20T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | P40 | doub | 1.48Å | 1.61Å | |
| O42 | P40 | sing | 1.61Å | 1.61Å | |
| P40 | O41 | sing | 1.61Å | 1.48Å | |
| P40 | O39 | sing | 1.61Å | 1.60Å | |
| O39 | C38 | sing | 1.43Å | 1.42Å | |
| C38 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | O37 | sing | 1.44Å | 1.45Å | |
| C35 | C33 | sing | 1.54Å | 1.54Å | |
| O37 | C29 | sing | 1.44Å | 1.45Å | |
| O44 | C33 | sing | 1.43Å | 1.43Å | |
| C33 | C31 | sing | 1.55Å | 1.54Å | |
| C29 | C31 | sing | 1.55Å | 1.55Å | |
| C29 | N25 | sing | 1.47Å | 1.48Å | |
| O45 | C31 | sing | 1.43Å | 1.43Å | |
| N24 | N25 | sing | 1.40Å | 1.40Å | Aromatic |
| N24 | C23 | doub | 1.30Å | 1.30Å | Aromatic |
| N25 | C26 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.46Å | 1.46Å | Aromatic |
| C26 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | N27 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| N27 | C28 | doub | 1.31Å | 1.31Å | Aromatic |
| C21 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C18 | sing | 1.48Å | 1.47Å | |
| C18 | N17 | sing | 1.35Å | 1.35Å | |
| C18 | O19 | doub | 1.22Å | 1.22Å | |
| N17 | C16 | sing | 1.46Å | 1.46Å | |
| C16 | C13 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| O9 | S7 | doub | 1.42Å | 1.42Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | S7 | sing | 1.76Å | 1.76Å | |
| S7 | O8 | doub | 1.42Å | 1.42Å | |
| S7 | C5 | sing | 1.76Å | 1.77Å | |
| F49 | C46 | sing | 1.40Å | 1.40Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | F48 | sing | 1.40Å | 1.40Å | |
| C46 | C3 | sing | 1.51Å | 1.51Å | |
| C46 | F47 | sing | 1.40Å | 1.40Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| O41 | H21 | sing | 0.97Å | 0.95Å | |
| O42 | H22 | sing | 0.97Å | 0.95Å | |
| O44 | H23 | sing | 0.97Å | 0.95Å | |
| O45 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | P40 | O42 | 109.3° | 109.4° |
| O43 | P40 | O41 | 110.8° | 109.5° |
| O43 | P40 | O39 | 109.5° | 109.5° |
| O42 | P40 | O41 | 111.3° | 109.5° |
| O42 | P40 | O39 | 108.7° | 109.5° |
| P40 | O42 | H22 | 109.5° | 114.0° |
| O41 | P40 | O39 | 107.3° | 109.5° |
| P40 | O41 | H21 | 109.5° | 114.0° |
| P40 | O39 | C38 | 120.3° | 123.0° |
| O39 | C38 | C35 | 107.8° | 109.5° |
| O39 | C38 | H19 | 109.9° | 109.4° |
| O39 | C38 | H20 | 109.9° | 109.5° |
| C38 | C35 | O37 | 109.7° | 109.9° |
| C38 | C35 | C33 | 108.5° | 109.9° |
| C38 | C35 | H18 | 109.6° | 110.0° |
| C35 | C38 | H19 | 109.9° | 109.5° |
| C35 | C38 | H20 | 109.9° | 109.5° |
| O37 | C35 | C33 | 108.8° | 107.3° |
| C35 | O37 | C29 | 110.4° | 107.0° |
| O37 | C35 | H18 | 110.7° | 109.9° |
| C35 | C33 | O44 | 109.2° | 110.6° |
| C35 | C33 | C31 | 103.6° | 104.2° |
| C35 | C33 | H17 | 110.4° | 110.5° |
| C33 | C35 | H18 | 109.4° | 109.8° |
