 | N35 | sing | 1.34Å | 1.35Å | |
| C45 | C44 | sing | 1.49Å | 1.51Å | |
| C36 | N35 | sing | 1.48Å | 1.50Å | |
| C36 | C19 | sing | 1.51Å | 1.49Å | |
| C55 | C44 | sing | 1.54Å | 1.52Å | |
| C55 | C54 | sing | 1.55Å | 1.52Å | |
| N35 | C34 | sing | 1.46Å | 1.48Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | N18 | sing | 1.47Å | 1.48Å | |
| C44 | N43 | sing | 1.48Å | 1.46Å | |
| C19 | N18 | sing | 1.37Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.35Å | 1.45Å | Aromatic |
| C22 | C23 | doub | 1.31Å | 1.34Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| O48 | C34 | sing | 1.43Å | 1.43Å | |
| N18 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C54 | C53 | sing | 1.54Å | 1.52Å | |
| C23 | C26 | sing | 1.51Å | 1.49Å | |
| C34 | C33 | sing | 1.54Å | 1.51Å | |
| C34 | C42 | sing | 1.50Å | 1.50Å | |
| O41 | C33 | sing | 1.43Å | 1.42Å | |
| N43 | C42 | sing | 1.33Å | 1.32Å | |
| N43 | C53 | sing | 1.47Å | 1.46Å | |
| C20 | C33 | sing | 1.51Å | 1.45Å | |
| C20 | C5 | sing | 1.45Å | 1.44Å | Aromatic |
| C42 | O46 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | doub | 1.42Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.34Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.08Å | 1.08Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| O41 | H25 | sing | 0.97Å | 0.95Å | |
| C44 | H26 | sing | 1.09Å | 1.10Å | |
| O48 | H27 | sing | 0.97Å | 0.95Å | |
| C53 | H28 | sing | 1.09Å | 1.10Å | |
| C53 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C54 | H31 | sing | 1.09Å | 1.10Å | |
| C55 | H32 | sing | 1.09Å | 1.10Å | |
| C55 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C37 | 119.0° | 120.0° |
| C39 | C38 | C40 | 119.0° | 120.0° |
| C38 | C39 | H19 | 109.5° | 109.4° |
| C38 | C39 | H20 | 109.5° | 109.4° |
| C38 | C39 | H21 | 109.4° | 109.5° |
| O47 | C45 | N35 | 124.7° | 118.0° |
| O47 | C45 | C44 | 118.6° | 118.0° |
| C38 | C37 | C36 | 126.3° | 120.0° |
| C37 | C38 | C40 | 122.0° | 120.0° |
| C38 | C37 | H18 | 116.8° | 120.0° |
| C37 | C36 | N35 | 115.9° | 109.8° |
| C37 | C36 | C19 | 114.4° | 109.8° |
| C37 | C36 | H17 | 106.3° | 109.8° |
| C36 | C37 | H18 | 116.9° | 120.0° |
| C38 | C40 | H22 | 109.5° | 109.5° |
| C38 | C40 | H23 | 109.5° | 109.5° |
| C38 | C40 | H24 | 109.5° | 109.5° |
| N35 | C45 | C44 | 116.7° | 123.9° |
| C45 | N35 | C36 | 122.8° | 117.8° |
| C45 | N35 | C34 | 113.7° | 124.2° |
| C45 | C44 | C55 | 112.7° | 111.4° |
| C45 | C44 | N43 | 113.5° | 109.6° |
