4J7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | O36 | sing | 1.43Å | 1.42Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C40 | O41 | sing | 1.43Å | 1.43Å | |
| O36 | C5 | sing | 1.36Å | 1.38Å | |
| C39 | N38 | sing | 1.47Å | 1.48Å | |
| N31 | N32 | sing | 1.40Å | 1.35Å | Aromatic |
| N31 | C30 | sing | 1.36Å | 1.31Å | Aromatic |
| O41 | C42 | sing | 1.43Å | 1.42Å | |
| N29 | C30 | sing | 1.39Å | 1.44Å | |
| N29 | C4 | sing | 1.39Å | 1.42Å | |
| N32 | C33 | doub | 1.31Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C30 | C34 | doub | 1.36Å | 1.41Å | Aromatic |
| N38 | C6 | sing | 1.39Å | 1.38Å | |
| N38 | C43 | sing | 1.47Å | 1.47Å | |
| C4 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C6 | N1 | doub | 1.33Å | 1.31Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.36Å | Aromatic |
| C33 | C35 | sing | 1.51Å | 1.50Å | |
| N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | S7 | sing | 1.76Å | 1.74Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| S7 | C8 | sing | 1.76Å | 1.76Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| O16 | S15 | doub | 1.42Å | 1.45Å | |
| C11 | S15 | sing | 1.76Å | 1.75Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | F14 | sing | 1.35Å | 1.34Å | |
| S15 | O17 | doub | 1.42Å | 1.45Å | |
| S15 | C18 | sing | 1.81Å | 1.77Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| F25 | C20 | sing | 1.35Å | 1.34Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | N26 | sing | 1.48Å | 1.48Å | |
| N26 | O27 | sing | 1.22Å | 1.26Å | |
| N26 | O28 | doub | 1.22Å | 1.26Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C37 | H6 | sing | 1.09Å | 1.10Å | |
| C37 | H7 | sing | 1.09Å | 1.10Å | |
| C37 | H8 | sing | 1.09Å | 1.10Å | |
| N29 | H9 | sing | 0.97Å | 1.00Å | |
| N31 | H10 | sing | 0.97Å | 1.00Å | |
| C35 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C43 | H18 | sing | 1.09Å | 1.10Å | |
| C43 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C42 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | O36 | C5 | 109.9° | 117.0° |
| O36 | C37 | H6 | 109.5° | 109.4° |
| O36 | C37 | H7 | 109.5° | 109.5° |
| O36 | C37 | H8 | 109.5° | 109.4° |
| C39 | C40 | O41 | 108.2° | 109.3° |
| C40 | C39 | N38 | 107.9° | 109.2° |
| C39 | C40 | H22 | 109.8° | 109.5° |
| C39 | C40 | H23 | 109.8° | 109.5° |
| C40 | C39 | H24 | 109.8° | 109.5° |
| C40 | C39 | H25 | 109.9° | 109.5° |
| C40 | O41 | C42 | 111.9° | 113.7° |
| O41 | C40 | H22 | 109.8° | 109.5° |
| O41 | C40 | H23 | 109.8° | 109.6° |
| O36 | C5 | C4 | 121.1° | 120.8° |
| O36 | C5 | C6 | 120.4° | 120.8° |
| C39 | N38 | C6 | 116.2° | 111.0° |
| C39 | N38 | C43 | 117.5° | 110.7° |