| O37 | C29 | C31 | 107.3° | 103.5° |
| O37 | C29 | N25 | 108.4° | 110.6° |
| O37 | C29 | H15 | 109.2° | 110.8° |
| O44 | C33 | C31 | 110.7° | 110.5° |
| O44 | C33 | H17 | 112.0° | 110.4° |
| C33 | O44 | H23 | 109.5° | 114.0° |
| C33 | C31 | C29 | 106.3° | 102.1° |
| C33 | C31 | O45 | 109.3° | 110.9° |
| C33 | C31 | H16 | 109.7° | 110.9° |
| C31 | C33 | H17 | 110.5° | 110.5° |
| C31 | C29 | N25 | 115.1° | 110.6° |
| C29 | C31 | O45 | 110.7° | 111.0° |
| C31 | C29 | H15 | 107.9° | 110.6° |
| C29 | C31 | H16 | 109.5° | 110.9° |
| C29 | N25 | N24 | 122.1° | 125.4° |
| C29 | N25 | C26 | 129.1° | 125.3° |
| N25 | C29 | H15 | 108.8° | 110.6° |
| O45 | C31 | H16 | 111.2° | 110.8° |
| C31 | O45 | H24 | 109.5° | 114.0° |
| N25 | N24 | C23 | 110.9° | 110.2° |
| N24 | N25 | C26 | 108.8° | 109.3° |
| N24 | C23 | C22 | 107.3° | 107.5° |
| N24 | C23 | H13 | 126.4° | 126.2° |
| N25 | C26 | C22 | 106.0° | 106.5° |
| N25 | C26 | N27 | 134.7° | 133.3° |
| C23 | C22 | C26 | 106.9° | 106.5° |
| C23 | C22 | C21 | 133.5° | 134.1° |
| C22 | C23 | H13 | 126.4° | 126.3° |
| C22 | C26 | N27 | 119.3° | 120.2° |
| C26 | C22 | C21 | 119.6° | 119.5° |
| C26 | N27 | C28 | 122.9° | 121.9° |
| C22 | C21 | C20 | 117.9° | 117.9° |
| C22 | C21 | H12 | 121.1° | 121.1° |
| N27 | C28 | C20 | 120.8° | 121.3° |
| N27 | C28 | H14 | 119.6° | 119.3° |
| C21 | C20 | C28 | 119.6° | 119.2° |
| C21 | C20 | C18 | 120.1° | 120.4° |
| C20 | C21 | H12 | 121.0° | 121.0° |
| C28 | C20 | C18 | 120.3° | 120.4° |
| C20 | C28 | H14 | 119.6° | 119.3° |
| C20 | C18 | N17 | 118.7° | 120.0° |
| C20 | C18 | O19 | 119.5° | 120.0° |
| N17 | C18 | O19 | 121.8° | 120.0° |
| C18 | N17 | C16 | 121.5° | 120.0° |
| C18 | N17 | H11 | 119.3° | 120.0° |
| N17 | C16 | C13 | 114.2° | 109.5° |
| N17 | C16 | H9 | 108.3° | 109.5° |
| N17 | C16 | H10 | 108.3° | 109.5° |
| C16 | N17 | H11 | 119.2° | 120.0° |
| C16 | C13 | C14 | 119.8° | 120.0° |
| C16 | C13 | C12 | 119.9° | 120.0° |
| C13 | C16 | H9 | 108.3° | 109.4° |
| C13 | C16 | H10 | 108.3° | 109.5° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | C12 | 120.2° | 120.0° |
| C13 | C14 | H7 | 120.0° | 120.0° |
| C14 | C15 | C10 | 120.1° | 120.0° |
| C15 | C14 | H7 | 120.0° | 120.0° |
| C14 | C15 | H8 | 120.0° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C13 | C12 | H6 | 120.1° | 120.0° |
| C15 | C10 | C11 | 120.2° | 120.0° |
| C15 | C10 | S7 | 119.2° | 120.0° |
| C10 | C15 | H8 | 120.0° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.0° |
| C12 | C11 | H5 | 120.1° | 120.0° |
| C11 | C12 | H6 | 120.1° | 120.0° |
| O9 | S7 | C10 | 106.9° | 106.4° |
| O9 | S7 | O8 | 123.9° | 123.1° |
| O9 | S7 | C5 | 106.9° | 106.4° |
| C11 | C10 | S7 | 120.5° | 120.0° |
| C10 | C11 | H5 | 120.1° | 120.0° |