| C45 | C44 | H26 | 109.1° | 111.2° |
| N35 | C36 | C19 | 106.2° | 107.8° |
| C36 | N35 | C34 | 123.5° | 117.9° |
| N35 | C36 | H17 | 106.6° | 109.8° |
| C36 | C19 | N18 | 138.8° | 126.6° |
| C36 | C19 | C20 | 114.9° | 123.5° |
| C19 | C36 | H17 | 106.8° | 109.8° |
| C44 | C55 | C54 | 104.0° | 102.6° |
| C55 | C44 | N43 | 102.4° | 103.3° |
| C55 | C44 | H26 | 109.0° | 110.5° |
| C44 | C55 | H32 | 110.8° | 110.8° |
| C44 | C55 | H33 | 110.8° | 110.8° |
| C55 | C54 | C53 | 106.3° | 105.0° |
| C55 | C54 | H30 | 110.3° | 110.3° |
| C55 | C54 | H31 | 110.2° | 110.5° |
| C54 | C55 | H32 | 110.8° | 110.7° |
| C54 | C55 | H33 | 110.8° | 110.8° |
| N35 | C34 | O48 | 109.1° | 108.4° |
| N35 | C34 | C33 | 118.1° | 109.4° |
| N35 | C34 | C42 | 109.3° | 112.3° |
| C22 | C21 | N18 | 110.7° | 109.4° |
| C21 | C22 | C23 | 120.3° | 120.0° |
| C22 | C21 | H7 | 109.2° | 109.4° |
| C22 | C21 | H8 | 109.2° | 109.5° |
| C21 | C22 | H9 | 119.8° | 120.0° |
| C21 | N18 | C19 | 127.9° | 125.1° |
| C21 | N18 | C4 | 122.8° | 125.1° |
| N18 | C21 | H7 | 109.1° | 109.5° |
| N18 | C21 | H8 | 109.2° | 109.5° |
| C44 | N43 | C42 | 120.4° | 125.2° |
| C44 | N43 | C53 | 113.1° | 106.1° |
| N43 | C44 | H26 | 109.8° | 110.6° |
| N18 | C19 | C20 | 106.2° | 109.9° |
| C19 | N18 | C4 | 109.3° | 109.7° |
| C19 | C20 | C33 | 130.3° | 124.6° |
| C19 | C20 | C5 | 108.6° | 107.0° |
| C22 | C23 | C24 | 121.6° | 120.0° |
| C22 | C23 | C26 | 119.0° | 120.0° |
| C23 | C22 | H9 | 119.8° | 120.0° |
| C24 | C23 | C26 | 119.4° | 120.0° |
| C23 | C24 | H10 | 109.5° | 109.5° |
| C23 | C24 | H11 | 109.4° | 109.5° |
| C23 | C24 | H12 | 109.5° | 109.5° |
| O48 | C34 | C33 | 106.2° | 109.2° |
| O48 | C34 | C42 | 109.9° | 109.2° |
| C34 | O48 | H27 | 109.5° | 114.0° |
| N18 | C4 | C5 | 112.3° | 107.3° |
| N18 | C4 | C3 | 132.6° | 132.1° |
| C54 | C53 | N43 | 103.5° | 106.7° |
| C54 | C53 | H28 | 111.0° | 110.0° |
| C54 | C53 | H29 | 110.9° | 110.0° |
| C53 | C54 | H30 | 110.3° | 110.3° |
| C53 | C54 | H31 | 110.3° | 110.4° |
| C23 | C26 | H13 | 109.5° | 109.5° |
| C23 | C26 | H14 | 109.5° | 109.4° |
| C23 | C26 | H15 | 109.5° | 109.5° |
| C33 | C34 | C42 | 104.1° | 108.3° |
| C34 | C33 | O41 | 108.4° | 109.5° |
| C34 | C33 | C20 | 103.2° | 109.3° |
| C34 | C33 | H16 | 110.9° | 109.5° |
| C34 | C42 | N43 | 116.1° | 121.7° |
| C34 | C42 | O46 | 120.9° | 119.1° |
| O41 | C33 | C20 | 109.9° | 109.5° |
| O41 | C33 | H16 | 112.3° | 109.5° |