| N38 | C39 | H24 | 109.9° | 109.5° |
| N38 | C39 | H25 | 109.8° | 109.5° |
| N32 | N31 | C30 | 105.0° | 107.8° |
| N31 | N32 | C33 | 109.3° | 108.5° |
| N32 | N31 | H10 | 127.5° | 126.2° |
| N31 | C30 | N29 | 118.9° | 126.2° |
| N31 | C30 | C34 | 114.8° | 107.5° |
| C30 | N31 | H10 | 127.5° | 126.1° |
| O41 | C42 | C43 | 108.6° | 109.2° |
| O41 | C42 | H20 | 109.7° | 109.5° |
| O41 | C42 | H21 | 109.7° | 109.5° |
| C30 | N29 | C4 | 123.1° | 120.0° |
| N29 | C30 | C34 | 126.3° | 126.3° |
| C30 | N29 | H9 | 118.4° | 120.0° |
| N29 | C4 | C5 | 115.7° | 120.5° |
| N29 | C4 | N3 | 123.1° | 120.4° |
| C4 | N29 | H9 | 118.4° | 120.0° |
| N32 | C33 | C34 | 109.2° | 108.4° |
| N32 | C33 | C35 | 119.0° | 125.8° |
| C4 | C5 | C6 | 118.5° | 118.4° |
| C5 | C4 | N3 | 121.2° | 119.1° |
| C5 | C6 | N38 | 121.4° | 120.4° |
| C5 | C6 | N1 | 120.8° | 119.1° |
| C30 | C34 | C33 | 101.6° | 107.8° |
| C30 | C34 | H14 | 129.2° | 126.1° |
| C6 | N38 | C43 | 114.4° | 111.0° |
| N38 | C6 | N1 | 117.8° | 120.5° |
| N38 | C43 | C42 | 107.8° | 109.2° |
| N38 | C43 | H18 | 109.9° | 109.5° |
| N38 | C43 | H19 | 109.9° | 109.5° |
| C4 | N3 | C2 | 115.8° | 120.8° |
| C42 | C43 | H18 | 109.9° | 109.5° |
| C42 | C43 | H19 | 109.9° | 109.5° |
| C43 | C42 | H20 | 109.7° | 109.5° |
| C43 | C42 | H21 | 109.7° | 109.5° |
| C6 | N1 | C2 | 117.6° | 120.9° |
| C34 | C33 | C35 | 131.8° | 125.8° |
| C33 | C34 | H14 | 129.2° | 126.1° |
| C33 | C35 | H11 | 109.5° | 109.5° |
| C33 | C35 | H12 | 109.5° | 109.5° |
| C33 | C35 | H13 | 109.5° | 109.5° |
| N3 | C2 | N1 | 126.1° | 121.8° |
| N3 | C2 | S7 | 121.7° | 119.1° |
| N1 | C2 | S7 | 112.2° | 119.1° |
| C2 | S7 | C8 | 104.8° | 103.0° |
| C12 | C13 | C8 | 116.9° | 120.0° |
| C13 | C12 | C11 | 121.6° | 120.1° |
| C13 | C12 | H1 | 119.2° | 119.9° |
| C12 | C13 | H2 | 121.6° | 120.1° |
| C13 | C8 | S7 | 120.6° | 120.1° |
| C13 | C8 | C9 | 120.6° | 119.8° |
| C8 | C13 | H2 | 121.5° | 120.0° |
| S7 | C8 | C9 | 118.8° | 120.1° |
| C12 | C11 | S15 | 118.3° | 119.9° |
| C12 | C11 | C10 | 122.1° | 120.2° |
| C11 | C12 | H1 | 119.2° | 120.0° |
| C8 | C9 | C10 | 123.1° | 119.9° |
| C8 | C9 | F14 | 117.3° | 120.0° |
| O16 | S15 | C11 | 109.9° | 104.3° |
| O16 | S15 | O17 | 115.9° | 121.1° |
| O16 | S15 | C18 | 106.7° | 110.5° |
| S15 | C11 | C10 | 119.6° | 119.9° |
| C11 | S15 | O17 | 110.5° | 104.3° |
| C11 | S15 | C18 | 101.2° | 104.4° |
| C11 | C10 | C9 | 115.7° | 120.0° |
| C11 | C10 | H15 | 122.1° | 119.9° |
| C10 | C9 | F14 | 119.6° | 120.1° |
| C9 | C10 | H15 | 122.1° | 120.0° |
| O17 | S15 | C18 | 111.7° | 110.5° |
| S15 | C18 | C19 | 112.2° | 109.5° |
| S15 | C18 | H16 | 108.8° | 109.5° |
| S15 | C18 | H17 | 108.8° | 109.5° |