| C10 | S7 | O8 | 107.2° | 106.5° |
| C10 | S7 | C5 | 102.0° | 107.2° |
| O8 | S7 | C5 | 107.8° | 106.4° |
| S7 | C5 | C4 | 119.8° | 120.0° |
| S7 | C5 | C6 | 120.6° | 120.0° |
| F49 | C46 | F48 | 109.2° | 109.5° |
| F49 | C46 | C3 | 110.0° | 109.4° |
| F49 | C46 | F47 | 108.5° | 109.5° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.0° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C4 | C3 | C46 | 120.0° | 120.0° |
| C4 | C3 | C2 | 119.4° | 120.0° |
| C3 | C4 | H3 | 119.6° | 120.0° |
| C5 | C6 | C1 | 119.8° | 120.0° |
| C5 | C6 | H4 | 120.1° | 120.0° |
| F48 | C46 | C3 | 109.6° | 109.5° |
| F48 | C46 | F47 | 109.1° | 109.5° |
| C3 | C46 | F47 | 110.4° | 109.4° |
| C46 | C3 | C2 | 120.5° | 120.0° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C6 | C1 | C2 | 120.4° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.1° |
| C1 | C6 | H4 | 120.1° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H19 | C38 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | P40 | O42 | O41 | 122.6° | 120.0° |
| O43 | P40 | O42 | O39 | 119.5° | 120.0° |
| O43 | P40 | O41 | O39 | 119.5° | 120.0° |
| O43 | P40 | O39 | C38 | 134.2° | 55.1° |
| O43 | P40 | O41 | H21 | 0.0° | 179.9° |
| O43 | P40 | O42 | H22 | 0.0° | 60.0° |
| O42 | P40 | O41 | O39 | 118.7° | 120.0° |
| O42 | P40 | O39 | C38 | 14.9° | 175.0° |
| O42 | P40 | O41 | H21 | 121.7° | 59.9° |
| O41 | P40 | O39 | C38 | 105.5° | 65.0° |
| O41 | P40 | O42 | H22 | 122.6° | 60.0° |
| P40 | O39 | C38 | C35 | 114.6° | 179.9° |
| P40 | O39 | C38 | H19 | 5.2° | 60.0° |
| P40 | O39 | C38 | H20 | 125.7° | 59.9° |
| O39 | P40 | O41 | H21 | 119.5° | 60.1° |
| O39 | P40 | O42 | H22 | 119.5° | 179.9° |
| O39 | C38 | C35 | H19 | 119.7° | 120.0° |
| O39 | C38 | C35 | H20 | 119.7° | 120.0° |
| O39 | C38 | C35 | O37 | 159.5° | 66.5° |
| O39 | C38 | C35 | C33 | 81.8° | 175.7° |
| O39 | C38 | C35 | H18 | 37.7° | 54.7° |
| O39 | C38 | H19 | H20 | 120.7° | 119.9° |
| C38 | C35 | O37 | C33 | 118.6° | 119.5° |
| C38 | C35 | O37 | H18 | 121.1° | 121.2° |
| C38 | C35 | C33 | H18 | 119.6° | 121.1° |
| C38 | C35 | O37 | C29 | 130.0° | 146.0° |
| C38 | C35 | C33 | O44 | 104.3° | 119.8° |
| C38 | C35 | C33 | C31 | 137.7° | 121.5° |
| C38 | C35 | C33 | H17 | 19.4° | 2.8° |
| C35 | C38 | H19 | H20 | 120.8° | 120.0° |
| O37 | C35 | C33 | H18 | 121.0° | 119.4° |
| O37 | C35 | C33 | O44 | 136.4° | 120.8° |
| O37 | C35 | C33 | C31 | 18.3° | 2.0° |
| C35 | O37 | C29 | C31 | 0.5° | 40.1° |
| C35 | O37 | C29 | N25 | 124.4° | 158.5° |
| C35 | O37 | C29 | H15 | 117.2° | 78.5° |
| O37 | C35 | C33 | H17 | 100.0° | 116.6° |
| O37 | C35 | C38 | H19 | 39.8° | 173.5° |
| O37 | C35 | C38 | H20 | 80.8° | 53.6° |
| C33 | C35 | O37 | C29 | 11.4° | 26.5° |
| C35 | C33 | O44 | C31 | 113.5° | 114.8° |