| C33 | O41 | H25 | 109.5° | 114.0° |
| C42 | N43 | C53 | 126.5° | 128.7° |
| N43 | C42 | O46 | 123.0° | 119.1° |
| N43 | C53 | H28 | 110.9° | 110.1° |
| N43 | C53 | H29 | 111.0° | 110.0° |
| C33 | C20 | C5 | 121.1° | 128.4° |
| C20 | C33 | H16 | 111.8° | 109.5° |
| C20 | C5 | C4 | 103.6° | 106.1° |
| C20 | C5 | C6 | 130.5° | 132.5° |
| C5 | C4 | C3 | 115.2° | 120.6° |
| C4 | C5 | C6 | 125.9° | 121.4° |
| C4 | C3 | C2 | 120.9° | 116.9° |
| C4 | C3 | H4 | 119.5° | 121.5° |
| C5 | C6 | C7 | 116.8° | 116.9° |
| C5 | C6 | H5 | 121.6° | 121.5° |
| C3 | C2 | C7 | 122.1° | 122.1° |
| C3 | C2 | O1 | 115.8° | 119.0° |
| C2 | C3 | H4 | 119.6° | 121.6° |
| C6 | C7 | C2 | 119.3° | 122.1° |
| C7 | C6 | H5 | 121.6° | 121.6° |
| C6 | C7 | H6 | 120.4° | 118.9° |
| C7 | C2 | O1 | 122.1° | 118.9° |
| C2 | C7 | H6 | 120.4° | 119.0° |
| C2 | O1 | C1 | 110.3° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.4° | 109.5° |
| H10 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.4° |
| H13 | C26 | H15 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.4° | 109.5° |
| H19 | C39 | H20 | 109.5° | 109.5° |
| H19 | C39 | H21 | 109.5° | 109.5° |
| H20 | C39 | H21 | 109.5° | 109.5° |
| H22 | C40 | H23 | 109.5° | 109.4° |
| H22 | C40 | H24 | 109.5° | 109.4° |
| H23 | C40 | H24 | 109.5° | 109.5° |
| H28 | C53 | H29 | 109.5° | 109.9° |
| H30 | C54 | H31 | 109.5° | 110.3° |
| H32 | C55 | H33 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C37 | C40 | 179.7° | 180.0° |
| C39 | C38 | C37 | C36 | 179.6° | 176.6° |
| C39 | C38 | C37 | H18 | 0.4° | 3.4° |
| C38 | C39 | H19 | H20 | 120.0° | 119.9° |
| C38 | C39 | H19 | H21 | 120.0° | 120.0° |
| C38 | C39 | H20 | H21 | 120.0° | 120.0° |
| C39 | C38 | C40 | H22 | 180.0° | 96.3° |
| C39 | C38 | C40 | H23 | 60.0° | 23.7° |
| C39 | C38 | C40 | H24 | 60.0° | 143.8° |
| O47 | C45 | N35 | C44 | 178.4° | 179.9° |
| O47 | C45 | N35 | C36 | 34.6° | 10.3° |
| O47 | C45 | C44 | C55 | 52.6° | 50.4° |
| O47 | C45 | N35 | C34 | 145.5° | 171.5° |
| O47 | C45 | C44 | N43 | 168.5° | 164.1° |
| O47 | C45 | C44 | H26 | 68.6° | 73.4° |
| C38 | C37 | C36 | H18 | 180.0° | 180.0° |
| C38 | C37 | C36 | N35 | 62.2° | 122.6° |
| C38 | C37 | C36 | C19 | 61.9° | 119.0° |
| C38 | C37 | C36 | H17 | 179.5° | 1.8° |
| C37 | C38 | C39 | H19 | 180.0° | 60.0° |
| C37 | C38 | C39 | H20 | 60.0° | 180.0° |
| C37 | C38 | C39 | H21 | 60.0° | 60.0° |
| C37 | C38 | C40 | H22 | 0.4° | 83.7° |
| C37 | C38 | C40 | H23 | 119.7° | 156.3° |