| C18 | C19 | C24 | 122.0° | 120.0° |
| C18 | C19 | C20 | 119.3° | 120.0° |
| C19 | C18 | H16 | 108.8° | 109.4° |
| C19 | C18 | H17 | 108.8° | 109.5° |
| C24 | C19 | C20 | 118.7° | 120.0° |
| C19 | C24 | C23 | 120.4° | 120.0° |
| C19 | C24 | H5 | 119.8° | 120.0° |
| C19 | C20 | F25 | 119.0° | 120.0° |
| C19 | C20 | C21 | 121.1° | 119.9° |
| C24 | C23 | C22 | 120.8° | 120.0° |
| C24 | C23 | H4 | 119.6° | 120.0° |
| C23 | C24 | H5 | 119.8° | 120.0° |
| F25 | C20 | C21 | 120.0° | 120.0° |
| C20 | C21 | C22 | 120.8° | 120.0° |
| C20 | C21 | N26 | 118.4° | 120.0° |
| C23 | C22 | C21 | 118.3° | 120.0° |
| C23 | C22 | H3 | 120.9° | 120.0° |
| C22 | C23 | H4 | 119.6° | 120.0° |
| C22 | C21 | N26 | 120.8° | 120.0° |
| C21 | C22 | H3 | 120.9° | 120.0° |
| C21 | N26 | O27 | 121.9° | 120.0° |
| C21 | N26 | O28 | 120.0° | 120.0° |
| O27 | N26 | O28 | 118.1° | 120.0° |
| H6 | C37 | H7 | 109.5° | 109.5° |
| H6 | C37 | H8 | 109.5° | 109.4° |
| H7 | C37 | H8 | 109.4° | 109.5° |
| H11 | C35 | H12 | 109.4° | 109.4° |
| H11 | C35 | H13 | 109.5° | 109.4° |
| H12 | C35 | H13 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C43 | H19 | 109.5° | 109.5° |
| H20 | C42 | H21 | 109.5° | 109.6° |
| H22 | C40 | H23 | 109.5° | 109.5° |
| H24 | C39 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | O36 | C5 | C4 | 105.5° | 85.4° |
| C37 | O36 | C5 | C6 | 74.9° | 94.3° |
| O36 | C37 | H6 | H7 | 120.0° | 120.0° |
| O36 | C37 | H6 | H8 | 120.0° | 119.9° |
| O36 | C37 | H7 | H8 | 120.0° | 120.0° |
| C39 | C40 | O41 | H22 | 119.8° | 119.9° |
| C39 | C40 | O41 | H23 | 119.8° | 120.0° |
| C40 | C39 | N38 | H24 | 119.8° | 119.9° |
| C40 | C39 | N38 | H25 | 119.8° | 120.0° |
| C39 | C40 | O41 | C42 | 66.7° | 58.7° |
| C40 | C39 | N38 | C6 | 168.8° | 177.6° |
| C40 | C39 | N38 | C43 | 50.5° | 58.7° |
| C39 | C40 | H22 | H23 | 120.6° | 120.1° |
| C40 | C39 | H24 | H25 | 120.7° | 120.1° |
| O41 | C40 | C39 | N38 | 54.5° | 56.9° |
| C40 | O41 | C42 | C43 | 67.0° | 58.7° |
| C40 | O41 | C42 | H20 | 52.9° | 178.6° |
| C40 | O41 | C42 | H21 | 173.2° | 61.2° |
| O41 | C40 | H22 | H23 | 120.6° | 120.2° |
| O41 | C40 | C39 | H24 | 65.3° | 176.8° |
| O41 | C40 | C39 | H25 | 174.2° | 63.1° |
| O36 | C5 | C4 | N29 | 0.1° | 0.0° |
| O36 | C5 | C4 | C6 | 179.6° | 179.7° |
| O36 | C5 | C6 | N38 | 0.6° | 0.0° |
| O36 | C5 | C4 | N3 | 180.0° | 179.9° |
| O36 | C5 | C6 | N1 | 179.7° | 179.8° |
| C5 | O36 | C37 | H6 | 180.0° | 175.1° |
| C5 | O36 | C37 | H7 | 60.0° | 55.0° |
| C5 | O36 | C37 | H8 | 60.0° | 65.0° |
| C39 | N38 | C6 | C5 | 43.2° | 119.9° |
| C39 | N38 | C6 | C43 | 141.9° | 123.6° |
| C39 | N38 | C43 | C42 | 50.4° | 58.7° |