| C35 | C33 | O44 | H17 | 122.7° | 122.6° |
| C35 | C33 | C31 | H17 | 118.3° | 118.7° |
| C35 | C33 | C31 | C29 | 18.1° | 20.9° |
| C35 | C33 | C31 | O45 | 101.4° | 139.1° |
| C35 | C33 | C31 | H16 | 136.4° | 97.3° |
| C33 | C35 | C38 | H19 | 158.5° | 55.7° |
| C33 | C35 | C38 | H20 | 38.0° | 64.3° |
| C35 | C33 | O44 | H23 | 180.0° | 176.2° |
| O37 | C29 | C31 | C33 | 12.1° | 37.0° |
| O37 | C29 | C31 | N25 | 120.8° | 118.5° |
| O37 | C29 | C31 | H15 | 117.5° | 118.7° |
| O37 | C29 | N25 | H15 | 118.6° | 123.1° |
| O37 | C29 | C31 | O45 | 106.5° | 155.3° |
| O37 | C29 | N25 | N24 | 42.0° | 39.0° |
| O37 | C29 | N25 | C26 | 139.1° | 140.9° |
| O37 | C29 | C31 | H16 | 130.5° | 81.1° |
| C29 | O37 | C35 | H18 | 108.8° | 92.9° |
| O44 | C33 | C31 | H17 | 124.7° | 122.5° |
| O44 | C33 | C31 | C29 | 135.1° | 98.0° |
| O44 | C33 | C31 | O45 | 15.6° | 20.3° |
| O44 | C33 | C31 | H16 | 106.6° | 143.8° |
| O44 | C33 | C35 | H18 | 15.4° | 1.3° |
| C33 | C31 | C29 | O45 | 118.6° | 118.3° |
| C33 | C31 | C29 | H16 | 118.4° | 118.2° |
| C33 | C31 | C29 | N25 | 108.6° | 155.5° |
| C33 | C31 | O45 | H16 | 121.3° | 123.6° |
| C33 | C31 | C29 | H15 | 129.7° | 81.7° |
| C31 | C33 | C35 | H18 | 102.7° | 117.4° |
| C31 | C33 | O44 | H23 | 66.5° | 61.4° |
| C33 | C31 | O45 | H24 | 180.0° | 67.3° |
| C31 | C29 | N25 | H15 | 121.2° | 122.9° |
| C29 | C31 | O45 | H16 | 122.0° | 123.7° |
| C31 | C29 | N25 | N24 | 162.2° | 75.0° |
| C31 | C29 | N25 | C26 | 18.9° | 105.0° |
| C29 | C31 | C33 | H17 | 100.2° | 139.5° |
| C29 | C31 | O45 | H24 | 63.3° | 180.0° |
| N25 | C29 | C31 | O45 | 132.8° | 86.2° |
| C29 | N25 | N24 | C26 | 179.1° | 180.0° |
| C29 | N25 | N24 | C23 | 179.6° | 180.0° |
| C29 | N25 | C26 | C22 | 179.4° | 179.9° |
| C29 | N25 | C26 | N27 | 0.6° | 0.0° |
| N25 | C29 | C31 | H16 | 9.8° | 37.3° |
| O45 | C31 | C29 | H15 | 11.1° | 36.6° |
| O45 | C31 | C33 | H17 | 140.3° | 102.2° |
| N25 | N24 | C23 | C22 | 0.4° | 0.0° |
| N24 | N25 | C26 | C22 | 0.4° | 0.0° |
| N24 | N25 | C26 | N27 | 179.7° | 180.0° |
| N25 | N24 | C23 | H13 | 179.6° | 179.9° |
| N24 | N25 | C29 | H15 | 76.6° | 162.1° |
| C23 | N24 | N25 | C26 | 0.5° | 0.0° |
| N24 | C23 | C22 | H13 | 180.0° | 179.9° |
| N24 | C23 | C22 | C26 | 0.2° | 0.0° |
| N24 | C23 | C22 | C21 | 179.8° | 180.0° |
| N25 | C26 | C22 | C23 | 0.1° | 0.0° |
| N25 | C26 | C22 | N27 | 180.0° | 180.0° |
| N25 | C26 | C22 | C21 | 179.9° | 180.0° |
| N25 | C26 | N27 | C28 | 180.0° | 179.8° |
| C26 | N25 | C29 | H15 | 102.3° | 17.8° |
| C23 | C22 | C26 | C21 | 180.0° | 180.0° |
| C23 | C22 | C26 | N27 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 179.9° | 180.0° |
| C23 | C22 | C21 | H12 | 0.1° | 0.0° |
| C22 | C26 | N27 | C28 | 0.0° | 0.2° |