| C37 | C38 | C40 | H24 | 120.4° | 36.2° |
| C36 | C37 | C38 | C40 | 0.7° | 3.4° |
| C37 | C36 | N35 | C45 | 12.1° | 17.6° |
| C37 | C36 | N35 | C19 | 128.3° | 119.5° |
| C37 | C36 | N35 | H17 | 118.1° | 120.8° |
| C37 | C36 | C19 | H17 | 117.3° | 120.8° |
| C37 | C36 | N35 | C34 | 167.7° | 164.0° |
| C37 | C36 | C19 | N18 | 12.2° | 49.0° |
| C37 | C36 | C19 | C20 | 166.3° | 131.4° |
| C40 | C38 | C37 | H18 | 179.3° | 176.6° |
| C40 | C38 | C39 | H19 | 0.3° | 120.0° |
| C40 | C38 | C39 | H20 | 119.7° | 0.1° |
| C40 | C38 | C39 | H21 | 120.3° | 120.0° |
| C38 | C40 | H22 | H23 | 120.0° | 120.0° |
| C38 | C40 | H22 | H24 | 120.0° | 120.0° |
| C38 | C40 | H23 | H24 | 120.0° | 120.1° |
| C45 | N35 | C36 | C34 | 179.8° | 178.4° |
| C45 | N35 | C36 | C19 | 140.4° | 137.1° |
| N35 | C45 | C44 | C55 | 128.9° | 129.5° |
| N35 | C45 | C44 | N43 | 12.9° | 15.8° |
| C45 | N35 | C34 | O48 | 60.8° | 122.9° |
| C45 | N35 | C34 | C33 | 177.9° | 118.1° |
| C45 | N35 | C34 | C42 | 59.4° | 2.1° |
| C45 | N35 | C36 | H17 | 106.0° | 103.2° |
| N35 | C45 | C44 | H26 | 109.9° | 106.7° |
| C44 | C45 | N35 | C36 | 146.9° | 169.9° |
| C45 | C44 | C55 | N43 | 122.4° | 117.6° |
| C45 | C44 | C55 | H26 | 121.3° | 124.1° |
| C45 | C44 | C55 | C54 | 154.1° | 155.1° |
| C44 | C45 | N35 | C34 | 32.9° | 8.4° |
| C45 | C44 | N43 | H26 | 122.4° | 122.9° |
| C45 | C44 | N43 | C42 | 34.9° | 20.2° |
| C45 | C44 | N43 | C53 | 144.9° | 158.9° |
| C45 | C44 | C55 | H32 | 35.0° | 36.9° |
| C45 | C44 | C55 | H33 | 86.8° | 86.6° |
| N35 | C36 | C19 | H17 | 113.5° | 119.6° |
| N35 | C36 | C19 | N18 | 141.4° | 168.5° |
| N35 | C36 | C19 | C20 | 37.2° | 11.9° |
| C36 | N35 | C34 | O48 | 119.4° | 55.3° |
| C36 | N35 | C34 | C33 | 1.9° | 63.6° |
| C36 | N35 | C34 | C42 | 120.5° | 176.1° |
| N35 | C36 | C37 | H18 | 117.8° | 57.4° |
| C19 | C36 | N35 | C34 | 39.4° | 44.5° |
| C36 | C19 | N18 | C21 | 2.0° | 0.3° |
| C36 | C19 | N18 | C20 | 178.7° | 179.7° |
| C36 | C19 | N18 | C4 | 179.0° | 179.6° |
| C36 | C19 | C20 | C33 | 0.4° | 0.6° |
| C36 | C19 | C20 | C5 | 178.9° | 179.6° |
| C19 | C36 | C37 | H18 | 118.1° | 61.0° |
| C44 | C55 | C54 | H32 | 119.1° | 118.3° |
| C44 | C55 | C54 | H33 | 119.1° | 118.3° |
| C55 | C44 | N43 | H26 | 115.7° | 118.3° |
| C44 | C55 | C54 | C53 | 30.3° | 21.5° |
| C55 | C44 | N43 | C42 | 156.8° | 139.0° |
| C55 | C44 | N43 | C53 | 23.1° | 40.1° |
| C44 | C55 | C54 | H30 | 149.8° | 97.3° |
| C44 | C55 | C54 | H31 | 89.2° | 140.5° |