| C39 | N38 | C6 | N1 | 137.0° | 59.9° |
| C39 | N38 | C43 | H18 | 69.3° | 61.3° |
| C39 | N38 | C43 | H19 | 170.1° | 178.6° |
| N38 | C39 | C40 | H22 | 65.3° | 176.8° |
| N38 | C39 | C40 | H23 | 174.3° | 63.1° |
| N38 | C39 | H24 | H25 | 120.7° | 120.1° |
| N32 | N31 | C30 | H10 | 180.0° | 180.0° |
| N32 | N31 | C30 | N29 | 179.7° | 180.0° |
| N32 | N31 | C30 | C34 | 0.3° | 0.2° |
| N31 | N32 | C33 | C34 | 0.4° | 0.3° |
| N31 | N32 | C33 | C35 | 180.0° | 180.0° |
| N31 | C30 | N29 | C34 | 179.3° | 179.8° |
| N31 | C30 | N29 | C4 | 165.7° | 173.2° |
| C30 | N31 | N32 | C33 | 0.4° | 0.1° |
| N31 | C30 | C34 | C33 | 0.1° | 0.3° |
| N31 | C30 | N29 | H9 | 14.3° | 6.9° |
| N31 | C30 | C34 | H14 | 179.9° | 179.8° |
| O41 | C42 | C43 | N38 | 54.8° | 56.9° |
| O41 | C42 | C43 | H20 | 119.9° | 119.9° |
| O41 | C42 | C43 | H21 | 119.9° | 120.0° |
| O41 | C42 | C43 | H18 | 64.9° | 63.1° |
| O41 | C42 | C43 | H19 | 174.5° | 176.8° |
| O41 | C42 | H20 | H21 | 120.4° | 120.1° |
| C42 | O41 | C40 | H22 | 53.1° | 178.6° |
| C42 | O41 | C40 | H23 | 173.5° | 61.3° |
| C30 | N29 | C4 | H9 | 180.0° | 179.9° |
| C30 | N29 | C4 | C5 | 178.8° | 175.0° |
| C30 | N29 | C4 | N3 | 1.4° | 4.8° |
| N29 | C30 | C34 | C33 | 179.4° | 179.9° |
| N29 | C30 | N31 | H10 | 0.3° | 0.0° |
| N29 | C30 | C34 | H14 | 0.6° | 0.0° |
| N29 | C4 | C5 | N3 | 179.9° | 179.9° |
| N29 | C4 | C5 | C6 | 179.5° | 179.7° |
| C4 | N29 | C30 | C34 | 14.9° | 6.5° |
| N29 | C4 | N3 | C2 | 179.4° | 180.0° |
| N32 | C33 | C34 | C30 | 0.2° | 0.4° |
| N32 | C33 | C34 | C35 | 179.5° | 179.8° |
| C33 | N32 | N31 | H10 | 179.6° | 180.0° |
| N32 | C33 | C35 | H11 | 0.0° | 95.0° |
| N32 | C33 | C35 | H12 | 120.0° | 145.0° |
| N32 | C33 | C35 | H13 | 120.0° | 25.0° |
| N32 | C33 | C34 | H14 | 179.8° | 179.7° |
| C4 | C5 | C6 | N38 | 179.8° | 179.7° |
| C4 | C5 | C6 | N1 | 0.1° | 0.5° |
| C5 | C4 | N3 | C2 | 0.4° | 0.1° |
| C5 | C4 | N29 | H9 | 1.2° | 5.0° |
| C5 | C6 | N38 | N1 | 179.7° | 179.8° |
| C5 | C6 | N38 | C43 | 174.9° | 116.5° |
| C6 | C5 | C4 | N3 | 0.4° | 0.2° |
| C5 | C6 | N1 | C2 | 0.2° | 0.5° |
| C30 | C34 | C33 | H14 | 180.0° | 179.9° |
| C30 | C34 | C33 | C35 | 179.7° | 179.9° |
| C34 | C30 | N29 | H9 | 165.0° | 173.4° |
| C34 | C30 | N31 | H10 | 179.7° | 179.8° |
| C6 | N38 | C43 | C42 | 168.2° | 177.6° |
| N38 | C6 | N1 | C2 | 179.6° | 179.7° |
| C6 | N38 | C43 | H18 | 72.1° | 62.4° |
| C6 | N38 | C43 | H19 | 48.5° | 57.7° |
| C6 | N38 | C39 | H24 | 71.5° | 57.7° |
| C6 | N38 | C39 | H25 | 49.0° | 62.4° |
| N38 | C43 | C42 | H18 | 119.8° | 120.0° |
| N38 | C43 | C42 | H19 | 119.7° | 119.9° |
| C43 | N38 | C6 | N1 | 4.9° | 63.7° |
| N38 | C43 | H18 | H19 | 120.8° | 120.1° |