| C26 | C22 | C21 | C20 | 0.1° | 0.0° |
| C26 | C22 | C21 | H12 | 179.9° | 180.0° |
| C26 | C22 | C23 | H13 | 179.8° | 179.9° |
| N27 | C26 | C22 | C21 | 0.1° | 0.1° |
| C26 | N27 | C28 | C20 | 0.3° | 0.5° |
| C26 | N27 | C28 | H14 | 179.7° | 180.0° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C22 | C21 | C20 | C28 | 0.4° | 0.2° |
| C22 | C21 | C20 | C18 | 179.5° | 180.0° |
| C21 | C22 | C23 | H13 | 0.2° | 0.1° |
| N27 | C28 | C20 | C21 | 0.5° | 0.5° |
| N27 | C28 | C20 | H14 | 180.0° | 179.5° |
| N27 | C28 | C20 | C18 | 179.6° | 179.7° |
| C21 | C20 | C28 | C18 | 179.1° | 179.8° |
| C21 | C20 | C18 | N17 | 3.3° | 180.0° |
| C21 | C20 | C18 | O19 | 175.9° | 0.0° |
| C21 | C20 | C28 | H14 | 179.5° | 180.0° |
| C28 | C20 | C18 | N17 | 177.6° | 0.2° |
| C28 | C20 | C18 | O19 | 3.2° | 179.8° |
| C28 | C20 | C21 | H12 | 179.7° | 179.8° |
| C20 | C18 | N17 | O19 | 179.1° | 180.0° |
| C20 | C18 | N17 | C16 | 178.4° | 180.0° |
| C20 | C18 | N17 | H11 | 1.7° | 0.0° |
| C18 | C20 | C21 | H12 | 0.6° | 0.0° |
| C18 | C20 | C28 | H14 | 0.4° | 0.2° |
| C18 | N17 | C16 | H11 | 180.0° | 180.0° |
| C18 | N17 | C16 | C13 | 75.3° | 180.0° |
| C18 | N17 | C16 | H9 | 45.4° | 60.0° |
| C18 | N17 | C16 | H10 | 164.0° | 60.0° |
| O19 | C18 | N17 | C16 | 0.8° | 0.0° |
| O19 | C18 | N17 | H11 | 179.2° | 180.0° |
| N17 | C16 | C13 | H9 | 120.7° | 120.0° |
| N17 | C16 | C13 | H10 | 120.7° | 120.0° |
| N17 | C16 | C13 | C14 | 63.8° | 90.0° |
| N17 | C16 | C13 | C12 | 117.8° | 90.0° |
| N17 | C16 | H9 | H10 | 117.8° | 120.0° |
| C16 | C13 | C14 | C12 | 178.4° | 180.0° |
| C16 | C13 | C14 | C15 | 179.3° | 179.7° |
| C16 | C13 | C12 | C11 | 178.9° | 180.0° |
| C16 | C13 | C12 | H6 | 1.1° | 0.0° |
| C16 | C13 | C14 | H7 | 0.7° | 0.0° |
| C13 | C16 | H9 | H10 | 117.9° | 120.0° |
| C13 | C16 | N17 | H11 | 104.7° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.8° |
| C13 | C14 | C15 | C10 | 0.3° | 0.6° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C14 | C13 | C12 | H6 | 179.5° | 180.0° |
| C13 | C14 | C15 | H8 | 179.7° | 180.0° |
| C14 | C13 | C16 | H9 | 175.5° | 30.0° |
| C14 | C13 | C16 | H10 | 56.9° | 150.0° |
| C15 | C14 | C13 | C12 | 0.9° | 0.2° |
| C14 | C15 | C10 | H8 | 180.0° | 179.4° |
| C14 | C15 | C10 | C11 | 0.6° | 0.6° |
| C14 | C15 | C10 | S7 | 178.7° | 179.7° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.1° |
| C13 | C12 | C11 | H5 | 179.6° | 180.0° |
| C12 | C13 | C14 | H7 | 179.1° | 180.0° |
| C12 | C13 | C16 | H9 | 2.9° | 150.0° |
| C12 | C13 | C16 | H10 | 121.6° | 30.0° |
| C15 | C10 | C11 | C12 | 0.9° | 0.4° |
| C15 | C10 | S7 | O9 | 24.3° | 23.2° |
| C15 | C10 | C11 | S7 | 178.1° | 179.7° |
| C15 | C10 | S7 | O8 | 159.2° | 156.2° |
| C15 | C10 | S7 | C5 | 87.7° | 90.3° |