| C44 | C55 | H32 | H33 | 122.5° | 123.5° |
| C54 | C55 | C44 | N43 | 31.7° | 37.5° |
| C55 | C54 | C53 | H30 | 119.5° | 118.8° |
| C55 | C54 | C53 | H31 | 119.5° | 119.1° |
| C55 | C54 | C53 | N43 | 16.3° | 2.0° |
| C54 | C55 | C44 | H26 | 84.6° | 80.8° |
| C55 | C54 | C53 | H28 | 102.7° | 117.5° |
| C55 | C54 | C53 | H29 | 135.4° | 121.3° |
| C55 | C54 | H30 | H31 | 121.4° | 122.3° |
| C54 | C55 | H32 | H33 | 122.5° | 123.4° |
| N35 | C34 | O48 | C33 | 128.3° | 119.1° |
| N35 | C34 | O48 | C42 | 119.8° | 122.7° |
| N35 | C34 | C33 | C42 | 121.3° | 122.7° |
| N35 | C34 | C33 | O41 | 83.1° | 164.6° |
| N35 | C34 | C42 | N43 | 38.1° | 5.9° |
| N35 | C34 | C33 | C20 | 33.5° | 44.7° |
| N35 | C34 | C42 | O46 | 141.2° | 174.0° |
| N35 | C34 | C33 | H16 | 153.3° | 75.3° |
| C34 | N35 | C36 | H17 | 74.2° | 75.1° |
| N35 | C34 | O48 | H27 | 180.0° | 179.1° |
| C22 | C21 | N18 | H7 | 120.2° | 119.9° |
| C22 | C21 | N18 | H8 | 120.2° | 120.0° |
| C22 | C21 | N18 | C19 | 131.7° | 96.1° |
| C21 | C22 | C23 | H9 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.6° | 173.9° |
| C22 | C21 | N18 | C4 | 49.4° | 83.9° |
| C21 | C22 | C23 | C26 | 178.7° | 6.0° |
| C22 | C21 | H7 | H8 | 119.4° | 120.0° |
| C21 | N18 | C19 | C4 | 179.0° | 180.0° |
| C21 | N18 | C19 | C20 | 179.3° | 180.0° |
| N18 | C21 | C22 | C23 | 114.5° | 127.8° |
| C21 | N18 | C4 | C5 | 179.7° | 180.0° |
| C21 | N18 | C4 | C3 | 1.0° | 0.1° |
| N18 | C21 | H7 | H8 | 119.4° | 120.1° |
| N18 | C21 | C22 | H9 | 65.5° | 52.2° |
| C44 | N43 | C53 | C54 | 4.5° | 26.2° |
| C44 | N43 | C42 | C34 | 7.6° | 16.6° |
| C44 | N43 | C42 | C53 | 179.8° | 178.9° |
| C44 | N43 | C42 | O46 | 173.0° | 163.3° |
| C44 | N43 | C53 | H28 | 123.5° | 93.1° |
| C44 | N43 | C53 | H29 | 114.6° | 145.6° |
| N43 | C44 | C55 | H32 | 87.5° | 80.7° |
| N43 | C44 | C55 | H33 | 150.8° | 155.8° |
| N18 | C19 | C20 | C33 | 179.4° | 179.7° |
| N18 | C19 | C20 | C5 | 0.1° | 0.1° |
| C19 | N18 | C4 | C5 | 0.6° | 0.0° |
| C19 | N18 | C4 | C3 | 179.9° | 179.9° |
| C19 | N18 | C21 | H7 | 11.5° | 143.9° |
| C19 | N18 | C21 | H8 | 108.1° | 23.9° |
| N18 | C19 | C36 | H17 | 105.1° | 71.9° |
| C20 | C19 | N18 | C4 | 0.3° | 0.0° |
| C19 | C20 | C33 | C34 | 37.3° | 17.2° |
| C19 | C20 | C33 | O41 | 78.1° | 137.2° |
| C19 | C20 | C33 | C5 | 179.3° | 179.7° |
| C19 | C20 | C5 | C4 | 0.4° | 0.1° |
| C19 | C20 | C5 | C6 | 179.8° | 180.0° |
| C19 | C20 | C33 | H16 | 156.5° | 102.7° |