| N38 | C43 | C42 | H20 | 65.0° | 176.8° |
| N38 | C43 | C42 | H21 | 174.7° | 63.0° |
| C43 | N38 | C39 | H24 | 69.3° | 178.6° |
| C43 | N38 | C39 | H25 | 170.2° | 61.3° |
| C4 | N3 | C2 | N1 | 0.2° | 0.1° |
| C4 | N3 | C2 | S7 | 179.6° | 179.9° |
| N3 | C4 | N29 | H9 | 178.7° | 175.1° |
| C42 | C43 | H18 | H19 | 120.8° | 120.1° |
| C43 | C42 | H20 | H21 | 120.4° | 120.1° |
| C6 | N1 | C2 | N3 | 0.1° | 0.2° |
| C6 | N1 | C2 | S7 | 179.4° | 179.8° |
| C34 | C33 | C35 | H11 | 179.5° | 84.7° |
| C34 | C33 | C35 | H12 | 60.5° | 35.2° |
| C34 | C33 | C35 | H13 | 59.5° | 155.3° |
| C33 | C35 | H11 | H12 | 120.0° | 120.0° |
| C33 | C35 | H11 | H13 | 120.0° | 120.1° |
| C33 | C35 | H12 | H13 | 120.0° | 120.0° |
| C35 | C33 | C34 | H14 | 0.3° | 0.0° |
| N3 | C2 | N1 | S7 | 179.5° | 179.9° |
| N3 | C2 | S7 | C8 | 9.4° | 174.3° |
| N1 | C2 | S7 | C8 | 171.0° | 5.6° |
| C2 | S7 | C8 | C13 | 64.1° | 37.9° |
| C2 | S7 | C8 | C9 | 117.5° | 142.0° |
| C12 | C13 | C8 | H2 | 180.0° | 180.0° |
| C12 | C13 | C8 | S7 | 179.4° | 180.0° |
| C13 | C12 | C11 | H1 | 180.0° | 179.8° |
| C12 | C13 | C8 | C9 | 1.1° | 0.0° |
| C13 | C12 | C11 | S15 | 179.0° | 179.7° |
| C13 | C12 | C11 | C10 | 0.9° | 0.2° |
| C13 | C8 | S7 | C9 | 178.4° | 179.9° |
| C8 | C13 | C12 | C11 | 0.3° | 0.0° |
| C13 | C8 | C9 | C10 | 0.8° | 0.3° |
| C13 | C8 | C9 | F14 | 179.7° | 180.0° |
| C8 | C13 | C12 | H1 | 179.8° | 179.8° |
| S7 | C8 | C9 | C10 | 179.2° | 179.8° |
| S7 | C8 | C9 | F14 | 1.3° | 0.1° |
| S7 | C8 | C13 | H2 | 0.6° | 0.1° |
| C12 | C11 | S15 | O16 | 10.2° | 31.0° |
| C12 | C11 | S15 | C10 | 178.1° | 179.9° |
| C12 | C11 | C10 | C9 | 1.2° | 0.5° |
| C12 | C11 | S15 | O17 | 139.3° | 158.9° |
| C12 | C11 | S15 | C18 | 102.3° | 85.1° |
| C11 | C12 | C13 | H2 | 179.8° | 180.0° |
| C12 | C11 | C10 | H15 | 178.8° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.6° |
| C8 | C9 | C10 | F14 | 179.5° | 179.7° |
| C9 | C8 | C13 | H2 | 179.0° | 180.0° |
| C8 | C9 | C10 | H15 | 179.7° | 180.0° |
| O16 | S15 | C11 | O17 | 129.1° | 127.9° |
| O16 | S15 | C11 | C18 | 112.5° | 116.1° |
| O16 | S15 | C11 | C10 | 171.6° | 148.9° |
| O16 | S15 | O17 | C18 | 122.4° | 131.6° |
| O16 | S15 | C18 | C19 | 151.5° | 63.5° |
| O16 | S15 | C18 | H16 | 88.1° | 56.5° |
| O16 | S15 | C18 | H17 | 31.1° | 176.5° |
| S15 | C11 | C10 | C9 | 179.2° | 179.4° |
| C11 | S15 | O17 | C18 | 111.8° | 111.7° |
| C11 | S15 | C18 | C19 | 93.6° | 175.1° |
| S15 | C11 | C12 | H1 | 1.0° | 0.1° |
| S15 | C11 | C10 | H15 | 0.8° | 0.1° |
| C11 | S15 | C18 | H16 | 26.8° | 55.1° |
| C11 | S15 | C18 | H17 | 146.0° | 64.9° |
| C11 | C10 | C9 | H15 | 180.0° | 179.4° |
| C11 | C10 | C9 | F14 | 179.1° | 179.7° |