| C15 | C10 | C11 | H5 | 179.1° | 179.7° |
| C10 | C15 | C14 | H7 | 179.7° | 179.7° |
| C12 | C11 | C10 | H5 | 180.0° | 179.9° |
| C12 | C11 | C10 | S7 | 179.1° | 180.0° |
| O9 | S7 | C10 | C11 | 157.5° | 156.4° |
| O9 | S7 | C10 | O8 | 134.8° | 132.9° |
| O9 | S7 | C10 | C5 | 112.0° | 113.5° |
| O9 | S7 | O8 | C5 | 125.7° | 122.9° |
| O9 | S7 | C5 | C4 | 49.3° | 23.6° |
| O9 | S7 | C5 | C6 | 131.8° | 156.6° |
| C11 | C10 | S7 | O8 | 22.7° | 23.5° |
| C11 | C10 | S7 | C5 | 90.5° | 90.1° |
| C10 | C11 | C12 | H6 | 179.6° | 180.0° |
| C11 | C10 | C15 | H8 | 179.4° | 179.9° |
| C10 | S7 | O8 | C5 | 109.2° | 114.1° |
| C10 | S7 | C5 | C4 | 62.8° | 90.0° |
| C10 | S7 | C5 | C6 | 116.2° | 89.8° |
| S7 | C10 | C11 | H5 | 0.9° | 0.1° |
| S7 | C10 | C15 | H8 | 1.3° | 0.3° |
| O8 | S7 | C5 | C4 | 175.4° | 156.4° |
| O8 | S7 | C5 | C6 | 3.5° | 23.8° |
| S7 | C5 | C4 | C6 | 178.9° | 179.8° |
| S7 | C5 | C4 | C3 | 179.5° | 180.0° |
| S7 | C5 | C6 | C1 | 179.4° | 179.7° |
| S7 | C5 | C4 | H3 | 0.5° | 0.2° |
| S7 | C5 | C6 | H4 | 0.6° | 0.2° |
| F49 | C46 | C3 | C4 | 21.6° | 60.0° |
| F49 | C46 | F48 | C3 | 120.6° | 120.0° |
| F49 | C46 | F48 | F47 | 118.4° | 120.1° |
| F49 | C46 | C3 | F47 | 119.7° | 120.0° |
| F49 | C46 | C3 | C2 | 158.7° | 120.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C5 | C4 | C3 | C46 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.5° |
| C4 | C5 | C6 | H4 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.2° |
| C4 | C3 | C46 | F48 | 98.5° | 180.0° |
| C4 | C3 | C46 | C2 | 179.7° | 180.0° |
| C4 | C3 | C46 | F47 | 141.3° | 60.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C5 | C6 | C1 | H4 | 180.0° | 179.6° |
| C5 | C6 | C1 | C2 | 0.2° | 0.5° |
| C5 | C6 | C1 | H1 | 179.8° | 179.8° |
| C6 | C5 | C4 | H3 | 179.4° | 180.0° |
| F48 | C46 | C3 | F47 | 120.2° | 120.0° |
| F48 | C46 | C3 | C2 | 81.2° | 0.0° |
| C46 | C3 | C2 | C1 | 179.8° | 179.9° |
| C46 | C3 | C2 | H2 | 0.2° | 0.0° |
| C46 | C3 | C4 | H3 | 0.1° | 0.2° |
| F47 | C46 | C3 | C2 | 39.1° | 120.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 179.5° | 179.8° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | H2 | 180.0° | 179.8° |
| C2 | C1 | C6 | H4 | 179.8° | 179.9° |
| H1 | C1 | C2 | H2 | 0.0° | 0.0° |
| H1 | C1 | C6 | H4 | 0.2° | 0.2° |
| H5 | C11 | C12 | H6 | 0.4° | 0.1° |
| H7 | C14 | C15 | H8 | 0.3° | 0.2° |
| H9 | C16 | N17 | H11 | 134.6° | 120.0° |
| H10 | C16 | N17 | H11 | 16.0° | 120.0° |
| H15 | C29 | C31 | H16 | 111.9° | 160.2° |
| H16 | C31 | C33 | H17 | 18.1° | 21.3° |
| H16 | C31 | O45 | H24 | 58.7° | 56.3° |
| H17 | C33 | C35 | H18 | 139.0° | 123.9° |
| H17 | C33 | O44 | H23 | 57.3° | 61.1° |
| H18 | C35 | C38 | H19 | 82.0° | 65.3° |
| H18 | C35 | C38 | H20 | 157.5° | 174.7° |