| C20 | C19 | C36 | H17 | 76.3° | 107.8° |
| C22 | C23 | C24 | C26 | 179.7° | 180.0° |
| C23 | C22 | C21 | H7 | 125.3° | 7.8° |
| C23 | C22 | C21 | H8 | 5.7° | 112.2° |
| C22 | C23 | C24 | H10 | 180.0° | 90.0° |
| C22 | C23 | C24 | H11 | 60.0° | 150.0° |
| C22 | C23 | C24 | H12 | 60.0° | 30.0° |
| C22 | C23 | C26 | H13 | 180.0° | 5.7° |
| C22 | C23 | C26 | H14 | 60.0° | 125.7° |
| C22 | C23 | C26 | H15 | 60.0° | 114.3° |
| C24 | C23 | C22 | H9 | 178.4° | 6.1° |
| C23 | C24 | H10 | H11 | 120.0° | 120.0° |
| C23 | C24 | H10 | H12 | 120.0° | 120.0° |
| C23 | C24 | H11 | H12 | 120.0° | 120.0° |
| C24 | C23 | C26 | H13 | 0.3° | 174.3° |
| C24 | C23 | C26 | H14 | 119.7° | 54.4° |
| C24 | C23 | C26 | H15 | 120.3° | 65.6° |
| O48 | C34 | C33 | C42 | 116.0° | 118.8° |
| O48 | C34 | C33 | O41 | 39.6° | 46.1° |
| O48 | C34 | C42 | N43 | 81.5° | 126.2° |
| O48 | C34 | C33 | C20 | 156.2° | 73.8° |
| O48 | C34 | C42 | O46 | 99.1° | 53.7° |
| O48 | C34 | C33 | H16 | 84.0° | 166.2° |
| N18 | C4 | C5 | C20 | 0.6° | 0.0° |
| N18 | C4 | C5 | C3 | 179.4° | 179.9° |
| N18 | C4 | C5 | C6 | 179.6° | 180.0° |
| N18 | C4 | C3 | C2 | 179.9° | 179.9° |
| N18 | C4 | C3 | H4 | 0.1° | 0.1° |
| C4 | N18 | C21 | H7 | 169.6° | 36.0° |
| C4 | N18 | C21 | H8 | 70.8° | 156.1° |
| C54 | C53 | N43 | C42 | 175.3° | 152.8° |
| C54 | C53 | N43 | H28 | 119.1° | 119.4° |
| C54 | C53 | N43 | H29 | 119.1° | 119.4° |
| C54 | C53 | H28 | H29 | 122.8° | 121.3° |
| C53 | C54 | H30 | H31 | 121.5° | 122.2° |
| C53 | C54 | C55 | H32 | 88.9° | 96.7° |
| C53 | C54 | C55 | H33 | 149.4° | 139.9° |
| C26 | C23 | C22 | H9 | 1.3° | 173.9° |
| C26 | C23 | C24 | H10 | 0.3° | 90.0° |
| C26 | C23 | C24 | H11 | 120.3° | 30.0° |
| C26 | C23 | C24 | H12 | 119.7° | 150.0° |
| C23 | C26 | H13 | H14 | 120.0° | 119.9° |
| C23 | C26 | H13 | H15 | 120.0° | 120.1° |
| C23 | C26 | H14 | H15 | 120.0° | 120.0° |
| C34 | C33 | O41 | C20 | 112.1° | 119.8° |
| C34 | C33 | O41 | H16 | 122.8° | 120.1° |
| C33 | C34 | C42 | N43 | 165.2° | 115.0° |
| C34 | C33 | C20 | H16 | 119.2° | 119.9° |
| C34 | C33 | C20 | C5 | 142.0° | 163.1° |
| C33 | C34 | C42 | O46 | 14.2° | 65.1° |
| C34 | C33 | O41 | H25 | 180.0° | 179.9° |
| C33 | C34 | O48 | H27 | 51.7° | 60.0° |
| C42 | C34 | C33 | O41 | 155.6° | 72.7° |
| C34 | C42 | N43 | O46 | 179.4° | 179.9° |
| C34 | C42 | N43 | C53 | 172.2° | 162.3° |
| C42 | C34 | C33 | C20 | 87.9° | 167.4° |
| C42 | C34 | C33 | H16 | 32.0° | 47.4° |