| C10 | C11 | S15 | O17 | 42.5° | 21.0° |
| C10 | C11 | S15 | C18 | 75.9° | 95.0° |
| C10 | C11 | C12 | H1 | 179.0° | 180.0° |
| F14 | C9 | C10 | H15 | 0.9° | 0.3° |
| O17 | S15 | C18 | C19 | 24.0° | 73.3° |
| O17 | S15 | C18 | H16 | 144.4° | 166.7° |
| O17 | S15 | C18 | H17 | 96.4° | 46.7° |
| S15 | C18 | C19 | H16 | 120.4° | 120.0° |
| S15 | C18 | C19 | H17 | 120.4° | 120.0° |
| S15 | C18 | C19 | C24 | 69.6° | 90.0° |
| S15 | C18 | C19 | C20 | 111.4° | 90.2° |
| S15 | C18 | H16 | H17 | 118.7° | 120.1° |
| C18 | C19 | C24 | C20 | 179.0° | 179.8° |
| C18 | C19 | C24 | C23 | 179.4° | 179.9° |
| C18 | C19 | C20 | F25 | 0.6° | 0.1° |
| C18 | C19 | C20 | C21 | 179.3° | 180.0° |
| C18 | C19 | C24 | H5 | 0.5° | 0.1° |
| C19 | C18 | H16 | H17 | 118.8° | 120.0° |
| C19 | C24 | C23 | H5 | 180.0° | 180.0° |
| C24 | C19 | C20 | F25 | 179.7° | 179.7° |
| C24 | C19 | C20 | C21 | 0.3° | 0.2° |
| C19 | C24 | C23 | C22 | 0.3° | 0.0° |
| C19 | C24 | C23 | H4 | 179.7° | 180.0° |
| C24 | C19 | C18 | H16 | 50.8° | 30.1° |
| C24 | C19 | C18 | H17 | 170.0° | 150.0° |
| C20 | C19 | C24 | C23 | 0.4° | 0.2° |
| C19 | C20 | F25 | C21 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | N26 | 179.5° | 180.0° |
| C20 | C19 | C24 | H5 | 179.6° | 179.7° |
| C20 | C19 | C18 | H16 | 128.2° | 149.8° |
| C20 | C19 | C18 | H17 | 9.0° | 29.8° |
| C24 | C23 | C22 | H4 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.2° | 0.2° |
| C24 | C23 | C22 | H3 | 179.9° | 180.0° |
| F25 | C20 | C21 | C22 | 179.8° | 180.0° |
| F25 | C20 | C21 | N26 | 0.4° | 0.1° |
| C20 | C21 | C22 | C23 | 0.1° | 0.3° |
| C20 | C21 | C22 | N26 | 179.4° | 180.0° |
| C20 | C21 | N26 | O27 | 137.6° | 180.0° |
| C20 | C21 | N26 | O28 | 42.8° | 0.0° |
| C20 | C21 | C22 | H3 | 180.0° | 180.0° |
| C23 | C22 | C21 | H3 | 180.0° | 179.7° |
| C23 | C22 | C21 | N26 | 179.5° | 179.8° |
| C22 | C23 | C24 | H5 | 179.6° | 179.9° |
| C22 | C21 | N26 | O27 | 43.0° | 0.1° |
| C22 | C21 | N26 | O28 | 136.7° | 180.0° |
| C21 | C22 | C23 | H4 | 179.8° | 179.7° |
| C21 | N26 | O27 | O28 | 179.7° | 179.9° |
| N26 | C21 | C22 | H3 | 0.6° | 0.0° |
| H1 | C12 | C13 | H2 | 0.2° | 0.3° |
| H3 | C22 | C23 | H4 | 0.1° | 0.0° |
| H4 | C23 | C24 | H5 | 0.4° | 0.0° |
| H6 | C37 | H7 | H8 | 120.0° | 120.0° |
| H11 | C35 | H12 | H13 | 120.0° | 119.9° |
| H18 | C43 | C42 | H20 | 175.2° | 56.8° |
| H18 | C43 | C42 | H21 | 54.9° | 177.0° |
| H19 | C43 | C42 | H20 | 54.7° | 63.3° |
| H19 | C43 | C42 | H21 | 65.6° | 56.8° |
| H22 | C40 | C39 | H24 | 174.9° | 63.3° |
| H22 | C40 | C39 | H25 | 54.4° | 56.8° |
| H23 | C40 | C39 | H24 | 54.5° | 56.8° |
| H23 | C40 | C39 | H25 | 66.0° | 176.9° |