| C42 | C34 | O48 | H27 | 60.2° | 58.2° |
| O41 | C33 | C20 | H16 | 125.4° | 120.1° |
| O41 | C33 | C20 | C5 | 102.6° | 43.1° |
| C42 | N43 | C44 | H26 | 87.5° | 102.7° |
| C42 | N43 | C53 | H28 | 56.3° | 87.8° |
| C42 | N43 | C53 | H29 | 65.6° | 33.5° |
| C53 | N43 | C42 | O46 | 7.2° | 17.7° |
| C53 | N43 | C44 | H26 | 92.7° | 78.2° |
| N43 | C53 | H28 | H29 | 122.8° | 121.4° |
| N43 | C53 | C54 | H30 | 135.8° | 120.8° |
| N43 | C53 | C54 | H31 | 103.2° | 117.1° |
| C33 | C20 | C5 | C4 | 179.9° | 179.7° |
| C33 | C20 | C5 | C6 | 0.4° | 0.2° |
| C20 | C33 | O41 | H25 | 67.9° | 60.1° |
| C20 | C5 | C4 | C6 | 179.8° | 180.0° |
| C20 | C5 | C4 | C3 | 180.0° | 179.9° |
| C20 | C5 | C6 | C7 | 179.6° | 179.8° |
| C20 | C5 | C6 | H5 | 0.3° | 0.1° |
| C5 | C20 | C33 | H16 | 22.8° | 77.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C3 | H4 | 179.1° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 1.3° | 0.0° |
| C4 | C3 | C2 | O1 | 178.4° | 179.7° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.3° | 0.1° |
| C5 | C6 | C7 | H6 | 179.7° | 179.7° |
| C3 | C2 | C7 | C6 | 1.0° | 0.0° |
| C3 | C2 | C7 | O1 | 177.0° | 179.7° |
| C3 | C2 | O1 | C1 | 56.5° | 179.7° |
| C3 | C2 | C7 | H6 | 179.0° | 179.7° |
| C6 | C7 | C2 | H6 | 180.0° | 179.7° |
| C6 | C7 | C2 | O1 | 178.0° | 179.7° |
| C7 | C2 | O1 | C1 | 120.6° | 0.0° |
| C7 | C2 | C3 | H4 | 178.7° | 180.0° |
| C2 | C7 | C6 | H5 | 179.7° | 180.0° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 59.9° |
| O1 | C2 | C3 | H4 | 1.6° | 0.3° |
| O1 | C2 | C7 | H6 | 2.0° | 0.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 119.9° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C6 | C7 | H6 | 0.4° | 0.3° |
| H7 | C21 | C22 | H9 | 54.7° | 172.2° |
| H8 | C21 | C22 | H9 | 174.3° | 67.8° |
| H10 | C24 | H11 | H12 | 120.0° | 120.0° |
| H13 | C26 | H14 | H15 | 120.0° | 120.0° |
| H16 | C33 | O41 | H25 | 57.2° | 60.0° |
| H17 | C36 | C37 | H18 | 0.5° | 178.2° |
| H19 | C39 | H20 | H21 | 120.0° | 120.1° |
| H22 | C40 | H23 | H24 | 120.0° | 120.0° |
| H26 | C44 | C55 | H32 | 156.3° | 161.0° |
| H26 | C44 | C55 | H33 | 34.5° | 37.5° |
| H28 | C53 | C54 | H30 | 16.8° | 1.3° |
| H28 | C53 | C54 | H31 | 137.8° | 123.5° |
| H29 | C53 | C54 | H30 | 105.1° | 119.9° |
| H29 | C53 | C54 | H31 | 15.9° | 2.3° |
| H30 | C54 | C55 | H32 | 30.7° | 144.5° |
| H30 | C54 | C55 | H33 | 91.1° | 21.0° |
| H31 | C54 | C55 | H32 | 151.6° | 22.3° |
| H31 | C54 | C55 | H33 | 29.9° | 101.1° |
